USER MOD reduce.3.24.130724 H: found=0, std=0, add=1721, rem=0, adj=65 USER MOD reduce.3.24.130724 removed 1727 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 16 HIS : no HE2:sc= 0.0243 K(o=2.6,f=-13!) USER MOD Set 1.2: B 92 SER OG : rot -59:sc= 1.41 USER MOD Set 1.3: B 108 CYS SG : rot 109:sc= 1.15 USER MOD Set 2.1: B 73 SER OG : rot 180:sc= 0.997 USER MOD Set 2.2: B 91 SER OG : rot -74:sc= 1.15 USER MOD Set 3.1: B 14 SER OG : rot -78:sc= 1.14 USER MOD Set 3.2: B 90 THR OG1 : rot -91:sc= 1.06 USER MOD Set 3.3: B 110 ASN : amide:sc= 0.356 K(o=2.5,f=-2.8!) USER MOD Set 4.1: B 8 GLN : amide:sc= -1.22 K(o=-1.2,f=-5.1!) USER MOD Set 4.2: B 27 HIS : no HD1:sc= 0 X(o=-1.2,f=-1.4) USER MOD Set 5.1: A 100 CYS SG : rot 180:sc= -0.0934 USER MOD Set 5.2: B 111 THR OG1 : rot -80:sc= 0.682 USER MOD Set 6.1: A 92 ASN : amide:sc= 0.958 K(o=1.4,f=-8!) USER MOD Set 6.2: A 97 GLN : amide:sc= -1.37 K(o=1.4,f=0.65!) USER MOD Set 6.3: A 99 GLN : amide:sc= 1.82 K(o=1.4,f=-8!) USER MOD Set 7.1: A 65 GLN : amide:sc= 0.813 K(o=1.3,f=0.51) USER MOD Set 7.2: A 88 THR OG1 : rot 100:sc= 0.483 USER MOD Set 7.3: B 70 GLN : amide:sc= -0.0436 K(o=1.3,f=-3.4!) USER MOD Set 8.1: A 10 SER OG : rot 126:sc= 1.12 USER MOD Set 8.2: A 71 TYR OH : rot -156:sc= 2.27 USER MOD Set 8.3: A 85 THR OG1 : rot -10:sc= 0.878 USER MOD Set 8.4: A 105 ASN : amide:sc= -0.0282! K(o=4.2!,f=2.9) USER MOD Set 9.1: A 46 HIS : no HE2:sc= 0.351 K(o=0.35,f=-8!) USER MOD Set 9.2: A 53 MET CE :methyl 157:sc= 0 (180deg=-0.552) USER MOD Set10.1: A 42 TYR OH : rot 96:sc= 0.73 USER MOD Set10.2: A 57 HIS : no HD1:sc= -0.251 X(o=0.48,f=0.61) USER MOD Set11.1: A 13 SER OG : rot -103:sc= 0.835 USER MOD Set11.2: A 19 THR OG1 : rot -162:sc= 1.26 USER MOD Set12.1: A 12 HIS : no HE2:sc= 1.62 K(o=2.4,f=-7.1!) USER MOD Set12.2: A 45 TYR OH : rot -142:sc= 1.27 USER MOD Set12.3: A 103 CYS SG : rot 180:sc= -0.471 USER MOD Single : A 6 LYS NZ :NH3+ -167:sc= 1.22 (180deg=1.14) USER MOD Single : A 7 THR OG1 : rot -147:sc= 1.27 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 154:sc= -0.0942 (180deg=-1.72) USER MOD Single : A 17 LYS NZ :NH3+ -171:sc= 1.26 (180deg=1.14) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.0252 USER MOD Single : A 21 CYS SG : rot -57:sc= -1.61! USER MOD Single : A 26 THR OG1 : rot 89:sc= 1.16 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= 0.396 K(o=0.4,f=-5.5!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.155 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 54 THR OG1 : rot -160:sc= -0.71 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 1.13 (180deg=1.13) USER MOD Single : A 56 SER OG : rot 102:sc= 1.29 USER MOD Single : A 58 GLN : amide:sc= 0.0159 X(o=0.016,f=-0.36) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 CYS SG : rot -26:sc= 0.14 USER MOD Single : A 62 THR OG1 : rot 82:sc= 1.22 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.704 X(o=-0.7,f=-0.33) USER MOD Single : A 73 MET CE :methyl 180:sc= -0.763 (180deg=-0.763) USER MOD Single : A 76 LYS NZ :NH3+ -156:sc= 0.368 (180deg=0.152) USER MOD Single : A 77 HIS : no HE2:sc= -0.0277 K(o=-0.028,f=-1.1) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.433 K(o=-0.43,f=-5.6!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc=-0.00939 K(o=-0.0094,f=0.72) USER MOD Single : A 102 MET CE :methyl -168:sc= 0 (180deg=-0.194) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= -0.794 USER MOD Single : B 7 CYS SG : rot 180:sc= 0 USER MOD Single : B 10 THR OG1 : rot -170:sc= 0.0567 USER MOD Single : B 17 ASN : amide:sc= 0.545 K(o=0.55,f=-6.6!) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0.0361 USER MOD Single : B 29 CYS SG : rot 97:sc= 1.06 USER MOD Single : B 32 THR OG1 : rot -33:sc= 0.0856 USER MOD Single : B 35 TYR OH : rot 165:sc= 0.544 USER MOD Single : B 36 GLN : amide:sc= -2.06! K(o=-2.1!,f=-0.4) USER MOD Single : B 38 GLN : amide:sc= 0.808 K(o=0.81,f=-5.3!) USER MOD Single : B 43 LYS NZ :NH3+ 176:sc= 1.05 (180deg=0.996) USER MOD Single : B 44 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : B 49 CYS SG : rot 69:sc= -1.03! USER MOD Single : B 50 HIS : no HE2:sc= -0.878! C(o=-0.88!,f=-5.8!) USER MOD Single : B 54 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.67) USER MOD Single : B 55 GLN : amide:sc= -0.181 K(o=-0.18,f=-4.4!) USER MOD Single : B 60 SER OG : rot 89:sc= 1.27 USER MOD Single : B 62 GLN : amide:sc= -0.869 K(o=-0.87,f=-0.27) USER MOD Single : B 63 GLN : amide:sc= 0.0949 X(o=0.095,f=0) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ -104:sc= 1.24 (180deg=0.474) USER MOD Single : B 75 MET CE :methyl -113:sc= -3.97! (180deg=-4.93!) USER MOD Single : B 80 SER OG : rot -180:sc= 0.316 USER MOD Single : B 81 LYS NZ :NH3+ 157:sc= 1.2 (180deg=1.07) USER MOD Single : B 82 ASN : amide:sc= 1.16 K(o=1.2,f=-0.13) USER MOD Single : B 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 88 MET CE :methyl -123:sc= -0.012 (180deg=-0.23) USER MOD Single : B 94 THR OG1 : rot -148:sc= 1.25 USER MOD Single : B 96 GLN : amide:sc= 0.976 K(o=0.98,f=-1) USER MOD Single : B 97 ASN : amide:sc= -2.78! C(o=-2.8!,f=-5.2!) USER MOD Single : B 99 TYR OH : rot 82:sc= 0.335 USER MOD Single : B 100 SER OG : rot 180:sc= 0 USER MOD Single : B 105 TYR OH : rot -142:sc= 1.05 USER MOD Single : B 109 THR OG1 : rot -94:sc= 0.632 USER MOD Single : B 112 ASN : amide:sc= -0.848! C(o=-0.85!,f=-6.9!) USER MOD Single : B 114 LYS NZ :NH3+ 146:sc= 1.29 (180deg=1.04) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 6 -8.995 12.194 2.387 1.00 0.00 N ATOM 2 CA LYS A 6 -8.060 11.197 2.947 1.00 0.00 C ATOM 3 C LYS A 6 -7.894 10.024 1.993 1.00 0.00 C ATOM 4 O LYS A 6 -8.758 9.767 1.150 1.00 0.00 O ATOM 5 CB LYS A 6 -8.567 10.696 4.300 1.00 0.00 C ATOM 6 CG LYS A 6 -8.453 11.728 5.406 1.00 0.00 C ATOM 7 CD LYS A 6 -9.041 11.213 6.708 1.00 0.00 C ATOM 8 CE LYS A 6 -8.958 12.265 7.800 1.00 0.00 C ATOM 9 NZ LYS A 6 -9.765 11.897 8.991 1.00 0.00 N ATOM 0 HA LYS A 6 -7.091 11.677 3.085 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.610 10.395 4.200 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.004 9.807 4.584 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.405 11.988 5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.969 12.641 5.108 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.081 10.927 6.553 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.507 10.316 7.022 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.917 12.400 8.095 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.305 13.221 7.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.862 12.724 9.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.708 11.580 8.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.291 11.128 9.507 1.00 0.00 H new ATOM 25 N THR A 7 -6.779 9.323 2.124 1.00 0.00 N ATOM 26 CA THR A 7 -6.492 8.173 1.284 1.00 0.00 C ATOM 27 C THR A 7 -5.805 7.079 2.099 1.00 0.00 C ATOM 28 O THR A 7 -4.850 7.354 2.826 1.00 0.00 O ATOM 29 CB THR A 7 -5.584 8.573 0.103 1.00 0.00 C ATOM 30 OG1 THR A 7 -5.810 9.947 -0.245 1.00 0.00 O ATOM 31 CG2 THR A 7 -5.853 7.694 -1.104 1.00 0.00 C ATOM 0 H THR A 7 -6.054 9.533 2.810 1.00 0.00 H new ATOM 0 HA THR A 7 -7.438 7.797 0.895 1.00 0.00 H new ATOM 0 HB THR A 7 -4.546 8.440 0.409 1.00 0.00 H new ATOM 0 HG1 THR A 7 -5.687 10.064 -1.210 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.202 7.994 -1.925 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.657 6.653 -0.847 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.894 7.803 -1.409 1.00 0.00 H new ATOM 39 N PHE A 8 -6.297 5.846 1.995 1.00 0.00 N ATOM 40 CA PHE A 8 -5.707 4.733 2.733 1.00 0.00 C ATOM 41 C PHE A 8 -5.509 3.525 1.820 1.00 0.00 C ATOM 42 O PHE A 8 -6.047 3.481 0.710 1.00 0.00 O ATOM 43 CB PHE A 8 -6.550 4.380 3.967 1.00 0.00 C ATOM 44 CG PHE A 8 -7.829 3.646 3.689 1.00 0.00 C ATOM 45 CD1 PHE A 8 -8.958 4.326 3.274 1.00 0.00 C ATOM 46 CD2 PHE A 8 -7.906 2.275 3.872 1.00 0.00 C ATOM 47 CE1 PHE A 8 -10.140 3.652 3.041 1.00 0.00 C ATOM 48 CE2 PHE A 8 -9.084 1.598 3.643 1.00 0.00 C ATOM 49 CZ PHE A 8 -10.204 2.287 3.226 1.00 0.00 C ATOM 0 H PHE A 8 -7.095 5.594 1.412 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.725 5.041 3.091 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.942 3.774 4.639 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.789 5.302 4.498 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.915 5.396 3.130 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.032 1.730 4.198 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -11.015 4.194 2.714 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.130 0.529 3.790 1.00 0.00 H new ATOM 0 HZ PHE A 8 -11.128 1.759 3.045 1.00 0.00 H new ATOM 59 N LEU A 9 -4.738 2.553 2.286 1.00 0.00 N ATOM 60 CA LEU A 9 -4.430 1.371 1.493 1.00 0.00 C ATOM 61 C LEU A 9 -5.173 0.123 1.971 1.00 0.00 C ATOM 62 O LEU A 9 -4.981 -0.345 3.095 1.00 0.00 O ATOM 63 CB LEU A 9 -2.915 1.118 1.530 1.00 0.00 C ATOM 64 CG LEU A 9 -2.333 0.305 0.365 1.00 0.00 C ATOM 65 CD1 LEU A 9 -2.491 -1.187 0.609 1.00 0.00 C ATOM 66 CD2 LEU A 9 -2.988 0.702 -0.948 1.00 0.00 C ATOM 0 H LEU A 9 -4.313 2.560 3.213 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.764 1.567 0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.408 2.082 1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.677 0.602 2.460 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.268 0.527 0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.071 -1.740 -0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.967 -1.464 1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.549 -1.429 0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.561 0.114 -1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.060 0.516 -0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.813 1.761 -1.136 1.00 0.00 H new ATOM 78 N SER A 10 -6.012 -0.418 1.100 1.00 0.00 N ATOM 79 CA SER A 10 -6.747 -1.637 1.393 1.00 0.00 C ATOM 80 C SER A 10 -6.072 -2.796 0.668 1.00 0.00 C ATOM 81 O SER A 10 -6.335 -3.038 -0.510 1.00 0.00 O ATOM 82 CB SER A 10 -8.203 -1.513 0.939 1.00 0.00 C ATOM 83 OG SER A 10 -8.734 -0.243 1.263 1.00 0.00 O ATOM 0 H SER A 10 -6.201 -0.027 0.177 1.00 0.00 H new ATOM 0 HA SER A 10 -6.744 -1.813 2.469 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.266 -1.672 -0.137 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.802 -2.292 1.412 1.00 0.00 H new ATOM 0 HG SER A 10 -9.100 0.174 0.455 1.00 0.00 H new ATOM 89 N ARG A 11 -5.183 -3.496 1.355 1.00 0.00 N ATOM 90 CA ARG A 11 -4.465 -4.602 0.742 1.00 0.00 C ATOM 91 C ARG A 11 -5.321 -5.858 0.673 1.00 0.00 C ATOM 92 O ARG A 11 -6.003 -6.223 1.631 1.00 0.00 O ATOM 93 CB ARG A 11 -3.171 -4.895 1.496 1.00 0.00 C ATOM 94 CG ARG A 11 -2.346 -5.989 0.844 1.00 0.00 C ATOM 95 CD ARG A 11 -1.018 -6.185 1.546 1.00 0.00 C ATOM 96 NE ARG A 11 -0.230 -7.239 0.919 1.00 0.00 N ATOM 97 CZ ARG A 11 1.098 -7.244 0.874 1.00 0.00 C ATOM 98 NH1 ARG A 11 1.794 -6.249 1.416 1.00 0.00 N ATOM 99 NH2 ARG A 11 1.734 -8.238 0.278 1.00 0.00 N ATOM 0 H ARG A 11 -4.943 -3.320 2.330 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.221 -4.301 -0.277 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.576 -3.984 1.555 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.410 -5.187 2.519 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.906 -6.924 0.858 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.171 -5.738 -0.202 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.456 -5.251 1.530 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.192 -6.434 2.593 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.728 -8.019 0.489 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.309 -5.475 1.870 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.813 -6.260 1.378 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.205 -9.000 -0.147 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.753 -8.243 0.243 1.00 0.00 H new ATOM 113 N HIS A 12 -5.282 -6.507 -0.478 1.00 0.00 N ATOM 114 CA HIS A 12 -6.028 -7.731 -0.703 1.00 0.00 C ATOM 115 C HIS A 12 -5.109 -8.764 -1.337 1.00 0.00 C ATOM 116 O HIS A 12 -4.143 -8.405 -2.004 1.00 0.00 O ATOM 117 CB HIS A 12 -7.240 -7.473 -1.609 1.00 0.00 C ATOM 118 CG HIS A 12 -8.302 -6.626 -0.978 1.00 0.00 C ATOM 119 ND1 HIS A 12 -9.296 -7.138 -0.174 1.00 0.00 N ATOM 120 CD2 HIS A 12 -8.520 -5.290 -1.034 1.00 0.00 C ATOM 121 CE1 HIS A 12 -10.078 -6.160 0.235 1.00 0.00 C ATOM 122 NE2 HIS A 12 -9.631 -5.026 -0.271 1.00 0.00 N ATOM 0 H HIS A 12 -4.733 -6.200 -1.281 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.397 -8.104 0.253 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -6.900 -6.989 -2.525 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.676 -8.430 -1.897 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -9.409 -8.123 0.068 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.930 -4.567 -1.578 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -10.940 -6.268 0.877 1.00 0.00 H new ATOM 131 N SER A 13 -5.374 -10.037 -1.105 1.00 0.00 N ATOM 132 CA SER A 13 -4.550 -11.091 -1.681 1.00 0.00 C ATOM 133 C SER A 13 -5.367 -12.360 -1.879 1.00 0.00 C ATOM 134 O SER A 13 -6.414 -12.529 -1.250 1.00 0.00 O ATOM 135 CB SER A 13 -3.340 -11.375 -0.786 1.00 0.00 C ATOM 136 OG SER A 13 -2.654 -10.174 -0.459 1.00 0.00 O ATOM 0 H SER A 13 -6.147 -10.367 -0.527 1.00 0.00 H new ATOM 0 HA SER A 13 -4.192 -10.753 -2.654 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.668 -11.871 0.128 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.660 -12.059 -1.294 1.00 0.00 H new ATOM 0 HG SER A 13 -1.842 -10.103 -1.002 1.00 0.00 H new ATOM 142 N MET A 14 -4.888 -13.232 -2.765 1.00 0.00 N ATOM 143 CA MET A 14 -5.551 -14.501 -3.063 1.00 0.00 C ATOM 144 C MET A 14 -6.990 -14.267 -3.528 1.00 0.00 C ATOM 145 O MET A 14 -7.217 -13.639 -4.565 1.00 0.00 O ATOM 146 CB MET A 14 -5.516 -15.430 -1.839 1.00 0.00 C ATOM 147 CG MET A 14 -4.165 -16.090 -1.601 1.00 0.00 C ATOM 148 SD MET A 14 -2.911 -14.939 -1.005 1.00 0.00 S ATOM 149 CE MET A 14 -1.549 -16.060 -0.698 1.00 0.00 C ATOM 0 H MET A 14 -4.031 -13.079 -3.296 1.00 0.00 H new ATOM 0 HA MET A 14 -5.010 -14.986 -3.875 1.00 0.00 H new ATOM 0 HB2 MET A 14 -5.790 -14.857 -0.953 1.00 0.00 H new ATOM 0 HB3 MET A 14 -6.271 -16.206 -1.963 1.00 0.00 H new ATOM 0 HG2 MET A 14 -4.284 -16.896 -0.877 1.00 0.00 H new ATOM 0 HG3 MET A 14 -3.821 -16.544 -2.530 1.00 0.00 H new ATOM 0 HE1 MET A 14 -0.693 -15.499 -0.323 1.00 0.00 H new ATOM 0 HE2 MET A 14 -1.848 -16.802 0.042 1.00 0.00 H new ATOM 0 HE3 MET A 14 -1.275 -16.563 -1.626 1.00 0.00 H new ATOM 159 N ASP A 15 -7.955 -14.734 -2.743 1.00 0.00 N ATOM 160 CA ASP A 15 -9.375 -14.574 -3.067 1.00 0.00 C ATOM 161 C ASP A 15 -9.871 -13.188 -2.652 1.00 0.00 C ATOM 162 O ASP A 15 -11.022 -13.017 -2.254 1.00 0.00 O ATOM 163 CB ASP A 15 -10.211 -15.665 -2.383 1.00 0.00 C ATOM 164 CG ASP A 15 -9.978 -15.734 -0.887 1.00 0.00 C ATOM 165 OD1 ASP A 15 -8.864 -16.130 -0.475 1.00 0.00 O ATOM 166 OD2 ASP A 15 -10.906 -15.411 -0.117 1.00 0.00 O ATOM 0 H ASP A 15 -7.781 -15.231 -1.870 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.490 -14.673 -4.146 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.268 -15.479 -2.573 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.973 -16.631 -2.828 1.00 0.00 H new ATOM 171 N MET A 16 -8.977 -12.210 -2.761 1.00 0.00 N ATOM 172 CA MET A 16 -9.260 -10.816 -2.423 1.00 0.00 C ATOM 173 C MET A 16 -9.538 -10.642 -0.932 1.00 0.00 C ATOM 174 O MET A 16 -10.173 -9.670 -0.519 1.00 0.00 O ATOM 175 CB MET A 16 -10.431 -10.270 -3.249 1.00 0.00 C ATOM 176 CG MET A 16 -10.341 -8.774 -3.502 1.00 0.00 C ATOM 177 SD MET A 16 -11.643 -8.164 -4.587 1.00 0.00 S ATOM 178 CE MET A 16 -11.058 -6.500 -4.907 1.00 0.00 C ATOM 0 H MET A 16 -8.024 -12.363 -3.090 1.00 0.00 H new ATOM 0 HA MET A 16 -8.367 -10.242 -2.669 1.00 0.00 H new ATOM 0 HB2 MET A 16 -10.467 -10.792 -4.205 1.00 0.00 H new ATOM 0 HB3 MET A 16 -11.365 -10.489 -2.731 1.00 0.00 H new ATOM 0 HG2 MET A 16 -10.392 -8.246 -2.550 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.371 -8.543 -3.942 1.00 0.00 H new ATOM 0 HE1 MET A 16 -11.447 -6.155 -5.865 1.00 0.00 H new ATOM 0 HE2 MET A 16 -11.402 -5.835 -4.115 1.00 0.00 H new ATOM 0 HE3 MET A 16 -9.968 -6.497 -4.936 1.00 0.00 H new ATOM 188 N LYS A 17 -9.041 -11.565 -0.121 1.00 0.00 N ATOM 189 CA LYS A 17 -9.236 -11.479 1.320 1.00 0.00 C ATOM 190 C LYS A 17 -8.347 -10.387 1.903 1.00 0.00 C ATOM 191 O LYS A 17 -7.442 -9.886 1.228 1.00 0.00 O ATOM 192 CB LYS A 17 -8.956 -12.819 2.008 1.00 0.00 C ATOM 193 CG LYS A 17 -7.663 -13.491 1.579 1.00 0.00 C ATOM 194 CD LYS A 17 -7.163 -14.445 2.652 1.00 0.00 C ATOM 195 CE LYS A 17 -6.415 -15.628 2.057 1.00 0.00 C ATOM 196 NZ LYS A 17 -7.334 -16.715 1.626 1.00 0.00 N ATOM 0 H LYS A 17 -8.505 -12.375 -0.432 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.281 -11.227 1.503 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.928 -12.660 3.086 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.786 -13.496 1.807 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.823 -14.036 0.649 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.905 -12.734 1.378 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.507 -13.908 3.337 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.008 -14.807 3.238 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.827 -15.292 1.203 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.713 -16.019 2.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.780 -17.557 1.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.982 -16.951 2.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.884 -16.399 0.802 1.00 0.00 H new ATOM 210 N PHE A 18 -8.610 -10.010 3.143 1.00 0.00 N ATOM 211 CA PHE A 18 -7.834 -8.968 3.794 1.00 0.00 C ATOM 212 C PHE A 18 -6.575 -9.539 4.436 1.00 0.00 C ATOM 213 O PHE A 18 -6.637 -10.214 5.466 1.00 0.00 O ATOM 214 CB PHE A 18 -8.678 -8.249 4.847 1.00 0.00 C ATOM 215 CG PHE A 18 -9.205 -6.917 4.394 1.00 0.00 C ATOM 216 CD1 PHE A 18 -8.360 -5.978 3.825 1.00 0.00 C ATOM 217 CD2 PHE A 18 -10.546 -6.605 4.538 1.00 0.00 C ATOM 218 CE1 PHE A 18 -8.842 -4.752 3.411 1.00 0.00 C ATOM 219 CE2 PHE A 18 -11.035 -5.380 4.125 1.00 0.00 C ATOM 220 CZ PHE A 18 -10.183 -4.453 3.561 1.00 0.00 C ATOM 0 H PHE A 18 -9.353 -10.408 3.718 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.534 -8.251 3.030 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -9.518 -8.887 5.124 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -8.077 -8.105 5.745 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -7.312 -6.208 3.704 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -11.218 -7.327 4.978 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.172 -4.028 2.971 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -12.083 -5.149 4.244 1.00 0.00 H new ATOM 0 HZ PHE A 18 -10.563 -3.495 3.237 1.00 0.00 H new ATOM 230 N THR A 19 -5.440 -9.284 3.806 1.00 0.00 N ATOM 231 CA THR A 19 -4.158 -9.745 4.314 1.00 0.00 C ATOM 232 C THR A 19 -3.521 -8.672 5.189 1.00 0.00 C ATOM 233 O THR A 19 -2.851 -8.965 6.178 1.00 0.00 O ATOM 234 CB THR A 19 -3.209 -10.090 3.155 1.00 0.00 C ATOM 235 OG1 THR A 19 -3.560 -9.312 1.998 1.00 0.00 O ATOM 236 CG2 THR A 19 -3.276 -11.572 2.824 1.00 0.00 C ATOM 0 H THR A 19 -5.381 -8.756 2.935 1.00 0.00 H new ATOM 0 HA THR A 19 -4.331 -10.641 4.910 1.00 0.00 H new ATOM 0 HB THR A 19 -2.189 -9.854 3.458 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.162 -9.717 1.199 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.596 -11.792 2.001 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.987 -12.154 3.699 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.293 -11.834 2.534 1.00 0.00 H new ATOM 244 N TYR A 20 -3.750 -7.424 4.810 1.00 0.00 N ATOM 245 CA TYR A 20 -3.224 -6.279 5.531 1.00 0.00 C ATOM 246 C TYR A 20 -4.247 -5.158 5.461 1.00 0.00 C ATOM 247 O TYR A 20 -4.948 -5.025 4.456 1.00 0.00 O ATOM 248 CB TYR A 20 -1.898 -5.829 4.916 1.00 0.00 C ATOM 249 CG TYR A 20 -0.899 -5.292 5.916 1.00 0.00 C ATOM 250 CD1 TYR A 20 -0.071 -6.153 6.624 1.00 0.00 C ATOM 251 CD2 TYR A 20 -0.775 -3.926 6.142 1.00 0.00 C ATOM 252 CE1 TYR A 20 0.852 -5.670 7.530 1.00 0.00 C ATOM 253 CE2 TYR A 20 0.145 -3.435 7.048 1.00 0.00 C ATOM 254 CZ TYR A 20 0.956 -4.312 7.738 1.00 0.00 C ATOM 255 OH TYR A 20 1.879 -3.831 8.636 1.00 0.00 O ATOM 0 H TYR A 20 -4.307 -7.178 3.992 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.038 -6.547 6.571 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.450 -6.672 4.390 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.099 -5.059 4.171 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.150 -7.218 6.463 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.408 -3.238 5.601 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.489 -6.353 8.073 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.229 -2.371 7.215 1.00 0.00 H new ATOM 0 HH TYR A 20 1.827 -2.853 8.666 1.00 0.00 H new ATOM 265 N CYS A 21 -4.348 -4.363 6.511 1.00 0.00 N ATOM 266 CA CYS A 21 -5.316 -3.280 6.531 1.00 0.00 C ATOM 267 C CYS A 21 -4.694 -1.980 7.013 1.00 0.00 C ATOM 268 O CYS A 21 -3.677 -1.982 7.708 1.00 0.00 O ATOM 269 CB CYS A 21 -6.501 -3.661 7.414 1.00 0.00 C ATOM 270 SG CYS A 21 -7.211 -5.269 7.003 1.00 0.00 S ATOM 0 H CYS A 21 -3.778 -4.445 7.353 1.00 0.00 H new ATOM 0 HA CYS A 21 -5.662 -3.118 5.510 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.181 -3.669 8.456 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.273 -2.897 7.323 1.00 0.00 H new ATOM 0 HG CYS A 21 -7.566 -5.280 5.752 1.00 0.00 H new ATOM 276 N ASP A 22 -5.320 -0.881 6.630 1.00 0.00 N ATOM 277 CA ASP A 22 -4.856 0.447 6.994 1.00 0.00 C ATOM 278 C ASP A 22 -5.410 0.860 8.354 1.00 0.00 C ATOM 279 O ASP A 22 -6.360 0.260 8.857 1.00 0.00 O ATOM 280 CB ASP A 22 -5.303 1.448 5.930 1.00 0.00 C ATOM 281 CG ASP A 22 -4.415 2.667 5.855 1.00 0.00 C ATOM 282 OD1 ASP A 22 -4.370 3.439 6.838 1.00 0.00 O ATOM 283 OD2 ASP A 22 -3.772 2.866 4.807 1.00 0.00 O ATOM 0 H ASP A 22 -6.164 -0.884 6.058 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.768 0.434 7.056 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.316 0.955 4.958 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.325 1.762 6.142 1.00 0.00 H new ATOM 288 N ASP A 23 -4.826 1.897 8.933 1.00 0.00 N ATOM 289 CA ASP A 23 -5.258 2.401 10.228 1.00 0.00 C ATOM 290 C ASP A 23 -6.197 3.588 10.037 1.00 0.00 C ATOM 291 O ASP A 23 -6.938 3.970 10.946 1.00 0.00 O ATOM 292 CB ASP A 23 -4.049 2.810 11.083 1.00 0.00 C ATOM 293 CG ASP A 23 -3.544 4.211 10.780 1.00 0.00 C ATOM 294 OD1 ASP A 23 -2.931 4.412 9.712 1.00 0.00 O ATOM 295 OD2 ASP A 23 -3.745 5.116 11.621 1.00 0.00 O ATOM 0 H ASP A 23 -4.045 2.410 8.523 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.791 1.606 10.750 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.321 2.749 12.137 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.241 2.097 10.921 1.00 0.00 H new ATOM 300 N ARG A 24 -6.174 4.158 8.836 1.00 0.00 N ATOM 301 CA ARG A 24 -7.014 5.305 8.503 1.00 0.00 C ATOM 302 C ARG A 24 -8.468 4.891 8.300 1.00 0.00 C ATOM 303 O ARG A 24 -9.373 5.726 8.336 1.00 0.00 O ATOM 304 CB ARG A 24 -6.499 5.985 7.235 1.00 0.00 C ATOM 305 CG ARG A 24 -5.084 6.523 7.356 1.00 0.00 C ATOM 306 CD ARG A 24 -5.026 7.752 8.247 1.00 0.00 C ATOM 307 NE ARG A 24 -3.973 8.672 7.827 1.00 0.00 N ATOM 308 CZ ARG A 24 -4.106 9.555 6.839 1.00 0.00 C ATOM 309 NH1 ARG A 24 -5.254 9.658 6.182 1.00 0.00 N ATOM 310 NH2 ARG A 24 -3.088 10.337 6.511 1.00 0.00 N ATOM 0 H ARG A 24 -5.578 3.841 8.071 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.967 6.002 9.340 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.537 5.272 6.411 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.168 6.806 6.977 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.433 5.748 7.761 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.703 6.773 6.366 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.988 8.264 8.224 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.852 7.446 9.279 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.081 8.636 8.320 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.041 9.059 6.433 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.350 10.336 5.426 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.204 10.262 7.015 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.188 11.014 5.755 1.00 0.00 H new ATOM 324 N ILE A 25 -8.691 3.600 8.100 1.00 0.00 N ATOM 325 CA ILE A 25 -10.034 3.080 7.876 1.00 0.00 C ATOM 326 C ILE A 25 -10.888 3.152 9.147 1.00 0.00 C ATOM 327 O ILE A 25 -12.118 3.079 9.087 1.00 0.00 O ATOM 328 CB ILE A 25 -9.986 1.626 7.350 1.00 0.00 C ATOM 329 CG1 ILE A 25 -11.336 1.229 6.745 1.00 0.00 C ATOM 330 CG2 ILE A 25 -9.584 0.658 8.458 1.00 0.00 C ATOM 331 CD1 ILE A 25 -11.308 -0.090 6.003 1.00 0.00 C ATOM 0 H ILE A 25 -7.958 2.891 8.088 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.500 3.711 7.119 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.230 1.572 6.567 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -12.078 1.172 7.542 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.662 2.013 6.062 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.558 -0.357 8.062 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.597 0.926 8.835 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.310 0.712 9.270 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -12.299 -0.304 5.603 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.591 -0.032 5.184 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -11.013 -0.886 6.687 1.00 0.00 H new ATOM 343 N THR A 26 -10.235 3.329 10.290 1.00 0.00 N ATOM 344 CA THR A 26 -10.928 3.405 11.571 1.00 0.00 C ATOM 345 C THR A 26 -11.807 4.656 11.671 1.00 0.00 C ATOM 346 O THR A 26 -12.797 4.669 12.401 1.00 0.00 O ATOM 347 CB THR A 26 -9.923 3.391 12.738 1.00 0.00 C ATOM 348 OG1 THR A 26 -8.780 2.601 12.383 1.00 0.00 O ATOM 349 CG2 THR A 26 -10.562 2.826 13.998 1.00 0.00 C ATOM 0 H THR A 26 -9.221 3.423 10.356 1.00 0.00 H new ATOM 0 HA THR A 26 -11.572 2.528 11.635 1.00 0.00 H new ATOM 0 HB THR A 26 -9.613 4.417 12.937 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.117 3.167 11.935 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.832 2.827 14.808 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.417 3.441 14.279 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.895 1.805 13.811 1.00 0.00 H new ATOM 357 N GLU A 27 -11.455 5.699 10.926 1.00 0.00 N ATOM 358 CA GLU A 27 -12.223 6.942 10.953 1.00 0.00 C ATOM 359 C GLU A 27 -13.351 6.920 9.928 1.00 0.00 C ATOM 360 O GLU A 27 -14.266 7.746 9.970 1.00 0.00 O ATOM 361 CB GLU A 27 -11.319 8.142 10.667 1.00 0.00 C ATOM 362 CG GLU A 27 -10.118 8.247 11.589 1.00 0.00 C ATOM 363 CD GLU A 27 -9.443 9.597 11.493 1.00 0.00 C ATOM 364 OE1 GLU A 27 -8.834 9.890 10.445 1.00 0.00 O ATOM 365 OE2 GLU A 27 -9.538 10.384 12.458 1.00 0.00 O ATOM 0 H GLU A 27 -10.650 5.711 10.300 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.651 7.033 11.951 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.968 8.082 9.637 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.908 9.055 10.750 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.435 8.073 12.617 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.401 7.465 11.340 1.00 0.00 H new ATOM 372 N LEU A 28 -13.286 5.968 9.013 1.00 0.00 N ATOM 373 CA LEU A 28 -14.279 5.860 7.959 1.00 0.00 C ATOM 374 C LEU A 28 -15.266 4.737 8.245 1.00 0.00 C ATOM 375 O LEU A 28 -16.440 4.983 8.523 1.00 0.00 O ATOM 376 CB LEU A 28 -13.576 5.624 6.622 1.00 0.00 C ATOM 377 CG LEU A 28 -12.298 6.437 6.425 1.00 0.00 C ATOM 378 CD1 LEU A 28 -11.500 5.898 5.256 1.00 0.00 C ATOM 379 CD2 LEU A 28 -12.627 7.906 6.213 1.00 0.00 C ATOM 0 H LEU A 28 -12.555 5.258 8.979 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.843 6.792 7.914 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.334 4.565 6.535 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.269 5.860 5.815 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.692 6.347 7.326 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.593 6.490 5.131 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.232 4.859 5.447 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.100 5.957 4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.704 8.469 6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.254 8.014 5.328 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.159 8.289 7.084 1.00 0.00 H new ATOM 391 N ILE A 29 -14.783 3.508 8.195 1.00 0.00 N ATOM 392 CA ILE A 29 -15.628 2.352 8.439 1.00 0.00 C ATOM 393 C ILE A 29 -15.812 2.142 9.935 1.00 0.00 C ATOM 394 O ILE A 29 -16.882 1.742 10.394 1.00 0.00 O ATOM 395 CB ILE A 29 -15.034 1.077 7.800 1.00 0.00 C ATOM 396 CG1 ILE A 29 -14.878 1.259 6.286 1.00 0.00 C ATOM 397 CG2 ILE A 29 -15.902 -0.137 8.102 1.00 0.00 C ATOM 398 CD1 ILE A 29 -16.154 1.672 5.583 1.00 0.00 C ATOM 0 H ILE A 29 -13.810 3.285 7.988 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.597 2.544 7.979 1.00 0.00 H new ATOM 0 HB ILE A 29 -14.049 0.907 8.234 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.111 2.010 6.097 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -14.522 0.324 5.852 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -15.463 -1.022 7.641 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -15.963 -0.282 9.181 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -16.903 0.022 7.700 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -15.963 1.781 4.515 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -16.918 0.911 5.739 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -16.501 2.623 5.988 1.00 0.00 H new ATOM 410 N GLY A 30 -14.764 2.433 10.692 1.00 0.00 N ATOM 411 CA GLY A 30 -14.823 2.270 12.131 1.00 0.00 C ATOM 412 C GLY A 30 -14.253 0.942 12.567 1.00 0.00 C ATOM 413 O GLY A 30 -14.197 0.636 13.758 1.00 0.00 O ATOM 0 H GLY A 30 -13.873 2.779 10.336 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.271 3.078 12.612 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.858 2.349 12.464 1.00 0.00 H new ATOM 417 N TYR A 31 -13.830 0.155 11.595 1.00 0.00 N ATOM 418 CA TYR A 31 -13.257 -1.150 11.857 1.00 0.00 C ATOM 419 C TYR A 31 -11.764 -1.029 12.105 1.00 0.00 C ATOM 420 O TYR A 31 -11.099 -0.170 11.527 1.00 0.00 O ATOM 421 CB TYR A 31 -13.510 -2.087 10.677 1.00 0.00 C ATOM 422 CG TYR A 31 -14.538 -3.159 10.953 1.00 0.00 C ATOM 423 CD1 TYR A 31 -14.173 -4.358 11.555 1.00 0.00 C ATOM 424 CD2 TYR A 31 -15.870 -2.977 10.609 1.00 0.00 C ATOM 425 CE1 TYR A 31 -15.108 -5.343 11.807 1.00 0.00 C ATOM 426 CE2 TYR A 31 -16.811 -3.957 10.858 1.00 0.00 C ATOM 427 CZ TYR A 31 -16.425 -5.138 11.457 1.00 0.00 C ATOM 428 OH TYR A 31 -17.361 -6.116 11.709 1.00 0.00 O ATOM 0 H TYR A 31 -13.874 0.402 10.606 1.00 0.00 H new ATOM 0 HA TYR A 31 -13.733 -1.563 12.746 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -13.837 -1.497 9.821 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -12.570 -2.563 10.396 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -13.142 -4.522 11.830 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -16.176 -2.054 10.139 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -14.809 -6.269 12.276 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -17.844 -3.799 10.585 1.00 0.00 H new ATOM 0 HH TYR A 31 -18.241 -5.813 11.403 1.00 0.00 H new ATOM 438 N HIS A 32 -11.251 -1.879 12.973 1.00 0.00 N ATOM 439 CA HIS A 32 -9.835 -1.882 13.291 1.00 0.00 C ATOM 440 C HIS A 32 -9.078 -2.709 12.261 1.00 0.00 C ATOM 441 O HIS A 32 -9.582 -3.731 11.797 1.00 0.00 O ATOM 442 CB HIS A 32 -9.605 -2.444 14.696 1.00 0.00 C ATOM 443 CG HIS A 32 -9.174 -1.410 15.691 1.00 0.00 C ATOM 444 ND1 HIS A 32 -8.076 -1.562 16.506 1.00 0.00 N ATOM 445 CD2 HIS A 32 -9.705 -0.205 16.001 1.00 0.00 C ATOM 446 CE1 HIS A 32 -7.949 -0.497 17.274 1.00 0.00 C ATOM 447 NE2 HIS A 32 -8.925 0.342 16.987 1.00 0.00 N ATOM 0 H HIS A 32 -11.797 -2.581 13.474 1.00 0.00 H new ATOM 0 HA HIS A 32 -9.465 -0.857 13.266 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.525 -2.912 15.046 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.848 -3.226 14.646 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -7.456 -2.372 16.515 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.581 0.243 15.555 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -7.177 -0.339 18.012 1.00 0.00 H new ATOM 456 N PRO A 33 -7.863 -2.274 11.885 1.00 0.00 N ATOM 457 CA PRO A 33 -7.030 -2.970 10.899 1.00 0.00 C ATOM 458 C PRO A 33 -6.891 -4.467 11.187 1.00 0.00 C ATOM 459 O PRO A 33 -7.116 -5.299 10.308 1.00 0.00 O ATOM 460 CB PRO A 33 -5.661 -2.273 11.008 1.00 0.00 C ATOM 461 CG PRO A 33 -5.750 -1.388 12.209 1.00 0.00 C ATOM 462 CD PRO A 33 -7.204 -1.061 12.379 1.00 0.00 C ATOM 0 HA PRO A 33 -7.470 -2.916 9.903 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.858 -3.002 11.118 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.444 -1.694 10.110 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.358 -1.891 13.093 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.161 -0.482 12.070 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -7.455 -0.858 13.420 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.492 -0.180 11.804 1.00 0.00 H new ATOM 470 N GLU A 34 -6.562 -4.803 12.428 1.00 0.00 N ATOM 471 CA GLU A 34 -6.381 -6.195 12.829 1.00 0.00 C ATOM 472 C GLU A 34 -7.703 -6.963 12.816 1.00 0.00 C ATOM 473 O GLU A 34 -7.715 -8.191 12.747 1.00 0.00 O ATOM 474 CB GLU A 34 -5.741 -6.271 14.220 1.00 0.00 C ATOM 475 CG GLU A 34 -6.663 -5.838 15.355 1.00 0.00 C ATOM 476 CD GLU A 34 -6.609 -4.348 15.640 1.00 0.00 C ATOM 477 OE1 GLU A 34 -6.229 -3.574 14.740 1.00 0.00 O ATOM 478 OE2 GLU A 34 -6.955 -3.941 16.768 1.00 0.00 O ATOM 0 H GLU A 34 -6.414 -4.128 13.178 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.716 -6.662 12.103 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.414 -7.295 14.402 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.849 -5.645 14.232 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.687 -6.116 15.107 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.394 -6.383 16.260 1.00 0.00 H new ATOM 485 N GLU A 35 -8.812 -6.239 12.872 1.00 0.00 N ATOM 486 CA GLU A 35 -10.130 -6.858 12.870 1.00 0.00 C ATOM 487 C GLU A 35 -10.583 -7.175 11.453 1.00 0.00 C ATOM 488 O GLU A 35 -11.390 -8.079 11.242 1.00 0.00 O ATOM 489 CB GLU A 35 -11.148 -5.941 13.544 1.00 0.00 C ATOM 490 CG GLU A 35 -11.149 -6.044 15.056 1.00 0.00 C ATOM 491 CD GLU A 35 -12.423 -6.664 15.587 1.00 0.00 C ATOM 492 OE1 GLU A 35 -12.713 -7.831 15.249 1.00 0.00 O ATOM 493 OE2 GLU A 35 -13.143 -5.989 16.349 1.00 0.00 O ATOM 0 H GLU A 35 -8.825 -5.220 12.919 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.062 -7.792 13.428 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.941 -4.910 13.258 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.144 -6.181 13.171 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.295 -6.640 15.378 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.024 -5.050 15.486 1.00 0.00 H new ATOM 500 N LEU A 36 -10.058 -6.435 10.489 1.00 0.00 N ATOM 501 CA LEU A 36 -10.420 -6.630 9.095 1.00 0.00 C ATOM 502 C LEU A 36 -9.604 -7.747 8.455 1.00 0.00 C ATOM 503 O LEU A 36 -10.135 -8.552 7.692 1.00 0.00 O ATOM 504 CB LEU A 36 -10.224 -5.332 8.315 1.00 0.00 C ATOM 505 CG LEU A 36 -11.159 -4.189 8.706 1.00 0.00 C ATOM 506 CD1 LEU A 36 -10.569 -2.855 8.282 1.00 0.00 C ATOM 507 CD2 LEU A 36 -12.529 -4.388 8.079 1.00 0.00 C ATOM 0 H LEU A 36 -9.378 -5.692 10.648 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.470 -6.919 9.062 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.195 -4.999 8.448 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.357 -5.541 7.254 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.272 -4.188 9.790 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.247 -2.050 8.567 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.607 -2.710 8.773 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.430 -2.846 7.201 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -13.184 -3.566 8.367 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.432 -4.412 6.994 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.955 -5.329 8.426 1.00 0.00 H new ATOM 519 N LEU A 37 -8.315 -7.802 8.766 1.00 0.00 N ATOM 520 CA LEU A 37 -7.451 -8.828 8.196 1.00 0.00 C ATOM 521 C LEU A 37 -7.746 -10.199 8.799 1.00 0.00 C ATOM 522 O LEU A 37 -8.062 -10.318 9.986 1.00 0.00 O ATOM 523 CB LEU A 37 -5.965 -8.463 8.366 1.00 0.00 C ATOM 524 CG LEU A 37 -5.529 -8.044 9.774 1.00 0.00 C ATOM 525 CD1 LEU A 37 -5.087 -9.249 10.590 1.00 0.00 C ATOM 526 CD2 LEU A 37 -4.404 -7.025 9.694 1.00 0.00 C ATOM 0 H LEU A 37 -7.849 -7.156 9.403 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.664 -8.879 7.128 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.365 -9.320 8.062 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.731 -7.650 7.679 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.385 -7.590 10.273 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.783 -8.923 11.585 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.914 -9.953 10.676 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.247 -9.735 10.095 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.103 -6.735 10.701 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.553 -7.463 9.173 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.748 -6.145 9.151 1.00 0.00 H new ATOM 538 N GLY A 38 -7.661 -11.226 7.964 1.00 0.00 N ATOM 539 CA GLY A 38 -7.908 -12.583 8.416 1.00 0.00 C ATOM 540 C GLY A 38 -9.348 -13.027 8.225 1.00 0.00 C ATOM 541 O GLY A 38 -9.735 -14.101 8.685 1.00 0.00 O ATOM 0 H GLY A 38 -7.424 -11.143 6.975 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.250 -13.264 7.876 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.648 -12.660 9.472 1.00 0.00 H new ATOM 545 N ARG A 39 -10.144 -12.213 7.547 1.00 0.00 N ATOM 546 CA ARG A 39 -11.544 -12.546 7.311 1.00 0.00 C ATOM 547 C ARG A 39 -11.936 -12.247 5.868 1.00 0.00 C ATOM 548 O ARG A 39 -11.162 -11.642 5.117 1.00 0.00 O ATOM 549 CB ARG A 39 -12.447 -11.762 8.269 1.00 0.00 C ATOM 550 CG ARG A 39 -12.623 -10.303 7.883 1.00 0.00 C ATOM 551 CD ARG A 39 -12.990 -9.447 9.080 1.00 0.00 C ATOM 552 NE ARG A 39 -14.414 -9.507 9.396 1.00 0.00 N ATOM 553 CZ ARG A 39 -14.934 -9.098 10.552 1.00 0.00 C ATOM 554 NH1 ARG A 39 -14.147 -8.646 11.522 1.00 0.00 N ATOM 555 NH2 ARG A 39 -16.244 -9.139 10.739 1.00 0.00 N ATOM 0 H ARG A 39 -9.848 -11.321 7.152 1.00 0.00 H new ATOM 0 HA ARG A 39 -11.674 -13.613 7.492 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -13.426 -12.240 8.305 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -12.029 -11.815 9.274 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.700 -9.930 7.438 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -13.400 -10.219 7.123 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.415 -9.774 9.946 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.708 -8.413 8.883 1.00 0.00 H new ATOM 0 HE ARG A 39 -15.047 -9.884 8.691 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -13.137 -8.610 11.384 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.553 -8.335 12.404 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -16.854 -9.484 9.998 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -16.643 -8.826 11.624 1.00 0.00 H new ATOM 569 N SER A 40 -13.136 -12.670 5.487 1.00 0.00 N ATOM 570 CA SER A 40 -13.638 -12.436 4.145 1.00 0.00 C ATOM 571 C SER A 40 -14.063 -10.978 4.000 1.00 0.00 C ATOM 572 O SER A 40 -14.866 -10.476 4.788 1.00 0.00 O ATOM 573 CB SER A 40 -14.818 -13.362 3.855 1.00 0.00 C ATOM 574 OG SER A 40 -14.510 -14.706 4.188 1.00 0.00 O ATOM 0 H SER A 40 -13.779 -13.179 6.094 1.00 0.00 H new ATOM 0 HA SER A 40 -12.846 -12.648 3.427 1.00 0.00 H new ATOM 0 HB2 SER A 40 -15.689 -13.034 4.423 1.00 0.00 H new ATOM 0 HB3 SER A 40 -15.083 -13.298 2.800 1.00 0.00 H new ATOM 0 HG SER A 40 -15.283 -15.276 3.994 1.00 0.00 H new ATOM 580 N ALA A 41 -13.524 -10.308 2.995 1.00 0.00 N ATOM 581 CA ALA A 41 -13.827 -8.907 2.758 1.00 0.00 C ATOM 582 C ALA A 41 -15.203 -8.735 2.123 1.00 0.00 C ATOM 583 O ALA A 41 -15.899 -7.756 2.386 1.00 0.00 O ATOM 584 CB ALA A 41 -12.752 -8.288 1.879 1.00 0.00 C ATOM 0 H ALA A 41 -12.870 -10.715 2.326 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.843 -8.393 3.719 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.985 -7.237 1.705 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.785 -8.368 2.376 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.714 -8.814 0.925 1.00 0.00 H new ATOM 590 N TYR A 42 -15.607 -9.709 1.313 1.00 0.00 N ATOM 591 CA TYR A 42 -16.901 -9.658 0.626 1.00 0.00 C ATOM 592 C TYR A 42 -18.083 -9.700 1.600 1.00 0.00 C ATOM 593 O TYR A 42 -19.231 -9.510 1.197 1.00 0.00 O ATOM 594 CB TYR A 42 -17.023 -10.811 -0.372 1.00 0.00 C ATOM 595 CG TYR A 42 -16.286 -10.578 -1.673 1.00 0.00 C ATOM 596 CD1 TYR A 42 -16.660 -9.552 -2.535 1.00 0.00 C ATOM 597 CD2 TYR A 42 -15.221 -11.390 -2.045 1.00 0.00 C ATOM 598 CE1 TYR A 42 -15.993 -9.343 -3.726 1.00 0.00 C ATOM 599 CE2 TYR A 42 -14.550 -11.187 -3.236 1.00 0.00 C ATOM 600 CZ TYR A 42 -14.941 -10.164 -4.073 1.00 0.00 C ATOM 601 OH TYR A 42 -14.278 -9.964 -5.262 1.00 0.00 O ATOM 0 H TYR A 42 -15.059 -10.546 1.114 1.00 0.00 H new ATOM 0 HA TYR A 42 -16.938 -8.705 0.098 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -16.643 -11.721 0.091 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -18.078 -10.981 -0.589 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -17.485 -8.909 -2.268 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -14.913 -12.193 -1.392 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -16.294 -8.540 -4.383 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -13.724 -11.826 -3.509 1.00 0.00 H new ATOM 0 HH TYR A 42 -13.476 -9.424 -5.103 1.00 0.00 H new ATOM 611 N GLU A 43 -17.804 -9.935 2.875 1.00 0.00 N ATOM 612 CA GLU A 43 -18.855 -10.004 3.887 1.00 0.00 C ATOM 613 C GLU A 43 -19.360 -8.612 4.263 1.00 0.00 C ATOM 614 O GLU A 43 -20.465 -8.464 4.785 1.00 0.00 O ATOM 615 CB GLU A 43 -18.352 -10.725 5.137 1.00 0.00 C ATOM 616 CG GLU A 43 -17.812 -12.118 4.862 1.00 0.00 C ATOM 617 CD GLU A 43 -18.816 -13.008 4.157 1.00 0.00 C ATOM 618 OE1 GLU A 43 -19.661 -13.617 4.843 1.00 0.00 O ATOM 619 OE2 GLU A 43 -18.762 -13.104 2.914 1.00 0.00 O ATOM 0 H GLU A 43 -16.861 -10.081 3.235 1.00 0.00 H new ATOM 0 HA GLU A 43 -19.685 -10.566 3.458 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -17.568 -10.126 5.601 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -19.167 -10.796 5.857 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -16.912 -12.040 4.253 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -17.520 -12.582 5.804 1.00 0.00 H new ATOM 626 N PHE A 44 -18.547 -7.595 4.011 1.00 0.00 N ATOM 627 CA PHE A 44 -18.927 -6.221 4.328 1.00 0.00 C ATOM 628 C PHE A 44 -18.605 -5.282 3.169 1.00 0.00 C ATOM 629 O PHE A 44 -18.864 -4.081 3.238 1.00 0.00 O ATOM 630 CB PHE A 44 -18.222 -5.749 5.606 1.00 0.00 C ATOM 631 CG PHE A 44 -16.760 -6.096 5.660 1.00 0.00 C ATOM 632 CD1 PHE A 44 -15.824 -5.328 4.986 1.00 0.00 C ATOM 633 CD2 PHE A 44 -16.325 -7.190 6.389 1.00 0.00 C ATOM 634 CE1 PHE A 44 -14.483 -5.648 5.036 1.00 0.00 C ATOM 635 CE2 PHE A 44 -14.983 -7.515 6.442 1.00 0.00 C ATOM 636 CZ PHE A 44 -14.061 -6.743 5.767 1.00 0.00 C ATOM 0 H PHE A 44 -17.623 -7.692 3.590 1.00 0.00 H new ATOM 0 HA PHE A 44 -20.004 -6.200 4.494 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -18.332 -4.668 5.692 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -18.722 -6.190 6.469 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -16.148 -4.470 4.416 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -17.043 -7.796 6.922 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -13.763 -5.043 4.504 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -14.657 -8.373 7.011 1.00 0.00 H new ATOM 0 HZ PHE A 44 -13.011 -6.993 5.809 1.00 0.00 H new ATOM 646 N TYR A 45 -18.042 -5.833 2.102 1.00 0.00 N ATOM 647 CA TYR A 45 -17.687 -5.034 0.943 1.00 0.00 C ATOM 648 C TYR A 45 -18.913 -4.740 0.094 1.00 0.00 C ATOM 649 O TYR A 45 -19.315 -5.561 -0.733 1.00 0.00 O ATOM 650 CB TYR A 45 -16.624 -5.739 0.098 1.00 0.00 C ATOM 651 CG TYR A 45 -15.299 -5.004 0.037 1.00 0.00 C ATOM 652 CD1 TYR A 45 -15.050 -4.056 -0.949 1.00 0.00 C ATOM 653 CD2 TYR A 45 -14.296 -5.266 0.961 1.00 0.00 C ATOM 654 CE1 TYR A 45 -13.837 -3.390 -1.010 1.00 0.00 C ATOM 655 CE2 TYR A 45 -13.082 -4.607 0.905 1.00 0.00 C ATOM 656 CZ TYR A 45 -12.857 -3.670 -0.081 1.00 0.00 C ATOM 657 OH TYR A 45 -11.641 -3.018 -0.142 1.00 0.00 O ATOM 0 H TYR A 45 -17.823 -6.826 2.017 1.00 0.00 H new ATOM 0 HA TYR A 45 -17.276 -4.091 1.303 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -16.456 -6.737 0.502 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -17.005 -5.866 -0.915 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -15.815 -3.835 -1.679 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -14.467 -5.997 1.737 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -13.660 -2.655 -1.781 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -12.313 -4.825 1.631 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.922 -3.645 0.084 1.00 0.00 H new ATOM 667 N HIS A 46 -19.500 -3.567 0.327 1.00 0.00 N ATOM 668 CA HIS A 46 -20.675 -3.093 -0.411 1.00 0.00 C ATOM 669 C HIS A 46 -21.938 -3.833 0.011 1.00 0.00 C ATOM 670 O HIS A 46 -21.924 -4.644 0.939 1.00 0.00 O ATOM 671 CB HIS A 46 -20.486 -3.240 -1.927 1.00 0.00 C ATOM 672 CG HIS A 46 -19.268 -2.559 -2.474 1.00 0.00 C ATOM 673 ND1 HIS A 46 -18.955 -2.556 -3.814 1.00 0.00 N ATOM 674 CD2 HIS A 46 -18.270 -1.883 -1.859 1.00 0.00 C ATOM 675 CE1 HIS A 46 -17.818 -1.923 -3.998 1.00 0.00 C ATOM 676 NE2 HIS A 46 -17.379 -1.501 -2.829 1.00 0.00 N ATOM 0 H HIS A 46 -19.173 -2.913 1.038 1.00 0.00 H new ATOM 0 HA HIS A 46 -20.786 -2.036 -0.169 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -20.434 -4.301 -2.172 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -21.366 -2.840 -2.430 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -19.519 -2.980 -4.551 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -18.190 -1.682 -0.801 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -17.326 -1.774 -4.948 1.00 0.00 H new ATOM 685 N ALA A 47 -23.035 -3.535 -0.676 1.00 0.00 N ATOM 686 CA ALA A 47 -24.316 -4.168 -0.392 1.00 0.00 C ATOM 687 C ALA A 47 -25.151 -4.292 -1.662 1.00 0.00 C ATOM 688 O ALA A 47 -25.624 -5.376 -2.003 1.00 0.00 O ATOM 689 CB ALA A 47 -25.075 -3.384 0.672 1.00 0.00 C ATOM 0 H ALA A 47 -23.062 -2.856 -1.437 1.00 0.00 H new ATOM 0 HA ALA A 47 -24.124 -5.171 -0.011 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -26.029 -3.871 0.871 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -24.486 -3.351 1.589 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -25.253 -2.369 0.318 1.00 0.00 H new ATOM 695 N LEU A 48 -25.314 -3.177 -2.365 1.00 0.00 N ATOM 696 CA LEU A 48 -26.096 -3.148 -3.599 1.00 0.00 C ATOM 697 C LEU A 48 -25.178 -3.043 -4.810 1.00 0.00 C ATOM 698 O LEU A 48 -25.611 -3.161 -5.955 1.00 0.00 O ATOM 699 CB LEU A 48 -27.066 -1.962 -3.586 1.00 0.00 C ATOM 700 CG LEU A 48 -26.411 -0.589 -3.396 1.00 0.00 C ATOM 701 CD1 LEU A 48 -27.141 0.466 -4.209 1.00 0.00 C ATOM 702 CD2 LEU A 48 -26.388 -0.201 -1.923 1.00 0.00 C ATOM 0 H LEU A 48 -24.914 -2.277 -2.101 1.00 0.00 H new ATOM 0 HA LEU A 48 -26.665 -4.076 -3.664 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -27.621 -1.956 -4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -27.792 -2.115 -2.787 1.00 0.00 H new ATOM 0 HG LEU A 48 -25.382 -0.651 -3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -26.662 1.434 -4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -27.105 0.200 -5.266 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -28.180 0.522 -3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -25.919 0.777 -1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -27.408 -0.159 -1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -25.820 -0.942 -1.360 1.00 0.00 H new ATOM 714 N ASP A 49 -23.910 -2.810 -4.539 1.00 0.00 N ATOM 715 CA ASP A 49 -22.903 -2.671 -5.578 1.00 0.00 C ATOM 716 C ASP A 49 -21.763 -3.653 -5.339 1.00 0.00 C ATOM 717 O ASP A 49 -20.612 -3.406 -5.712 1.00 0.00 O ATOM 718 CB ASP A 49 -22.378 -1.226 -5.620 1.00 0.00 C ATOM 719 CG ASP A 49 -21.869 -0.715 -4.276 1.00 0.00 C ATOM 720 OD1 ASP A 49 -22.301 -1.237 -3.220 1.00 0.00 O ATOM 721 OD2 ASP A 49 -21.039 0.222 -4.275 1.00 0.00 O ATOM 0 H ASP A 49 -23.545 -2.711 -3.592 1.00 0.00 H new ATOM 0 HA ASP A 49 -23.356 -2.899 -6.543 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -21.571 -1.164 -6.351 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -23.175 -0.570 -5.969 1.00 0.00 H new ATOM 726 N SER A 50 -22.092 -4.779 -4.722 1.00 0.00 N ATOM 727 CA SER A 50 -21.113 -5.810 -4.416 1.00 0.00 C ATOM 728 C SER A 50 -20.638 -6.505 -5.688 1.00 0.00 C ATOM 729 O SER A 50 -19.456 -6.823 -5.821 1.00 0.00 O ATOM 730 CB SER A 50 -21.724 -6.821 -3.448 1.00 0.00 C ATOM 731 OG SER A 50 -23.095 -6.532 -3.224 1.00 0.00 O ATOM 0 H SER A 50 -23.041 -5.002 -4.421 1.00 0.00 H new ATOM 0 HA SER A 50 -20.245 -5.345 -3.948 1.00 0.00 H new ATOM 0 HB2 SER A 50 -21.620 -7.828 -3.852 1.00 0.00 H new ATOM 0 HB3 SER A 50 -21.183 -6.800 -2.502 1.00 0.00 H new ATOM 0 HG SER A 50 -23.471 -7.190 -2.603 1.00 0.00 H new ATOM 737 N GLU A 51 -21.562 -6.708 -6.626 1.00 0.00 N ATOM 738 CA GLU A 51 -21.257 -7.363 -7.897 1.00 0.00 C ATOM 739 C GLU A 51 -20.173 -6.598 -8.655 1.00 0.00 C ATOM 740 O GLU A 51 -19.341 -7.188 -9.347 1.00 0.00 O ATOM 741 CB GLU A 51 -22.524 -7.457 -8.751 1.00 0.00 C ATOM 742 CG GLU A 51 -22.356 -8.274 -10.023 1.00 0.00 C ATOM 743 CD GLU A 51 -23.372 -7.912 -11.086 1.00 0.00 C ATOM 744 OE1 GLU A 51 -24.557 -7.714 -10.744 1.00 0.00 O ATOM 745 OE2 GLU A 51 -22.991 -7.824 -12.273 1.00 0.00 O ATOM 0 H GLU A 51 -22.537 -6.425 -6.528 1.00 0.00 H new ATOM 0 HA GLU A 51 -20.887 -8.367 -7.688 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -23.321 -7.897 -8.152 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -22.845 -6.450 -9.018 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -21.352 -8.121 -10.418 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -22.447 -9.334 -9.784 1.00 0.00 H new ATOM 752 N ASN A 52 -20.178 -5.283 -8.495 1.00 0.00 N ATOM 753 CA ASN A 52 -19.208 -4.421 -9.159 1.00 0.00 C ATOM 754 C ASN A 52 -17.802 -4.674 -8.627 1.00 0.00 C ATOM 755 O ASN A 52 -16.813 -4.373 -9.291 1.00 0.00 O ATOM 756 CB ASN A 52 -19.586 -2.950 -8.964 1.00 0.00 C ATOM 757 CG ASN A 52 -20.950 -2.617 -9.539 1.00 0.00 C ATOM 758 OD1 ASN A 52 -21.969 -2.719 -8.855 1.00 0.00 O ATOM 759 ND2 ASN A 52 -20.980 -2.225 -10.802 1.00 0.00 N ATOM 0 H ASN A 52 -20.847 -4.786 -7.907 1.00 0.00 H new ATOM 0 HA ASN A 52 -19.219 -4.653 -10.224 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -19.577 -2.714 -7.900 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -18.833 -2.319 -9.436 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -21.870 -1.994 -11.243 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -20.113 -2.153 -11.335 1.00 0.00 H new ATOM 766 N MET A 53 -17.717 -5.243 -7.432 1.00 0.00 N ATOM 767 CA MET A 53 -16.429 -5.534 -6.818 1.00 0.00 C ATOM 768 C MET A 53 -15.931 -6.906 -7.259 1.00 0.00 C ATOM 769 O MET A 53 -14.740 -7.093 -7.515 1.00 0.00 O ATOM 770 CB MET A 53 -16.533 -5.460 -5.291 1.00 0.00 C ATOM 771 CG MET A 53 -15.209 -5.677 -4.575 1.00 0.00 C ATOM 772 SD MET A 53 -13.891 -4.617 -5.204 1.00 0.00 S ATOM 773 CE MET A 53 -14.453 -3.000 -4.682 1.00 0.00 C ATOM 0 H MET A 53 -18.524 -5.512 -6.869 1.00 0.00 H new ATOM 0 HA MET A 53 -15.709 -4.784 -7.147 1.00 0.00 H new ATOM 0 HB2 MET A 53 -16.932 -4.485 -5.010 1.00 0.00 H new ATOM 0 HB3 MET A 53 -17.248 -6.208 -4.948 1.00 0.00 H new ATOM 0 HG2 MET A 53 -15.342 -5.489 -3.510 1.00 0.00 H new ATOM 0 HG3 MET A 53 -14.911 -6.720 -4.680 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.602 -2.321 -4.623 1.00 0.00 H new ATOM 0 HE2 MET A 53 -15.175 -2.616 -5.403 1.00 0.00 H new ATOM 0 HE3 MET A 53 -14.925 -3.077 -3.702 1.00 0.00 H new ATOM 783 N THR A 54 -16.851 -7.857 -7.369 1.00 0.00 N ATOM 784 CA THR A 54 -16.511 -9.208 -7.790 1.00 0.00 C ATOM 785 C THR A 54 -15.959 -9.199 -9.215 1.00 0.00 C ATOM 786 O THR A 54 -15.009 -9.918 -9.533 1.00 0.00 O ATOM 787 CB THR A 54 -17.746 -10.123 -7.712 1.00 0.00 C ATOM 788 OG1 THR A 54 -18.889 -9.348 -7.320 1.00 0.00 O ATOM 789 CG2 THR A 54 -17.527 -11.253 -6.715 1.00 0.00 C ATOM 0 H THR A 54 -17.842 -7.715 -7.171 1.00 0.00 H new ATOM 0 HA THR A 54 -15.745 -9.594 -7.117 1.00 0.00 H new ATOM 0 HB THR A 54 -17.914 -10.563 -8.695 1.00 0.00 H new ATOM 0 HG1 THR A 54 -19.582 -9.943 -6.965 1.00 0.00 H new ATOM 0 HG21 THR A 54 -18.415 -11.884 -6.680 1.00 0.00 H new ATOM 0 HG22 THR A 54 -16.669 -11.850 -7.025 1.00 0.00 H new ATOM 0 HG23 THR A 54 -17.340 -10.835 -5.726 1.00 0.00 H new ATOM 797 N LYS A 55 -16.559 -8.362 -10.060 1.00 0.00 N ATOM 798 CA LYS A 55 -16.136 -8.228 -11.451 1.00 0.00 C ATOM 799 C LYS A 55 -14.763 -7.574 -11.537 1.00 0.00 C ATOM 800 O LYS A 55 -13.881 -8.045 -12.259 1.00 0.00 O ATOM 801 CB LYS A 55 -17.151 -7.396 -12.239 1.00 0.00 C ATOM 802 CG LYS A 55 -18.149 -8.229 -13.025 1.00 0.00 C ATOM 803 CD LYS A 55 -19.151 -8.915 -12.112 1.00 0.00 C ATOM 804 CE LYS A 55 -20.147 -9.740 -12.906 1.00 0.00 C ATOM 805 NZ LYS A 55 -21.036 -8.886 -13.736 1.00 0.00 N ATOM 0 H LYS A 55 -17.344 -7.764 -9.802 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.078 -9.227 -11.883 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -17.694 -6.752 -11.547 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -16.615 -6.743 -12.928 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -18.679 -7.591 -13.732 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -17.616 -8.979 -13.610 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -18.623 -9.558 -11.407 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -19.682 -8.166 -11.524 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -19.610 -10.438 -13.549 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -20.751 -10.337 -12.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -21.702 -9.487 -14.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -21.567 -8.237 -13.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -20.462 -8.335 -14.406 1.00 0.00 H new ATOM 819 N SER A 56 -14.588 -6.488 -10.789 1.00 0.00 N ATOM 820 CA SER A 56 -13.323 -5.765 -10.769 1.00 0.00 C ATOM 821 C SER A 56 -12.184 -6.674 -10.317 1.00 0.00 C ATOM 822 O SER A 56 -11.065 -6.565 -10.810 1.00 0.00 O ATOM 823 CB SER A 56 -13.430 -4.544 -9.855 1.00 0.00 C ATOM 824 OG SER A 56 -14.459 -3.670 -10.296 1.00 0.00 O ATOM 0 H SER A 56 -15.309 -6.090 -10.188 1.00 0.00 H new ATOM 0 HA SER A 56 -13.103 -5.428 -11.782 1.00 0.00 H new ATOM 0 HB2 SER A 56 -13.634 -4.866 -8.834 1.00 0.00 H new ATOM 0 HB3 SER A 56 -12.478 -4.013 -9.838 1.00 0.00 H new ATOM 0 HG SER A 56 -15.256 -3.796 -9.739 1.00 0.00 H new ATOM 830 N HIS A 57 -12.484 -7.581 -9.391 1.00 0.00 N ATOM 831 CA HIS A 57 -11.493 -8.525 -8.878 1.00 0.00 C ATOM 832 C HIS A 57 -10.898 -9.352 -10.018 1.00 0.00 C ATOM 833 O HIS A 57 -9.679 -9.508 -10.111 1.00 0.00 O ATOM 834 CB HIS A 57 -12.142 -9.443 -7.828 1.00 0.00 C ATOM 835 CG HIS A 57 -11.249 -10.529 -7.287 1.00 0.00 C ATOM 836 ND1 HIS A 57 -11.741 -11.704 -6.768 1.00 0.00 N ATOM 837 CD2 HIS A 57 -9.900 -10.614 -7.181 1.00 0.00 C ATOM 838 CE1 HIS A 57 -10.741 -12.464 -6.371 1.00 0.00 C ATOM 839 NE2 HIS A 57 -9.607 -11.832 -6.611 1.00 0.00 N ATOM 0 H HIS A 57 -13.411 -7.683 -8.978 1.00 0.00 H new ATOM 0 HA HIS A 57 -10.685 -7.966 -8.407 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.487 -8.830 -6.996 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -13.024 -9.906 -8.269 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.186 -9.864 -7.488 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.834 -13.442 -5.923 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -8.672 -12.186 -6.408 1.00 0.00 H new ATOM 848 N GLN A 58 -11.764 -9.848 -10.895 1.00 0.00 N ATOM 849 CA GLN A 58 -11.332 -10.667 -12.023 1.00 0.00 C ATOM 850 C GLN A 58 -10.486 -9.849 -12.991 1.00 0.00 C ATOM 851 O GLN A 58 -9.407 -10.276 -13.403 1.00 0.00 O ATOM 852 CB GLN A 58 -12.541 -11.252 -12.758 1.00 0.00 C ATOM 853 CG GLN A 58 -13.629 -11.773 -11.831 1.00 0.00 C ATOM 854 CD GLN A 58 -13.126 -12.818 -10.853 1.00 0.00 C ATOM 855 OE1 GLN A 58 -12.216 -13.593 -11.154 1.00 0.00 O ATOM 856 NE2 GLN A 58 -13.715 -12.842 -9.668 1.00 0.00 N ATOM 0 H GLN A 58 -12.772 -9.697 -10.847 1.00 0.00 H new ATOM 0 HA GLN A 58 -10.726 -11.485 -11.632 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -12.966 -10.486 -13.407 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -12.205 -12.065 -13.402 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -14.055 -10.938 -11.275 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -14.434 -12.201 -12.429 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -14.465 -12.183 -9.458 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -13.419 -13.519 -8.965 1.00 0.00 H new ATOM 865 N ASN A 59 -10.976 -8.666 -13.336 1.00 0.00 N ATOM 866 CA ASN A 59 -10.271 -7.781 -14.258 1.00 0.00 C ATOM 867 C ASN A 59 -8.920 -7.368 -13.687 1.00 0.00 C ATOM 868 O ASN A 59 -7.905 -7.399 -14.382 1.00 0.00 O ATOM 869 CB ASN A 59 -11.114 -6.538 -14.554 1.00 0.00 C ATOM 870 CG ASN A 59 -10.505 -5.665 -15.636 1.00 0.00 C ATOM 871 OD1 ASN A 59 -9.767 -4.722 -15.350 1.00 0.00 O ATOM 872 ND2 ASN A 59 -10.812 -5.974 -16.886 1.00 0.00 N ATOM 0 H ASN A 59 -11.861 -8.295 -12.991 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.103 -8.326 -15.187 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.114 -6.846 -14.860 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.226 -5.954 -13.641 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.433 -5.422 -17.656 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -11.428 -6.764 -17.080 1.00 0.00 H new ATOM 879 N LEU A 60 -8.918 -7.003 -12.411 1.00 0.00 N ATOM 880 CA LEU A 60 -7.708 -6.581 -11.716 1.00 0.00 C ATOM 881 C LEU A 60 -6.636 -7.670 -11.752 1.00 0.00 C ATOM 882 O LEU A 60 -5.479 -7.402 -12.070 1.00 0.00 O ATOM 883 CB LEU A 60 -8.054 -6.227 -10.265 1.00 0.00 C ATOM 884 CG LEU A 60 -6.866 -5.982 -9.336 1.00 0.00 C ATOM 885 CD1 LEU A 60 -6.082 -4.760 -9.780 1.00 0.00 C ATOM 886 CD2 LEU A 60 -7.344 -5.821 -7.900 1.00 0.00 C ATOM 0 H LEU A 60 -9.755 -6.991 -11.829 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.305 -5.704 -12.223 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.678 -5.333 -10.268 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.656 -7.034 -9.848 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.204 -6.846 -9.386 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.240 -4.603 -9.105 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.711 -4.914 -10.793 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.731 -3.884 -9.760 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.487 -5.647 -7.249 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.026 -4.973 -7.836 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.861 -6.727 -7.585 1.00 0.00 H new ATOM 898 N CYS A 61 -7.038 -8.900 -11.455 1.00 0.00 N ATOM 899 CA CYS A 61 -6.115 -10.031 -11.429 1.00 0.00 C ATOM 900 C CYS A 61 -5.624 -10.405 -12.831 1.00 0.00 C ATOM 901 O CYS A 61 -4.638 -11.128 -12.975 1.00 0.00 O ATOM 902 CB CYS A 61 -6.796 -11.239 -10.772 1.00 0.00 C ATOM 903 SG CYS A 61 -5.740 -12.700 -10.610 1.00 0.00 S ATOM 0 H CYS A 61 -8.003 -9.142 -11.227 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.243 -9.735 -10.846 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.147 -10.948 -9.782 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.677 -11.506 -11.356 1.00 0.00 H new ATOM 0 HG CYS A 61 -4.822 -12.676 -11.531 1.00 0.00 H new ATOM 909 N THR A 62 -6.296 -9.907 -13.859 1.00 0.00 N ATOM 910 CA THR A 62 -5.918 -10.224 -15.230 1.00 0.00 C ATOM 911 C THR A 62 -5.142 -9.081 -15.892 1.00 0.00 C ATOM 912 O THR A 62 -4.084 -9.300 -16.490 1.00 0.00 O ATOM 913 CB THR A 62 -7.167 -10.559 -16.069 1.00 0.00 C ATOM 914 OG1 THR A 62 -8.018 -11.446 -15.330 1.00 0.00 O ATOM 915 CG2 THR A 62 -6.783 -11.212 -17.385 1.00 0.00 C ATOM 0 H THR A 62 -7.100 -9.286 -13.772 1.00 0.00 H new ATOM 0 HA THR A 62 -5.262 -11.093 -15.189 1.00 0.00 H new ATOM 0 HB THR A 62 -7.693 -9.629 -16.285 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.565 -10.928 -14.703 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.684 -11.437 -17.956 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.151 -10.533 -17.957 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.238 -12.135 -17.188 1.00 0.00 H new ATOM 923 N LYS A 63 -5.657 -7.865 -15.774 1.00 0.00 N ATOM 924 CA LYS A 63 -5.018 -6.701 -16.373 1.00 0.00 C ATOM 925 C LYS A 63 -3.807 -6.261 -15.557 1.00 0.00 C ATOM 926 O LYS A 63 -2.803 -5.813 -16.109 1.00 0.00 O ATOM 927 CB LYS A 63 -6.023 -5.550 -16.483 1.00 0.00 C ATOM 928 CG LYS A 63 -5.582 -4.433 -17.418 1.00 0.00 C ATOM 929 CD LYS A 63 -5.353 -3.132 -16.667 1.00 0.00 C ATOM 930 CE LYS A 63 -5.216 -1.952 -17.617 1.00 0.00 C ATOM 931 NZ LYS A 63 -4.980 -0.681 -16.885 1.00 0.00 N ATOM 0 H LYS A 63 -6.518 -7.658 -15.268 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.675 -6.976 -17.371 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.977 -5.946 -16.831 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.193 -5.133 -15.490 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.664 -4.726 -17.928 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.339 -4.281 -18.187 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.184 -2.955 -15.984 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.452 -3.216 -16.059 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.391 -2.134 -18.306 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.120 -1.863 -18.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.892 0.100 -17.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.779 -0.495 -16.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.104 -0.757 -16.330 1.00 0.00 H new ATOM 945 N GLY A 64 -3.903 -6.400 -14.243 1.00 0.00 N ATOM 946 CA GLY A 64 -2.812 -6.002 -13.375 1.00 0.00 C ATOM 947 C GLY A 64 -3.151 -4.760 -12.578 1.00 0.00 C ATOM 948 O GLY A 64 -2.493 -4.446 -11.589 1.00 0.00 O ATOM 0 H GLY A 64 -4.717 -6.781 -13.761 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.574 -6.818 -12.693 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.920 -5.817 -13.974 1.00 0.00 H new ATOM 952 N GLN A 65 -4.186 -4.058 -13.010 1.00 0.00 N ATOM 953 CA GLN A 65 -4.628 -2.846 -12.343 1.00 0.00 C ATOM 954 C GLN A 65 -6.094 -2.595 -12.662 1.00 0.00 C ATOM 955 O GLN A 65 -6.587 -3.025 -13.704 1.00 0.00 O ATOM 956 CB GLN A 65 -3.772 -1.650 -12.778 1.00 0.00 C ATOM 957 CG GLN A 65 -3.817 -0.487 -11.800 1.00 0.00 C ATOM 958 CD GLN A 65 -2.838 0.616 -12.146 1.00 0.00 C ATOM 959 OE1 GLN A 65 -2.563 0.877 -13.316 1.00 0.00 O ATOM 960 NE2 GLN A 65 -2.284 1.259 -11.130 1.00 0.00 N ATOM 0 H GLN A 65 -4.740 -4.311 -13.828 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.514 -2.971 -11.266 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.739 -1.976 -12.896 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.111 -1.306 -13.755 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.826 -0.076 -11.779 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.602 -0.855 -10.797 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.537 1.015 -10.173 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.604 1.999 -11.305 1.00 0.00 H new ATOM 969 N VAL A 66 -6.786 -1.928 -11.757 1.00 0.00 N ATOM 970 CA VAL A 66 -8.191 -1.622 -11.947 1.00 0.00 C ATOM 971 C VAL A 66 -8.503 -0.234 -11.395 1.00 0.00 C ATOM 972 O VAL A 66 -7.973 0.169 -10.354 1.00 0.00 O ATOM 973 CB VAL A 66 -9.104 -2.689 -11.285 1.00 0.00 C ATOM 974 CG1 VAL A 66 -9.092 -2.572 -9.767 1.00 0.00 C ATOM 975 CG2 VAL A 66 -10.525 -2.587 -11.814 1.00 0.00 C ATOM 0 H VAL A 66 -6.395 -1.586 -10.879 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.396 -1.635 -13.017 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.704 -3.669 -11.547 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.742 -3.335 -9.338 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.076 -2.713 -9.399 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -9.450 -1.585 -9.475 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -11.146 -3.344 -11.336 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -10.925 -1.597 -11.594 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -10.524 -2.746 -12.892 1.00 0.00 H new ATOM 985 N VAL A 67 -9.339 0.504 -12.107 1.00 0.00 N ATOM 986 CA VAL A 67 -9.715 1.843 -11.696 1.00 0.00 C ATOM 987 C VAL A 67 -11.163 1.859 -11.222 1.00 0.00 C ATOM 988 O VAL A 67 -12.088 2.124 -11.996 1.00 0.00 O ATOM 989 CB VAL A 67 -9.530 2.872 -12.837 1.00 0.00 C ATOM 990 CG1 VAL A 67 -9.670 4.290 -12.305 1.00 0.00 C ATOM 991 CG2 VAL A 67 -8.180 2.689 -13.519 1.00 0.00 C ATOM 0 H VAL A 67 -9.771 0.194 -12.977 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.055 2.129 -10.877 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.311 2.701 -13.578 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.537 5.000 -13.121 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.661 4.419 -11.870 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.913 4.469 -11.542 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.073 3.423 -14.317 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.382 2.827 -12.789 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.118 1.685 -13.939 1.00 0.00 H new ATOM 1001 N SER A 68 -11.353 1.554 -9.951 1.00 0.00 N ATOM 1002 CA SER A 68 -12.675 1.531 -9.362 1.00 0.00 C ATOM 1003 C SER A 68 -13.071 2.930 -8.912 1.00 0.00 C ATOM 1004 O SER A 68 -12.297 3.629 -8.252 1.00 0.00 O ATOM 1005 CB SER A 68 -12.709 0.557 -8.185 1.00 0.00 C ATOM 1006 OG SER A 68 -12.192 -0.708 -8.566 1.00 0.00 O ATOM 0 H SER A 68 -10.600 1.317 -9.304 1.00 0.00 H new ATOM 0 HA SER A 68 -13.392 1.193 -10.110 1.00 0.00 H new ATOM 0 HB2 SER A 68 -12.126 0.959 -7.357 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.733 0.445 -7.829 1.00 0.00 H new ATOM 0 HG SER A 68 -12.220 -1.317 -7.799 1.00 0.00 H new ATOM 1012 N GLY A 69 -14.268 3.340 -9.286 1.00 0.00 N ATOM 1013 CA GLY A 69 -14.741 4.653 -8.922 1.00 0.00 C ATOM 1014 C GLY A 69 -15.377 4.677 -7.552 1.00 0.00 C ATOM 1015 O GLY A 69 -15.334 3.683 -6.821 1.00 0.00 O ATOM 0 H GLY A 69 -14.923 2.785 -9.837 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.908 5.356 -8.945 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.466 4.993 -9.662 1.00 0.00 H new ATOM 1019 N GLN A 70 -15.956 5.815 -7.203 1.00 0.00 N ATOM 1020 CA GLN A 70 -16.613 5.985 -5.916 1.00 0.00 C ATOM 1021 C GLN A 70 -17.794 5.031 -5.780 1.00 0.00 C ATOM 1022 O GLN A 70 -18.746 5.084 -6.559 1.00 0.00 O ATOM 1023 CB GLN A 70 -17.082 7.430 -5.743 1.00 0.00 C ATOM 1024 CG GLN A 70 -17.660 8.032 -7.011 1.00 0.00 C ATOM 1025 CD GLN A 70 -17.944 9.512 -6.883 1.00 0.00 C ATOM 1026 OE1 GLN A 70 -19.063 9.918 -6.567 1.00 0.00 O ATOM 1027 NE2 GLN A 70 -16.933 10.332 -7.126 1.00 0.00 N ATOM 0 H GLN A 70 -15.984 6.642 -7.799 1.00 0.00 H new ATOM 0 HA GLN A 70 -15.890 5.753 -5.134 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -17.835 7.468 -4.956 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -16.242 8.040 -5.410 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -16.964 7.871 -7.834 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -18.583 7.511 -7.267 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -16.021 9.955 -7.385 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -17.066 11.341 -7.054 1.00 0.00 H new ATOM 1036 N TYR A 71 -17.714 4.148 -4.803 1.00 0.00 N ATOM 1037 CA TYR A 71 -18.774 3.184 -4.560 1.00 0.00 C ATOM 1038 C TYR A 71 -19.343 3.358 -3.158 1.00 0.00 C ATOM 1039 O TYR A 71 -18.947 4.271 -2.436 1.00 0.00 O ATOM 1040 CB TYR A 71 -18.257 1.757 -4.757 1.00 0.00 C ATOM 1041 CG TYR A 71 -16.962 1.443 -4.033 1.00 0.00 C ATOM 1042 CD1 TYR A 71 -16.852 1.581 -2.653 1.00 0.00 C ATOM 1043 CD2 TYR A 71 -15.857 0.982 -4.735 1.00 0.00 C ATOM 1044 CE1 TYR A 71 -15.678 1.272 -1.996 1.00 0.00 C ATOM 1045 CE2 TYR A 71 -14.683 0.665 -4.084 1.00 0.00 C ATOM 1046 CZ TYR A 71 -14.599 0.811 -2.716 1.00 0.00 C ATOM 1047 OH TYR A 71 -13.435 0.486 -2.067 1.00 0.00 O ATOM 0 H TYR A 71 -16.924 4.077 -4.162 1.00 0.00 H new ATOM 0 HA TYR A 71 -19.573 3.362 -5.280 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -19.023 1.059 -4.421 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -18.112 1.582 -5.823 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -17.700 1.936 -2.086 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -15.917 0.870 -5.807 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -15.606 1.391 -0.925 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -13.833 0.304 -4.644 1.00 0.00 H new ATOM 0 HH TYR A 71 -12.683 0.550 -2.692 1.00 0.00 H new ATOM 1057 N ARG A 72 -20.245 2.468 -2.765 1.00 0.00 N ATOM 1058 CA ARG A 72 -20.860 2.543 -1.449 1.00 0.00 C ATOM 1059 C ARG A 72 -20.287 1.474 -0.527 1.00 0.00 C ATOM 1060 O ARG A 72 -20.592 0.289 -0.664 1.00 0.00 O ATOM 1061 CB ARG A 72 -22.379 2.386 -1.558 1.00 0.00 C ATOM 1062 CG ARG A 72 -23.027 3.368 -2.520 1.00 0.00 C ATOM 1063 CD ARG A 72 -24.540 3.373 -2.376 1.00 0.00 C ATOM 1064 NE ARG A 72 -25.201 3.919 -3.560 1.00 0.00 N ATOM 1065 CZ ARG A 72 -26.110 4.890 -3.534 1.00 0.00 C ATOM 1066 NH1 ARG A 72 -26.464 5.455 -2.384 1.00 0.00 N ATOM 1067 NH2 ARG A 72 -26.654 5.307 -4.672 1.00 0.00 N ATOM 0 H ARG A 72 -20.566 1.688 -3.338 1.00 0.00 H new ATOM 0 HA ARG A 72 -20.639 3.522 -1.025 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -22.608 1.370 -1.880 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -22.821 2.514 -0.570 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -22.640 4.370 -2.335 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -22.759 3.107 -3.544 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -24.891 2.356 -2.202 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -24.819 3.961 -1.502 1.00 0.00 H new ATOM 0 HE ARG A 72 -24.948 3.529 -4.468 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -26.038 5.145 -1.511 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -27.162 6.199 -2.375 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -26.374 4.883 -5.557 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -27.352 6.051 -4.661 1.00 0.00 H new ATOM 1081 N MET A 73 -19.432 1.890 0.393 1.00 0.00 N ATOM 1082 CA MET A 73 -18.829 0.964 1.340 1.00 0.00 C ATOM 1083 C MET A 73 -19.584 1.012 2.665 1.00 0.00 C ATOM 1084 O MET A 73 -19.833 2.089 3.199 1.00 0.00 O ATOM 1085 CB MET A 73 -17.352 1.303 1.555 1.00 0.00 C ATOM 1086 CG MET A 73 -16.598 0.249 2.347 1.00 0.00 C ATOM 1087 SD MET A 73 -16.593 -1.359 1.534 1.00 0.00 S ATOM 1088 CE MET A 73 -15.782 -2.342 2.791 1.00 0.00 C ATOM 0 H MET A 73 -19.140 2.861 0.505 1.00 0.00 H new ATOM 0 HA MET A 73 -18.892 -0.045 0.933 1.00 0.00 H new ATOM 0 HB2 MET A 73 -16.872 1.430 0.585 1.00 0.00 H new ATOM 0 HB3 MET A 73 -17.278 2.258 2.075 1.00 0.00 H new ATOM 0 HG2 MET A 73 -15.570 0.579 2.497 1.00 0.00 H new ATOM 0 HG3 MET A 73 -17.049 0.151 3.335 1.00 0.00 H new ATOM 0 HE1 MET A 73 -15.697 -3.373 2.448 1.00 0.00 H new ATOM 0 HE2 MET A 73 -14.787 -1.940 2.982 1.00 0.00 H new ATOM 0 HE3 MET A 73 -16.368 -2.313 3.710 1.00 0.00 H new ATOM 1098 N LEU A 74 -19.942 -0.154 3.186 1.00 0.00 N ATOM 1099 CA LEU A 74 -20.685 -0.242 4.437 1.00 0.00 C ATOM 1100 C LEU A 74 -19.770 -0.028 5.640 1.00 0.00 C ATOM 1101 O LEU A 74 -18.666 -0.571 5.697 1.00 0.00 O ATOM 1102 CB LEU A 74 -21.380 -1.604 4.539 1.00 0.00 C ATOM 1103 CG LEU A 74 -22.378 -1.745 5.691 1.00 0.00 C ATOM 1104 CD1 LEU A 74 -23.569 -0.823 5.484 1.00 0.00 C ATOM 1105 CD2 LEU A 74 -22.840 -3.187 5.817 1.00 0.00 C ATOM 0 H LEU A 74 -19.729 -1.056 2.760 1.00 0.00 H new ATOM 0 HA LEU A 74 -21.437 0.547 4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.902 -1.798 3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -20.617 -2.376 4.644 1.00 0.00 H new ATOM 0 HG LEU A 74 -21.878 -1.457 6.616 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -24.267 -0.938 6.313 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -23.226 0.211 5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -24.070 -1.079 4.550 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -23.549 -3.271 6.640 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -23.322 -3.497 4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -21.981 -3.829 6.011 1.00 0.00 H new ATOM 1117 N ALA A 75 -20.234 0.777 6.588 1.00 0.00 N ATOM 1118 CA ALA A 75 -19.472 1.059 7.796 1.00 0.00 C ATOM 1119 C ALA A 75 -19.884 0.114 8.924 1.00 0.00 C ATOM 1120 O ALA A 75 -20.873 -0.611 8.805 1.00 0.00 O ATOM 1121 CB ALA A 75 -19.659 2.510 8.217 1.00 0.00 C ATOM 0 H ALA A 75 -21.138 1.247 6.542 1.00 0.00 H new ATOM 0 HA ALA A 75 -18.416 0.896 7.583 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -19.083 2.704 9.122 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -19.314 3.168 7.419 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -20.715 2.699 8.412 1.00 0.00 H new ATOM 1127 N LYS A 76 -19.129 0.132 10.018 1.00 0.00 N ATOM 1128 CA LYS A 76 -19.411 -0.728 11.163 1.00 0.00 C ATOM 1129 C LYS A 76 -20.734 -0.350 11.820 1.00 0.00 C ATOM 1130 O LYS A 76 -21.523 -1.218 12.189 1.00 0.00 O ATOM 1131 CB LYS A 76 -18.274 -0.640 12.182 1.00 0.00 C ATOM 1132 CG LYS A 76 -18.348 -1.698 13.270 1.00 0.00 C ATOM 1133 CD LYS A 76 -17.117 -1.676 14.161 1.00 0.00 C ATOM 1134 CE LYS A 76 -17.069 -0.426 15.027 1.00 0.00 C ATOM 1135 NZ LYS A 76 -15.919 -0.447 15.967 1.00 0.00 N ATOM 0 H LYS A 76 -18.315 0.735 10.136 1.00 0.00 H new ATOM 0 HA LYS A 76 -19.490 -1.754 10.804 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -17.322 -0.734 11.660 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -18.288 0.347 12.645 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -19.239 -1.535 13.876 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -18.449 -2.683 12.814 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -17.114 -2.560 14.798 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -16.220 -1.725 13.543 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -17.000 0.455 14.389 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -17.998 -0.339 15.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.125 0.165 16.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.758 -1.420 16.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.067 -0.101 15.481 1.00 0.00 H new ATOM 1149 N HIS A 77 -20.981 0.947 11.953 1.00 0.00 N ATOM 1150 CA HIS A 77 -22.221 1.425 12.562 1.00 0.00 C ATOM 1151 C HIS A 77 -23.264 1.726 11.490 1.00 0.00 C ATOM 1152 O HIS A 77 -24.186 2.511 11.710 1.00 0.00 O ATOM 1153 CB HIS A 77 -21.969 2.673 13.427 1.00 0.00 C ATOM 1154 CG HIS A 77 -21.442 3.867 12.675 1.00 0.00 C ATOM 1155 ND1 HIS A 77 -22.222 4.661 11.862 1.00 0.00 N ATOM 1156 CD2 HIS A 77 -20.200 4.398 12.624 1.00 0.00 C ATOM 1157 CE1 HIS A 77 -21.483 5.622 11.346 1.00 0.00 C ATOM 1158 NE2 HIS A 77 -20.251 5.488 11.793 1.00 0.00 N ATOM 0 H HIS A 77 -20.345 1.685 11.650 1.00 0.00 H new ATOM 0 HA HIS A 77 -22.602 0.635 13.209 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -22.902 2.953 13.917 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -21.260 2.415 14.214 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -23.218 4.526 11.687 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -19.327 4.031 13.143 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -21.829 6.390 10.670 1.00 0.00 H new ATOM 1167 N GLY A 78 -23.115 1.097 10.333 1.00 0.00 N ATOM 1168 CA GLY A 78 -24.044 1.325 9.248 1.00 0.00 C ATOM 1169 C GLY A 78 -23.651 2.532 8.427 1.00 0.00 C ATOM 1170 O GLY A 78 -22.794 3.318 8.839 1.00 0.00 O ATOM 0 H GLY A 78 -22.368 0.434 10.127 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -24.080 0.444 8.607 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -25.047 1.468 9.650 1.00 0.00 H new ATOM 1174 N GLY A 79 -24.269 2.680 7.269 1.00 0.00 N ATOM 1175 CA GLY A 79 -23.964 3.804 6.408 1.00 0.00 C ATOM 1176 C GLY A 79 -23.142 3.386 5.209 1.00 0.00 C ATOM 1177 O GLY A 79 -22.501 2.332 5.229 1.00 0.00 O ATOM 0 H GLY A 79 -24.978 2.042 6.907 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -24.892 4.265 6.070 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -23.421 4.560 6.975 1.00 0.00 H new ATOM 1181 N TYR A 80 -23.154 4.204 4.164 1.00 0.00 N ATOM 1182 CA TYR A 80 -22.412 3.897 2.951 1.00 0.00 C ATOM 1183 C TYR A 80 -21.456 5.024 2.594 1.00 0.00 C ATOM 1184 O TYR A 80 -21.868 6.098 2.162 1.00 0.00 O ATOM 1185 CB TYR A 80 -23.376 3.628 1.796 1.00 0.00 C ATOM 1186 CG TYR A 80 -24.250 2.419 2.026 1.00 0.00 C ATOM 1187 CD1 TYR A 80 -23.788 1.141 1.743 1.00 0.00 C ATOM 1188 CD2 TYR A 80 -25.532 2.556 2.542 1.00 0.00 C ATOM 1189 CE1 TYR A 80 -24.580 0.033 1.964 1.00 0.00 C ATOM 1190 CE2 TYR A 80 -26.328 1.453 2.769 1.00 0.00 C ATOM 1191 CZ TYR A 80 -25.847 0.195 2.479 1.00 0.00 C ATOM 1192 OH TYR A 80 -26.637 -0.908 2.709 1.00 0.00 O ATOM 0 H TYR A 80 -23.669 5.084 4.133 1.00 0.00 H new ATOM 0 HA TYR A 80 -21.820 3.000 3.132 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -24.008 4.503 1.646 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -22.805 3.487 0.879 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -22.793 1.012 1.344 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -25.911 3.541 2.769 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -24.209 -0.955 1.735 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -27.323 1.575 3.172 1.00 0.00 H new ATOM 0 HH TYR A 80 -27.500 -0.622 3.074 1.00 0.00 H new ATOM 1202 N VAL A 81 -20.177 4.770 2.781 1.00 0.00 N ATOM 1203 CA VAL A 81 -19.144 5.752 2.493 1.00 0.00 C ATOM 1204 C VAL A 81 -18.750 5.695 1.017 1.00 0.00 C ATOM 1205 O VAL A 81 -18.418 4.625 0.502 1.00 0.00 O ATOM 1206 CB VAL A 81 -17.888 5.514 3.366 1.00 0.00 C ATOM 1207 CG1 VAL A 81 -17.233 6.831 3.744 1.00 0.00 C ATOM 1208 CG2 VAL A 81 -18.230 4.716 4.616 1.00 0.00 C ATOM 0 H VAL A 81 -19.822 3.882 3.135 1.00 0.00 H new ATOM 0 HA VAL A 81 -19.551 6.736 2.724 1.00 0.00 H new ATOM 0 HB VAL A 81 -17.181 4.933 2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -16.353 6.637 4.357 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -16.935 7.362 2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -17.940 7.441 4.307 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -17.328 4.565 5.209 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -18.965 5.262 5.207 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -18.642 3.749 4.329 1.00 0.00 H new ATOM 1218 N TRP A 82 -18.801 6.840 0.343 1.00 0.00 N ATOM 1219 CA TRP A 82 -18.447 6.916 -1.073 1.00 0.00 C ATOM 1220 C TRP A 82 -16.932 6.978 -1.241 1.00 0.00 C ATOM 1221 O TRP A 82 -16.321 8.042 -1.107 1.00 0.00 O ATOM 1222 CB TRP A 82 -19.086 8.141 -1.731 1.00 0.00 C ATOM 1223 CG TRP A 82 -20.551 7.994 -2.005 1.00 0.00 C ATOM 1224 CD1 TRP A 82 -21.579 8.312 -1.165 1.00 0.00 C ATOM 1225 CD2 TRP A 82 -21.154 7.503 -3.208 1.00 0.00 C ATOM 1226 NE1 TRP A 82 -22.784 8.050 -1.772 1.00 0.00 N ATOM 1227 CE2 TRP A 82 -22.550 7.550 -3.027 1.00 0.00 C ATOM 1228 CE3 TRP A 82 -20.648 7.026 -4.421 1.00 0.00 C ATOM 1229 CZ2 TRP A 82 -23.442 7.139 -4.014 1.00 0.00 C ATOM 1230 CZ3 TRP A 82 -21.536 6.620 -5.399 1.00 0.00 C ATOM 1231 CH2 TRP A 82 -22.918 6.680 -5.191 1.00 0.00 C ATOM 0 H TRP A 82 -19.084 7.730 0.754 1.00 0.00 H new ATOM 0 HA TRP A 82 -18.826 6.018 -1.561 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -18.933 9.007 -1.087 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -18.571 8.346 -2.669 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -21.462 8.711 -0.168 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -23.703 8.203 -1.356 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -19.583 6.976 -4.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -24.510 7.181 -3.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -21.156 6.250 -6.340 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -23.585 6.357 -5.976 1.00 0.00 H new ATOM 1242 N LEU A 83 -16.330 5.836 -1.533 1.00 0.00 N ATOM 1243 CA LEU A 83 -14.887 5.762 -1.702 1.00 0.00 C ATOM 1244 C LEU A 83 -14.506 5.190 -3.059 1.00 0.00 C ATOM 1245 O LEU A 83 -15.145 4.262 -3.552 1.00 0.00 O ATOM 1246 CB LEU A 83 -14.271 4.894 -0.604 1.00 0.00 C ATOM 1247 CG LEU A 83 -13.722 5.655 0.601 1.00 0.00 C ATOM 1248 CD1 LEU A 83 -14.847 6.296 1.391 1.00 0.00 C ATOM 1249 CD2 LEU A 83 -12.917 4.726 1.488 1.00 0.00 C ATOM 0 H LEU A 83 -16.817 4.949 -1.658 1.00 0.00 H new ATOM 0 HA LEU A 83 -14.501 6.779 -1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -15.026 4.190 -0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.463 4.306 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 83 -13.067 6.446 0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -14.433 6.833 2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -15.389 6.994 0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -15.529 5.523 1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -12.532 5.282 2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -13.555 3.915 1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.084 4.311 0.920 1.00 0.00 H new ATOM 1261 N GLU A 84 -13.469 5.763 -3.655 1.00 0.00 N ATOM 1262 CA GLU A 84 -12.954 5.298 -4.937 1.00 0.00 C ATOM 1263 C GLU A 84 -11.808 4.331 -4.656 1.00 0.00 C ATOM 1264 O GLU A 84 -11.343 4.258 -3.517 1.00 0.00 O ATOM 1265 CB GLU A 84 -12.477 6.481 -5.788 1.00 0.00 C ATOM 1266 CG GLU A 84 -13.374 7.704 -5.667 1.00 0.00 C ATOM 1267 CD GLU A 84 -13.258 8.648 -6.848 1.00 0.00 C ATOM 1268 OE1 GLU A 84 -12.161 9.203 -7.063 1.00 0.00 O ATOM 1269 OE2 GLU A 84 -14.270 8.848 -7.558 1.00 0.00 O ATOM 0 H GLU A 84 -12.963 6.559 -3.267 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.739 4.793 -5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.464 6.750 -5.490 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.431 6.174 -6.833 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.410 7.379 -5.570 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.122 8.242 -4.753 1.00 0.00 H new ATOM 1276 N THR A 85 -11.342 3.586 -5.647 1.00 0.00 N ATOM 1277 CA THR A 85 -10.266 2.634 -5.397 1.00 0.00 C ATOM 1278 C THR A 85 -9.358 2.402 -6.606 1.00 0.00 C ATOM 1279 O THR A 85 -9.814 2.067 -7.697 1.00 0.00 O ATOM 1280 CB THR A 85 -10.842 1.279 -4.933 1.00 0.00 C ATOM 1281 OG1 THR A 85 -11.681 1.479 -3.791 1.00 0.00 O ATOM 1282 CG2 THR A 85 -9.733 0.298 -4.581 1.00 0.00 C ATOM 0 H THR A 85 -11.680 3.618 -6.609 1.00 0.00 H new ATOM 0 HA THR A 85 -9.653 3.080 -4.614 1.00 0.00 H new ATOM 0 HB THR A 85 -11.423 0.859 -5.754 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.569 2.394 -3.459 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.171 -0.646 -4.258 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.107 0.127 -5.457 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.125 0.710 -3.776 1.00 0.00 H new ATOM 1290 N GLN A 86 -8.067 2.593 -6.389 1.00 0.00 N ATOM 1291 CA GLN A 86 -7.061 2.361 -7.411 1.00 0.00 C ATOM 1292 C GLN A 86 -6.313 1.080 -7.055 1.00 0.00 C ATOM 1293 O GLN A 86 -5.288 1.108 -6.369 1.00 0.00 O ATOM 1294 CB GLN A 86 -6.090 3.542 -7.500 1.00 0.00 C ATOM 1295 CG GLN A 86 -5.106 3.448 -8.657 1.00 0.00 C ATOM 1296 CD GLN A 86 -5.725 3.799 -9.997 1.00 0.00 C ATOM 1297 OE1 GLN A 86 -6.917 3.587 -10.224 1.00 0.00 O ATOM 1298 NE2 GLN A 86 -4.920 4.353 -10.890 1.00 0.00 N ATOM 0 H GLN A 86 -7.687 2.914 -5.498 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.540 2.260 -8.385 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -6.663 4.464 -7.598 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.532 3.611 -6.566 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.266 4.115 -8.466 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.705 2.436 -8.703 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -3.938 4.512 -10.663 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.281 4.621 -11.805 1.00 0.00 H new ATOM 1307 N GLY A 87 -6.859 -0.046 -7.486 1.00 0.00 N ATOM 1308 CA GLY A 87 -6.257 -1.326 -7.182 1.00 0.00 C ATOM 1309 C GLY A 87 -5.186 -1.713 -8.174 1.00 0.00 C ATOM 1310 O GLY A 87 -5.385 -1.605 -9.380 1.00 0.00 O ATOM 0 H GLY A 87 -7.712 -0.096 -8.043 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.826 -1.292 -6.182 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.031 -2.094 -7.170 1.00 0.00 H new ATOM 1314 N THR A 88 -4.048 -2.148 -7.664 1.00 0.00 N ATOM 1315 CA THR A 88 -2.941 -2.565 -8.506 1.00 0.00 C ATOM 1316 C THR A 88 -2.380 -3.899 -8.021 1.00 0.00 C ATOM 1317 O THR A 88 -2.076 -4.060 -6.837 1.00 0.00 O ATOM 1318 CB THR A 88 -1.819 -1.509 -8.512 1.00 0.00 C ATOM 1319 OG1 THR A 88 -2.389 -0.193 -8.588 1.00 0.00 O ATOM 1320 CG2 THR A 88 -0.876 -1.728 -9.686 1.00 0.00 C ATOM 0 H THR A 88 -3.865 -2.222 -6.663 1.00 0.00 H new ATOM 0 HA THR A 88 -3.320 -2.677 -9.522 1.00 0.00 H new ATOM 0 HB THR A 88 -1.250 -1.607 -7.588 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.405 0.209 -7.694 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.092 -0.971 -9.669 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.426 -2.718 -9.611 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.434 -1.653 -10.620 1.00 0.00 H new ATOM 1328 N VAL A 89 -2.264 -4.854 -8.930 1.00 0.00 N ATOM 1329 CA VAL A 89 -1.742 -6.168 -8.594 1.00 0.00 C ATOM 1330 C VAL A 89 -0.232 -6.203 -8.778 1.00 0.00 C ATOM 1331 O VAL A 89 0.271 -6.350 -9.894 1.00 0.00 O ATOM 1332 CB VAL A 89 -2.388 -7.285 -9.448 1.00 0.00 C ATOM 1333 CG1 VAL A 89 -1.676 -8.612 -9.241 1.00 0.00 C ATOM 1334 CG2 VAL A 89 -3.860 -7.427 -9.112 1.00 0.00 C ATOM 0 H VAL A 89 -2.526 -4.742 -9.910 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.991 -6.352 -7.549 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.290 -7.003 -10.496 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.151 -9.379 -9.853 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.630 -8.513 -9.531 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.736 -8.897 -8.191 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.298 -8.217 -9.722 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.970 -7.680 -8.057 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.372 -6.486 -9.315 1.00 0.00 H new ATOM 1344 N ILE A 90 0.484 -6.030 -7.684 1.00 0.00 N ATOM 1345 CA ILE A 90 1.931 -6.068 -7.718 1.00 0.00 C ATOM 1346 C ILE A 90 2.396 -7.478 -7.383 1.00 0.00 C ATOM 1347 O ILE A 90 2.151 -7.984 -6.285 1.00 0.00 O ATOM 1348 CB ILE A 90 2.550 -5.052 -6.735 1.00 0.00 C ATOM 1349 CG1 ILE A 90 1.906 -3.676 -6.921 1.00 0.00 C ATOM 1350 CG2 ILE A 90 4.053 -4.967 -6.943 1.00 0.00 C ATOM 1351 CD1 ILE A 90 2.202 -2.709 -5.796 1.00 0.00 C ATOM 0 H ILE A 90 0.086 -5.862 -6.760 1.00 0.00 H new ATOM 0 HA ILE A 90 2.264 -5.793 -8.719 1.00 0.00 H new ATOM 0 HB ILE A 90 2.360 -5.389 -5.716 1.00 0.00 H new ATOM 0 HG12 ILE A 90 2.255 -3.245 -7.860 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.826 -3.799 -7.008 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.477 -4.247 -6.243 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.500 -5.946 -6.771 1.00 0.00 H new ATOM 0 HG23 ILE A 90 4.262 -4.647 -7.964 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.713 -1.756 -5.997 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.828 -3.118 -4.857 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.279 -2.556 -5.722 1.00 0.00 H new ATOM 1363 N TYR A 91 3.027 -8.125 -8.345 1.00 0.00 N ATOM 1364 CA TYR A 91 3.504 -9.485 -8.162 1.00 0.00 C ATOM 1365 C TYR A 91 4.777 -9.501 -7.327 1.00 0.00 C ATOM 1366 O TYR A 91 5.500 -8.504 -7.258 1.00 0.00 O ATOM 1367 CB TYR A 91 3.757 -10.146 -9.520 1.00 0.00 C ATOM 1368 CG TYR A 91 2.524 -10.252 -10.395 1.00 0.00 C ATOM 1369 CD1 TYR A 91 2.087 -9.170 -11.151 1.00 0.00 C ATOM 1370 CD2 TYR A 91 1.803 -11.435 -10.470 1.00 0.00 C ATOM 1371 CE1 TYR A 91 0.967 -9.264 -11.953 1.00 0.00 C ATOM 1372 CE2 TYR A 91 0.682 -11.538 -11.273 1.00 0.00 C ATOM 1373 CZ TYR A 91 0.269 -10.449 -12.012 1.00 0.00 C ATOM 1374 OH TYR A 91 -0.847 -10.549 -12.815 1.00 0.00 O ATOM 0 H TYR A 91 3.222 -7.730 -9.265 1.00 0.00 H new ATOM 0 HA TYR A 91 2.736 -10.049 -7.632 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.520 -9.578 -10.052 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.160 -11.145 -9.356 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.633 -8.239 -11.110 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.123 -12.289 -9.892 1.00 0.00 H new ATOM 0 HE1 TYR A 91 0.640 -8.412 -12.531 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.133 -12.467 -11.321 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.222 -11.452 -12.743 1.00 0.00 H new ATOM 1384 N ASN A 92 5.034 -10.622 -6.676 1.00 0.00 N ATOM 1385 CA ASN A 92 6.223 -10.774 -5.851 1.00 0.00 C ATOM 1386 C ASN A 92 7.221 -11.684 -6.554 1.00 0.00 C ATOM 1387 O ASN A 92 6.966 -12.874 -6.722 1.00 0.00 O ATOM 1388 CB ASN A 92 5.845 -11.344 -4.478 1.00 0.00 C ATOM 1389 CG ASN A 92 7.052 -11.706 -3.622 1.00 0.00 C ATOM 1390 OD1 ASN A 92 8.164 -11.235 -3.851 1.00 0.00 O ATOM 1391 ND2 ASN A 92 6.832 -12.540 -2.618 1.00 0.00 N ATOM 0 H ASN A 92 4.433 -11.445 -6.702 1.00 0.00 H new ATOM 0 HA ASN A 92 6.684 -9.798 -5.700 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.236 -10.614 -3.945 1.00 0.00 H new ATOM 0 HB3 ASN A 92 5.229 -12.232 -4.618 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.599 -12.812 -2.003 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.895 -12.911 -2.459 1.00 0.00 H new ATOM 1398 N PRO A 93 8.375 -11.134 -6.964 1.00 0.00 N ATOM 1399 CA PRO A 93 9.423 -11.888 -7.670 1.00 0.00 C ATOM 1400 C PRO A 93 9.965 -13.072 -6.867 1.00 0.00 C ATOM 1401 O PRO A 93 10.638 -13.946 -7.415 1.00 0.00 O ATOM 1402 CB PRO A 93 10.529 -10.851 -7.899 1.00 0.00 C ATOM 1403 CG PRO A 93 10.243 -9.753 -6.936 1.00 0.00 C ATOM 1404 CD PRO A 93 8.752 -9.724 -6.779 1.00 0.00 C ATOM 0 HA PRO A 93 9.034 -12.332 -8.586 1.00 0.00 H new ATOM 0 HB2 PRO A 93 11.515 -11.282 -7.723 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.519 -10.486 -8.926 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.733 -9.934 -5.980 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.615 -8.799 -7.309 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.456 -9.352 -5.798 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.280 -9.079 -7.520 1.00 0.00 H new ATOM 1412 N ARG A 94 9.673 -13.099 -5.572 1.00 0.00 N ATOM 1413 CA ARG A 94 10.130 -14.181 -4.707 1.00 0.00 C ATOM 1414 C ARG A 94 9.099 -15.308 -4.645 1.00 0.00 C ATOM 1415 O ARG A 94 9.311 -16.312 -3.967 1.00 0.00 O ATOM 1416 CB ARG A 94 10.410 -13.657 -3.295 1.00 0.00 C ATOM 1417 CG ARG A 94 11.707 -12.875 -3.174 1.00 0.00 C ATOM 1418 CD ARG A 94 12.917 -13.795 -3.146 1.00 0.00 C ATOM 1419 NE ARG A 94 14.142 -13.083 -2.779 1.00 0.00 N ATOM 1420 CZ ARG A 94 15.348 -13.650 -2.730 1.00 0.00 C ATOM 1421 NH1 ARG A 94 15.496 -14.929 -3.051 1.00 0.00 N ATOM 1422 NH2 ARG A 94 16.405 -12.930 -2.371 1.00 0.00 N ATOM 0 H ARG A 94 9.122 -12.384 -5.097 1.00 0.00 H new ATOM 0 HA ARG A 94 11.053 -14.578 -5.130 1.00 0.00 H new ATOM 0 HB2 ARG A 94 9.582 -13.019 -2.984 1.00 0.00 H new ATOM 0 HB3 ARG A 94 10.440 -14.500 -2.605 1.00 0.00 H new ATOM 0 HG2 ARG A 94 11.795 -12.184 -4.012 1.00 0.00 H new ATOM 0 HG3 ARG A 94 11.686 -12.273 -2.265 1.00 0.00 H new ATOM 0 HD2 ARG A 94 12.741 -14.603 -2.436 1.00 0.00 H new ATOM 0 HD3 ARG A 94 13.045 -14.255 -4.126 1.00 0.00 H new ATOM 0 HE ARG A 94 14.069 -12.093 -2.547 1.00 0.00 H new ATOM 0 HH11 ARG A 94 14.686 -15.480 -3.336 1.00 0.00 H new ATOM 0 HH12 ARG A 94 16.419 -15.361 -3.013 1.00 0.00 H new ATOM 0 HH21 ARG A 94 16.294 -11.944 -2.133 1.00 0.00 H new ATOM 0 HH22 ARG A 94 17.328 -13.363 -2.333 1.00 0.00 H new ATOM 1436 N ASN A 95 7.987 -15.143 -5.353 1.00 0.00 N ATOM 1437 CA ASN A 95 6.936 -16.160 -5.358 1.00 0.00 C ATOM 1438 C ASN A 95 6.309 -16.317 -6.746 1.00 0.00 C ATOM 1439 O ASN A 95 5.709 -17.351 -7.049 1.00 0.00 O ATOM 1440 CB ASN A 95 5.860 -15.803 -4.325 1.00 0.00 C ATOM 1441 CG ASN A 95 5.151 -17.027 -3.769 1.00 0.00 C ATOM 1442 OD1 ASN A 95 4.899 -17.997 -4.481 1.00 0.00 O ATOM 1443 ND2 ASN A 95 4.829 -16.994 -2.486 1.00 0.00 N ATOM 0 H ASN A 95 7.789 -14.323 -5.927 1.00 0.00 H new ATOM 0 HA ASN A 95 7.390 -17.115 -5.092 1.00 0.00 H new ATOM 0 HB2 ASN A 95 6.319 -15.250 -3.505 1.00 0.00 H new ATOM 0 HB3 ASN A 95 5.126 -15.141 -4.785 1.00 0.00 H new ATOM 0 HD21 ASN A 95 4.356 -17.790 -2.058 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.053 -16.172 -1.925 1.00 0.00 H new ATOM 1450 N LEU A 96 6.447 -15.287 -7.581 1.00 0.00 N ATOM 1451 CA LEU A 96 5.900 -15.291 -8.939 1.00 0.00 C ATOM 1452 C LEU A 96 4.377 -15.345 -8.904 1.00 0.00 C ATOM 1453 O LEU A 96 3.744 -16.035 -9.706 1.00 0.00 O ATOM 1454 CB LEU A 96 6.462 -16.464 -9.757 1.00 0.00 C ATOM 1455 CG LEU A 96 7.506 -16.087 -10.814 1.00 0.00 C ATOM 1456 CD1 LEU A 96 6.860 -15.288 -11.937 1.00 0.00 C ATOM 1457 CD2 LEU A 96 8.649 -15.299 -10.187 1.00 0.00 C ATOM 0 H LEU A 96 6.940 -14.428 -7.336 1.00 0.00 H new ATOM 0 HA LEU A 96 6.202 -14.364 -9.426 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.908 -17.183 -9.070 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.633 -16.969 -10.253 1.00 0.00 H new ATOM 0 HG LEU A 96 7.916 -17.006 -11.233 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.615 -15.028 -12.679 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.080 -15.886 -12.407 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.422 -14.376 -11.530 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.378 -15.042 -10.955 1.00 0.00 H new ATOM 0 HD22 LEU A 96 8.258 -14.386 -9.738 1.00 0.00 H new ATOM 0 HD23 LEU A 96 9.130 -15.904 -9.419 1.00 0.00 H new ATOM 1469 N GLN A 97 3.790 -14.607 -7.970 1.00 0.00 N ATOM 1470 CA GLN A 97 2.344 -14.570 -7.823 1.00 0.00 C ATOM 1471 C GLN A 97 1.907 -13.235 -7.221 1.00 0.00 C ATOM 1472 O GLN A 97 2.711 -12.544 -6.584 1.00 0.00 O ATOM 1473 CB GLN A 97 1.859 -15.746 -6.958 1.00 0.00 C ATOM 1474 CG GLN A 97 2.268 -15.667 -5.494 1.00 0.00 C ATOM 1475 CD GLN A 97 1.142 -15.183 -4.598 1.00 0.00 C ATOM 1476 OE1 GLN A 97 -0.035 -15.381 -4.895 1.00 0.00 O ATOM 1477 NE2 GLN A 97 1.495 -14.551 -3.489 1.00 0.00 N ATOM 0 H GLN A 97 4.296 -14.025 -7.302 1.00 0.00 H new ATOM 0 HA GLN A 97 1.890 -14.666 -8.809 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.772 -15.798 -7.016 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.245 -16.674 -7.380 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.597 -16.651 -5.159 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.121 -14.995 -5.395 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.482 -14.406 -3.277 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.780 -14.210 -2.847 1.00 0.00 H new ATOM 1486 N PRO A 98 0.637 -12.845 -7.437 1.00 0.00 N ATOM 1487 CA PRO A 98 0.086 -11.588 -6.914 1.00 0.00 C ATOM 1488 C PRO A 98 0.031 -11.571 -5.389 1.00 0.00 C ATOM 1489 O PRO A 98 -0.862 -12.160 -4.778 1.00 0.00 O ATOM 1490 CB PRO A 98 -1.327 -11.536 -7.505 1.00 0.00 C ATOM 1491 CG PRO A 98 -1.659 -12.949 -7.841 1.00 0.00 C ATOM 1492 CD PRO A 98 -0.360 -13.598 -8.219 1.00 0.00 C ATOM 0 HA PRO A 98 0.702 -10.731 -7.186 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -2.039 -11.123 -6.790 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -1.361 -10.902 -8.391 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -2.116 -13.456 -6.991 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -2.374 -12.998 -8.663 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -0.352 -14.658 -7.966 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -0.170 -13.524 -9.290 1.00 0.00 H new ATOM 1500 N GLN A 99 0.991 -10.892 -4.783 1.00 0.00 N ATOM 1501 CA GLN A 99 1.071 -10.814 -3.335 1.00 0.00 C ATOM 1502 C GLN A 99 0.864 -9.387 -2.846 1.00 0.00 C ATOM 1503 O GLN A 99 0.193 -9.156 -1.839 1.00 0.00 O ATOM 1504 CB GLN A 99 2.434 -11.344 -2.876 1.00 0.00 C ATOM 1505 CG GLN A 99 2.765 -11.060 -1.419 1.00 0.00 C ATOM 1506 CD GLN A 99 4.021 -11.779 -0.966 1.00 0.00 C ATOM 1507 OE1 GLN A 99 4.286 -12.911 -1.378 1.00 0.00 O ATOM 1508 NE2 GLN A 99 4.812 -11.127 -0.131 1.00 0.00 N ATOM 0 H GLN A 99 1.728 -10.386 -5.274 1.00 0.00 H new ATOM 0 HA GLN A 99 0.277 -11.426 -2.907 1.00 0.00 H new ATOM 0 HB2 GLN A 99 2.464 -12.421 -3.038 1.00 0.00 H new ATOM 0 HB3 GLN A 99 3.210 -10.905 -3.504 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.893 -9.986 -1.280 1.00 0.00 H new ATOM 0 HG3 GLN A 99 1.927 -11.365 -0.792 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.558 -10.192 0.187 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.676 -11.559 0.195 1.00 0.00 H new ATOM 1517 N CYS A 100 1.419 -8.430 -3.570 1.00 0.00 N ATOM 1518 CA CYS A 100 1.319 -7.034 -3.186 1.00 0.00 C ATOM 1519 C CYS A 100 0.156 -6.333 -3.887 1.00 0.00 C ATOM 1520 O CYS A 100 0.331 -5.281 -4.497 1.00 0.00 O ATOM 1521 CB CYS A 100 2.637 -6.329 -3.505 1.00 0.00 C ATOM 1522 SG CYS A 100 4.095 -7.388 -3.319 1.00 0.00 S ATOM 0 H CYS A 100 1.944 -8.596 -4.428 1.00 0.00 H new ATOM 0 HA CYS A 100 1.123 -6.986 -2.115 1.00 0.00 H new ATOM 0 HB2 CYS A 100 2.600 -5.954 -4.528 1.00 0.00 H new ATOM 0 HB3 CYS A 100 2.743 -5.463 -2.852 1.00 0.00 H new ATOM 0 HG CYS A 100 5.164 -6.709 -3.612 1.00 0.00 H new ATOM 1528 N ILE A 101 -1.032 -6.916 -3.804 1.00 0.00 N ATOM 1529 CA ILE A 101 -2.210 -6.312 -4.413 1.00 0.00 C ATOM 1530 C ILE A 101 -2.702 -5.169 -3.532 1.00 0.00 C ATOM 1531 O ILE A 101 -3.420 -5.381 -2.551 1.00 0.00 O ATOM 1532 CB ILE A 101 -3.350 -7.330 -4.618 1.00 0.00 C ATOM 1533 CG1 ILE A 101 -2.834 -8.571 -5.352 1.00 0.00 C ATOM 1534 CG2 ILE A 101 -4.503 -6.691 -5.386 1.00 0.00 C ATOM 1535 CD1 ILE A 101 -3.836 -9.706 -5.414 1.00 0.00 C ATOM 0 H ILE A 101 -1.206 -7.800 -3.325 1.00 0.00 H new ATOM 0 HA ILE A 101 -1.921 -5.942 -5.397 1.00 0.00 H new ATOM 0 HB ILE A 101 -3.719 -7.639 -3.640 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.553 -8.291 -6.367 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -1.929 -8.924 -4.857 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -5.299 -7.423 -5.522 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -4.886 -5.839 -4.825 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -4.149 -6.355 -6.360 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.398 -10.549 -5.949 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.099 -10.015 -4.402 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -4.733 -9.372 -5.936 1.00 0.00 H new ATOM 1547 N MET A 102 -2.289 -3.962 -3.876 1.00 0.00 N ATOM 1548 CA MET A 102 -2.654 -2.783 -3.111 1.00 0.00 C ATOM 1549 C MET A 102 -3.819 -2.047 -3.754 1.00 0.00 C ATOM 1550 O MET A 102 -3.782 -1.723 -4.940 1.00 0.00 O ATOM 1551 CB MET A 102 -1.457 -1.836 -2.986 1.00 0.00 C ATOM 1552 CG MET A 102 -0.215 -2.485 -2.397 1.00 0.00 C ATOM 1553 SD MET A 102 0.768 -1.339 -1.408 1.00 0.00 S ATOM 1554 CE MET A 102 1.001 0.006 -2.571 1.00 0.00 C ATOM 0 H MET A 102 -1.697 -3.772 -4.685 1.00 0.00 H new ATOM 0 HA MET A 102 -2.959 -3.115 -2.119 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.215 -1.441 -3.972 1.00 0.00 H new ATOM 0 HB3 MET A 102 -1.741 -0.988 -2.363 1.00 0.00 H new ATOM 0 HG2 MET A 102 -0.512 -3.331 -1.777 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.400 -2.882 -3.205 1.00 0.00 H new ATOM 0 HE1 MET A 102 1.760 0.689 -2.190 1.00 0.00 H new ATOM 0 HE2 MET A 102 1.324 -0.395 -3.532 1.00 0.00 H new ATOM 0 HE3 MET A 102 0.061 0.543 -2.700 1.00 0.00 H new ATOM 1564 N CYS A 103 -4.857 -1.803 -2.973 1.00 0.00 N ATOM 1565 CA CYS A 103 -6.021 -1.085 -3.453 1.00 0.00 C ATOM 1566 C CYS A 103 -6.111 0.262 -2.744 1.00 0.00 C ATOM 1567 O CYS A 103 -6.540 0.341 -1.594 1.00 0.00 O ATOM 1568 CB CYS A 103 -7.288 -1.906 -3.211 1.00 0.00 C ATOM 1569 SG CYS A 103 -7.191 -3.600 -3.839 1.00 0.00 S ATOM 0 H CYS A 103 -4.916 -2.095 -1.997 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.926 -0.918 -4.526 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.491 -1.936 -2.141 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.132 -1.402 -3.682 1.00 0.00 H new ATOM 0 HG CYS A 103 -8.306 -4.220 -3.588 1.00 0.00 H new ATOM 1575 N VAL A 104 -5.667 1.311 -3.422 1.00 0.00 N ATOM 1576 CA VAL A 104 -5.685 2.655 -2.858 1.00 0.00 C ATOM 1577 C VAL A 104 -7.108 3.195 -2.810 1.00 0.00 C ATOM 1578 O VAL A 104 -7.719 3.445 -3.846 1.00 0.00 O ATOM 1579 CB VAL A 104 -4.795 3.608 -3.679 1.00 0.00 C ATOM 1580 CG1 VAL A 104 -4.761 4.996 -3.063 1.00 0.00 C ATOM 1581 CG2 VAL A 104 -3.391 3.042 -3.796 1.00 0.00 C ATOM 0 H VAL A 104 -5.288 1.257 -4.368 1.00 0.00 H new ATOM 0 HA VAL A 104 -5.291 2.597 -1.843 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.223 3.698 -4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.125 5.646 -3.665 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.771 5.405 -3.031 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.363 4.935 -2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -2.771 3.724 -4.378 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.963 2.922 -2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -3.430 2.073 -4.293 1.00 0.00 H new ATOM 1591 N ASN A 105 -7.629 3.368 -1.610 1.00 0.00 N ATOM 1592 CA ASN A 105 -8.986 3.855 -1.433 1.00 0.00 C ATOM 1593 C ASN A 105 -9.015 5.369 -1.266 1.00 0.00 C ATOM 1594 O ASN A 105 -8.436 5.915 -0.326 1.00 0.00 O ATOM 1595 CB ASN A 105 -9.634 3.182 -0.226 1.00 0.00 C ATOM 1596 CG ASN A 105 -10.541 2.032 -0.616 1.00 0.00 C ATOM 1597 OD1 ASN A 105 -10.094 0.897 -0.780 1.00 0.00 O ATOM 1598 ND2 ASN A 105 -11.825 2.315 -0.758 1.00 0.00 N ATOM 0 H ASN A 105 -7.132 3.178 -0.740 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.552 3.604 -2.330 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -8.855 2.815 0.442 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -10.210 3.921 0.331 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -12.484 1.579 -1.012 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -12.156 3.269 -0.613 1.00 0.00 H new ATOM 1605 N TYR A 106 -9.699 6.034 -2.183 1.00 0.00 N ATOM 1606 CA TYR A 106 -9.822 7.484 -2.157 1.00 0.00 C ATOM 1607 C TYR A 106 -11.111 7.889 -1.457 1.00 0.00 C ATOM 1608 O TYR A 106 -12.204 7.635 -1.967 1.00 0.00 O ATOM 1609 CB TYR A 106 -9.826 8.050 -3.580 1.00 0.00 C ATOM 1610 CG TYR A 106 -8.566 7.770 -4.366 1.00 0.00 C ATOM 1611 CD1 TYR A 106 -7.451 8.582 -4.229 1.00 0.00 C ATOM 1612 CD2 TYR A 106 -8.496 6.702 -5.253 1.00 0.00 C ATOM 1613 CE1 TYR A 106 -6.299 8.338 -4.950 1.00 0.00 C ATOM 1614 CE2 TYR A 106 -7.346 6.452 -5.976 1.00 0.00 C ATOM 1615 CZ TYR A 106 -6.251 7.274 -5.820 1.00 0.00 C ATOM 1616 OH TYR A 106 -5.104 7.033 -6.538 1.00 0.00 O ATOM 0 H TYR A 106 -10.182 5.588 -2.962 1.00 0.00 H new ATOM 0 HA TYR A 106 -8.967 7.887 -1.613 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.677 7.635 -4.121 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -9.976 9.128 -3.529 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -7.484 9.419 -3.547 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.354 6.058 -5.379 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -5.439 8.980 -4.831 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -7.305 5.617 -6.660 1.00 0.00 H new ATOM 0 HH TYR A 106 -5.233 6.245 -7.106 1.00 0.00 H new ATOM 1626 N VAL A 107 -10.989 8.512 -0.296 1.00 0.00 N ATOM 1627 CA VAL A 107 -12.154 8.949 0.457 1.00 0.00 C ATOM 1628 C VAL A 107 -12.634 10.300 -0.058 1.00 0.00 C ATOM 1629 O VAL A 107 -12.215 11.349 0.432 1.00 0.00 O ATOM 1630 CB VAL A 107 -11.856 9.056 1.965 1.00 0.00 C ATOM 1631 CG1 VAL A 107 -13.149 9.155 2.760 1.00 0.00 C ATOM 1632 CG2 VAL A 107 -11.024 7.873 2.434 1.00 0.00 C ATOM 0 H VAL A 107 -10.095 8.727 0.146 1.00 0.00 H new ATOM 0 HA VAL A 107 -12.932 8.198 0.316 1.00 0.00 H new ATOM 0 HB VAL A 107 -11.279 9.965 2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -12.918 9.230 3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -13.702 10.040 2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -13.754 8.266 2.582 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -10.825 7.968 3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -11.570 6.948 2.248 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -10.080 7.853 1.889 1.00 0.00 H new ATOM 1642 N LEU A 108 -13.491 10.263 -1.068 1.00 0.00 N ATOM 1643 CA LEU A 108 -14.025 11.478 -1.665 1.00 0.00 C ATOM 1644 C LEU A 108 -15.180 12.012 -0.834 1.00 0.00 C ATOM 1645 O LEU A 108 -15.231 13.200 -0.502 1.00 0.00 O ATOM 1646 CB LEU A 108 -14.495 11.203 -3.093 1.00 0.00 C ATOM 1647 CG LEU A 108 -14.976 12.431 -3.864 1.00 0.00 C ATOM 1648 CD1 LEU A 108 -14.033 12.733 -5.014 1.00 0.00 C ATOM 1649 CD2 LEU A 108 -16.389 12.220 -4.380 1.00 0.00 C ATOM 0 H LEU A 108 -13.832 9.401 -1.493 1.00 0.00 H new ATOM 0 HA LEU A 108 -13.234 12.227 -1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -13.676 10.743 -3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -15.305 10.474 -3.059 1.00 0.00 H new ATOM 0 HG LEU A 108 -14.983 13.283 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -14.388 13.610 -5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -13.034 12.927 -4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -13.999 11.879 -5.691 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -16.713 13.106 -4.926 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -16.408 11.356 -5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -17.061 12.046 -3.540 1.00 0.00 H new ATOM 1661 N SER A 109 -16.102 11.127 -0.495 1.00 0.00 N ATOM 1662 CA SER A 109 -17.257 11.500 0.294 1.00 0.00 C ATOM 1663 C SER A 109 -17.277 10.725 1.602 1.00 0.00 C ATOM 1664 O SER A 109 -16.700 9.640 1.700 1.00 0.00 O ATOM 1665 CB SER A 109 -18.538 11.237 -0.491 1.00 0.00 C ATOM 1666 OG SER A 109 -18.476 11.820 -1.782 1.00 0.00 O ATOM 0 H SER A 109 -16.070 10.142 -0.757 1.00 0.00 H new ATOM 0 HA SER A 109 -17.195 12.564 0.520 1.00 0.00 H new ATOM 0 HB2 SER A 109 -18.698 10.163 -0.581 1.00 0.00 H new ATOM 0 HB3 SER A 109 -19.391 11.642 0.053 1.00 0.00 H new ATOM 0 HG SER A 109 -19.309 11.635 -2.265 1.00 0.00 H new ATOM 1672 N GLU A 110 -17.935 11.289 2.603 1.00 0.00 N ATOM 1673 CA GLU A 110 -18.036 10.654 3.904 1.00 0.00 C ATOM 1674 C GLU A 110 -19.154 9.614 3.911 1.00 0.00 C ATOM 1675 O GLU A 110 -19.687 9.256 2.858 1.00 0.00 O ATOM 1676 CB GLU A 110 -18.275 11.704 4.989 1.00 0.00 C ATOM 1677 CG GLU A 110 -19.427 12.648 4.688 1.00 0.00 C ATOM 1678 CD GLU A 110 -19.677 13.619 5.819 1.00 0.00 C ATOM 1679 OE1 GLU A 110 -20.265 13.206 6.840 1.00 0.00 O ATOM 1680 OE2 GLU A 110 -19.277 14.796 5.700 1.00 0.00 O ATOM 0 H GLU A 110 -18.409 12.190 2.537 1.00 0.00 H new ATOM 0 HA GLU A 110 -17.095 10.145 4.113 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -18.470 11.198 5.934 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -17.365 12.288 5.123 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -19.211 13.203 3.775 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -20.331 12.068 4.502 1.00 0.00 H new ATOM 1687 N ILE A 111 -19.502 9.133 5.098 1.00 0.00 N ATOM 1688 CA ILE A 111 -20.544 8.124 5.246 1.00 0.00 C ATOM 1689 C ILE A 111 -21.913 8.692 4.891 1.00 0.00 C ATOM 1690 O ILE A 111 -22.429 9.577 5.581 1.00 0.00 O ATOM 1691 CB ILE A 111 -20.590 7.563 6.684 1.00 0.00 C ATOM 1692 CG1 ILE A 111 -19.173 7.365 7.225 1.00 0.00 C ATOM 1693 CG2 ILE A 111 -21.363 6.252 6.718 1.00 0.00 C ATOM 1694 CD1 ILE A 111 -19.128 7.035 8.701 1.00 0.00 C ATOM 0 H ILE A 111 -19.075 9.427 5.977 1.00 0.00 H new ATOM 0 HA ILE A 111 -20.298 7.315 4.558 1.00 0.00 H new ATOM 0 HB ILE A 111 -21.104 8.283 7.321 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -18.689 6.563 6.667 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -18.595 8.272 7.046 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -21.386 5.870 7.738 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -22.382 6.421 6.371 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -20.875 5.525 6.069 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -18.092 6.908 9.014 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -19.582 7.847 9.269 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -19.678 6.112 8.884 1.00 0.00 H new ATOM 1706 N GLU A 112 -22.483 8.189 3.810 1.00 0.00 N ATOM 1707 CA GLU A 112 -23.788 8.626 3.346 1.00 0.00 C ATOM 1708 C GLU A 112 -24.816 7.521 3.578 1.00 0.00 C ATOM 1709 O GLU A 112 -24.526 6.599 4.371 1.00 0.00 O ATOM 1710 CB GLU A 112 -23.717 8.983 1.858 1.00 0.00 C ATOM 1711 CG GLU A 112 -24.780 9.973 1.411 1.00 0.00 C ATOM 1712 CD GLU A 112 -24.940 10.002 -0.094 1.00 0.00 C ATOM 1713 OE1 GLU A 112 -25.105 8.921 -0.700 1.00 0.00 O ATOM 1714 OE2 GLU A 112 -24.903 11.103 -0.682 1.00 0.00 O ATOM 1715 OXT GLU A 112 -25.913 7.578 2.980 1.00 0.00 O ATOM 0 H GLU A 112 -22.055 7.467 3.230 1.00 0.00 H new ATOM 0 HA GLU A 112 -24.092 9.511 3.905 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -22.733 9.399 1.641 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -23.814 8.070 1.270 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -25.733 9.712 1.871 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -24.518 10.970 1.766 1.00 0.00 H new TER 1722 GLU A 112 ATOM 1723 N CYS B 7 5.367 -17.550 9.357 1.00 1.33 N ATOM 1724 CA CYS B 7 6.651 -16.981 8.890 1.00 1.38 C ATOM 1725 C CYS B 7 6.414 -15.646 8.201 1.00 1.15 C ATOM 1726 O CYS B 7 5.270 -15.259 7.949 1.00 1.28 O ATOM 1727 CB CYS B 7 7.343 -17.943 7.922 1.00 1.79 C ATOM 1728 SG CYS B 7 7.618 -19.602 8.585 1.00 2.58 S ATOM 0 HA CYS B 7 7.294 -16.829 9.757 1.00 1.38 H new ATOM 0 HB2 CYS B 7 6.742 -18.022 7.016 1.00 1.79 H new ATOM 0 HB3 CYS B 7 8.303 -17.518 7.631 1.00 1.79 H new ATOM 0 HG CYS B 7 8.206 -20.336 7.688 1.00 2.58 H new ATOM 1736 N GLN B 8 7.491 -14.936 7.911 1.00 0.90 N ATOM 1737 CA GLN B 8 7.406 -13.646 7.246 1.00 0.76 C ATOM 1738 C GLN B 8 8.047 -13.737 5.865 1.00 0.65 C ATOM 1739 O GLN B 8 9.055 -14.419 5.691 1.00 0.64 O ATOM 1740 CB GLN B 8 8.096 -12.567 8.090 1.00 0.71 C ATOM 1741 CG GLN B 8 7.670 -12.574 9.551 1.00 0.89 C ATOM 1742 CD GLN B 8 6.281 -12.004 9.762 1.00 1.17 C ATOM 1743 OE1 GLN B 8 6.122 -10.832 10.094 1.00 1.79 O ATOM 1744 NE2 GLN B 8 5.265 -12.824 9.553 1.00 1.90 N ATOM 0 H GLN B 8 8.442 -15.234 8.128 1.00 0.90 H new ATOM 0 HA GLN B 8 6.358 -13.371 7.131 1.00 0.76 H new ATOM 0 HB2 GLN B 8 9.175 -12.708 8.034 1.00 0.71 H new ATOM 0 HB3 GLN B 8 7.880 -11.588 7.661 1.00 0.71 H new ATOM 0 HG2 GLN B 8 7.699 -13.596 9.928 1.00 0.89 H new ATOM 0 HG3 GLN B 8 8.387 -11.998 10.136 1.00 0.89 H new ATOM 0 HE21 GLN B 8 5.438 -13.791 9.278 1.00 1.90 H new ATOM 0 HE22 GLN B 8 4.308 -12.490 9.667 1.00 1.90 H new ATOM 1753 N PRO B 9 7.453 -13.082 4.859 1.00 0.64 N ATOM 1754 CA PRO B 9 7.973 -13.097 3.497 1.00 0.56 C ATOM 1755 C PRO B 9 9.036 -12.024 3.260 1.00 0.44 C ATOM 1756 O PRO B 9 9.371 -11.244 4.157 1.00 0.38 O ATOM 1757 CB PRO B 9 6.725 -12.811 2.665 1.00 0.61 C ATOM 1758 CG PRO B 9 5.885 -11.934 3.531 1.00 0.75 C ATOM 1759 CD PRO B 9 6.217 -12.284 4.963 1.00 0.77 C ATOM 0 HA PRO B 9 8.472 -14.035 3.253 1.00 0.56 H new ATOM 0 HB2 PRO B 9 6.979 -12.316 1.728 1.00 0.61 H new ATOM 0 HB3 PRO B 9 6.201 -13.732 2.407 1.00 0.61 H new ATOM 0 HG2 PRO B 9 6.092 -10.882 3.332 1.00 0.75 H new ATOM 0 HG3 PRO B 9 4.826 -12.093 3.330 1.00 0.75 H new ATOM 0 HD2 PRO B 9 6.369 -11.390 5.567 1.00 0.77 H new ATOM 0 HD3 PRO B 9 5.413 -12.852 5.431 1.00 0.77 H new ATOM 1767 N THR B 10 9.557 -11.987 2.044 1.00 0.43 N ATOM 1768 CA THR B 10 10.575 -11.017 1.671 1.00 0.37 C ATOM 1769 C THR B 10 9.933 -9.767 1.073 1.00 0.31 C ATOM 1770 O THR B 10 10.342 -9.281 0.018 1.00 0.39 O ATOM 1771 CB THR B 10 11.570 -11.626 0.664 1.00 0.46 C ATOM 1772 OG1 THR B 10 11.048 -12.863 0.151 1.00 0.88 O ATOM 1773 CG2 THR B 10 12.920 -11.874 1.321 1.00 0.62 C ATOM 0 H THR B 10 9.289 -12.623 1.293 1.00 0.43 H new ATOM 0 HA THR B 10 11.118 -10.738 2.574 1.00 0.37 H new ATOM 0 HB THR B 10 11.707 -10.920 -0.155 1.00 0.46 H new ATOM 0 HG1 THR B 10 11.744 -13.324 -0.363 1.00 0.88 H new ATOM 0 HG21 THR B 10 13.606 -12.304 0.591 1.00 0.62 H new ATOM 0 HG22 THR B 10 13.325 -10.931 1.688 1.00 0.62 H new ATOM 0 HG23 THR B 10 12.797 -12.565 2.155 1.00 0.62 H new ATOM 1781 N GLU B 11 8.933 -9.250 1.771 1.00 0.30 N ATOM 1782 CA GLU B 11 8.213 -8.065 1.337 1.00 0.31 C ATOM 1783 C GLU B 11 7.530 -7.419 2.534 1.00 0.27 C ATOM 1784 O GLU B 11 7.012 -8.120 3.402 1.00 0.31 O ATOM 1785 CB GLU B 11 7.182 -8.444 0.261 1.00 0.45 C ATOM 1786 CG GLU B 11 6.206 -7.330 -0.107 1.00 1.13 C ATOM 1787 CD GLU B 11 4.891 -7.438 0.639 1.00 1.36 C ATOM 1788 OE1 GLU B 11 4.319 -8.548 0.692 1.00 1.65 O ATOM 1789 OE2 GLU B 11 4.416 -6.418 1.181 1.00 1.83 O ATOM 0 H GLU B 11 8.599 -9.640 2.652 1.00 0.30 H new ATOM 0 HA GLU B 11 8.913 -7.350 0.905 1.00 0.31 H new ATOM 0 HB2 GLU B 11 7.713 -8.755 -0.639 1.00 0.45 H new ATOM 0 HB3 GLU B 11 6.613 -9.306 0.609 1.00 0.45 H new ATOM 0 HG2 GLU B 11 6.664 -6.365 0.109 1.00 1.13 H new ATOM 0 HG3 GLU B 11 6.015 -7.359 -1.180 1.00 1.13 H new ATOM 1796 N PHE B 12 7.551 -6.095 2.596 1.00 0.30 N ATOM 1797 CA PHE B 12 6.913 -5.382 3.690 1.00 0.30 C ATOM 1798 C PHE B 12 6.476 -3.985 3.253 1.00 0.27 C ATOM 1799 O PHE B 12 7.109 -3.356 2.403 1.00 0.33 O ATOM 1800 CB PHE B 12 7.840 -5.314 4.915 1.00 0.35 C ATOM 1801 CG PHE B 12 9.059 -4.441 4.756 1.00 0.34 C ATOM 1802 CD1 PHE B 12 10.183 -4.902 4.088 1.00 0.39 C ATOM 1803 CD2 PHE B 12 9.089 -3.166 5.302 1.00 0.42 C ATOM 1804 CE1 PHE B 12 11.308 -4.108 3.962 1.00 0.42 C ATOM 1805 CE2 PHE B 12 10.213 -2.371 5.183 1.00 0.45 C ATOM 1806 CZ PHE B 12 11.323 -2.841 4.512 1.00 0.40 C ATOM 0 H PHE B 12 8.001 -5.496 1.904 1.00 0.30 H new ATOM 0 HA PHE B 12 6.019 -5.936 3.976 1.00 0.30 H new ATOM 0 HB2 PHE B 12 7.263 -4.952 5.766 1.00 0.35 H new ATOM 0 HB3 PHE B 12 8.167 -6.325 5.158 1.00 0.35 H new ATOM 0 HD1 PHE B 12 10.180 -5.894 3.661 1.00 0.39 H new ATOM 0 HD2 PHE B 12 8.223 -2.790 5.827 1.00 0.42 H new ATOM 0 HE1 PHE B 12 12.174 -4.478 3.434 1.00 0.42 H new ATOM 0 HE2 PHE B 12 10.223 -1.381 5.615 1.00 0.45 H new ATOM 0 HZ PHE B 12 12.201 -2.220 4.417 1.00 0.40 H new ATOM 1816 N ILE B 13 5.381 -3.511 3.831 1.00 0.27 N ATOM 1817 CA ILE B 13 4.848 -2.197 3.510 1.00 0.27 C ATOM 1818 C ILE B 13 5.646 -1.102 4.213 1.00 0.29 C ATOM 1819 O ILE B 13 5.905 -1.178 5.413 1.00 0.35 O ATOM 1820 CB ILE B 13 3.356 -2.090 3.909 1.00 0.36 C ATOM 1821 CG1 ILE B 13 2.506 -3.054 3.074 1.00 0.98 C ATOM 1822 CG2 ILE B 13 2.848 -0.664 3.756 1.00 0.85 C ATOM 1823 CD1 ILE B 13 2.568 -2.791 1.583 1.00 1.40 C ATOM 0 H ILE B 13 4.842 -4.022 4.530 1.00 0.27 H new ATOM 0 HA ILE B 13 4.933 -2.062 2.432 1.00 0.27 H new ATOM 0 HB ILE B 13 3.268 -2.368 4.959 1.00 0.36 H new ATOM 0 HG12 ILE B 13 2.836 -4.075 3.267 1.00 0.98 H new ATOM 0 HG13 ILE B 13 1.469 -2.987 3.402 1.00 0.98 H new ATOM 0 HG21 ILE B 13 1.797 -0.619 4.043 1.00 0.85 H new ATOM 0 HG22 ILE B 13 3.428 -0.000 4.397 1.00 0.85 H new ATOM 0 HG23 ILE B 13 2.954 -0.349 2.718 1.00 0.85 H new ATOM 0 HD11 ILE B 13 1.941 -3.513 1.060 1.00 1.40 H new ATOM 0 HD12 ILE B 13 2.210 -1.783 1.376 1.00 1.40 H new ATOM 0 HD13 ILE B 13 3.598 -2.888 1.239 1.00 1.40 H new ATOM 1835 N SER B 14 6.057 -0.101 3.454 1.00 0.34 N ATOM 1836 CA SER B 14 6.812 1.011 4.001 1.00 0.42 C ATOM 1837 C SER B 14 6.075 2.327 3.752 1.00 0.35 C ATOM 1838 O SER B 14 6.148 2.895 2.661 1.00 0.40 O ATOM 1839 CB SER B 14 8.204 1.046 3.370 1.00 0.54 C ATOM 1840 OG SER B 14 8.778 -0.251 3.347 1.00 1.47 O ATOM 0 H SER B 14 5.879 -0.036 2.452 1.00 0.34 H new ATOM 0 HA SER B 14 6.916 0.878 5.078 1.00 0.42 H new ATOM 0 HB2 SER B 14 8.139 1.438 2.355 1.00 0.54 H new ATOM 0 HB3 SER B 14 8.847 1.723 3.933 1.00 0.54 H new ATOM 0 HG SER B 14 9.116 -0.475 4.239 1.00 1.47 H new ATOM 1846 N ARG B 15 5.350 2.797 4.760 1.00 0.31 N ATOM 1847 CA ARG B 15 4.598 4.040 4.643 1.00 0.31 C ATOM 1848 C ARG B 15 5.426 5.220 5.126 1.00 0.27 C ATOM 1849 O ARG B 15 5.874 5.255 6.273 1.00 0.29 O ATOM 1850 CB ARG B 15 3.292 3.971 5.443 1.00 0.42 C ATOM 1851 CG ARG B 15 2.623 5.330 5.624 1.00 0.54 C ATOM 1852 CD ARG B 15 1.526 5.286 6.673 1.00 0.90 C ATOM 1853 NE ARG B 15 0.212 5.031 6.086 1.00 1.40 N ATOM 1854 CZ ARG B 15 -0.871 4.698 6.790 1.00 1.85 C ATOM 1855 NH1 ARG B 15 -0.801 4.570 8.109 1.00 2.03 N ATOM 1856 NH2 ARG B 15 -2.026 4.513 6.169 1.00 2.69 N ATOM 0 H ARG B 15 5.267 2.337 5.666 1.00 0.31 H new ATOM 0 HA ARG B 15 4.359 4.179 3.589 1.00 0.31 H new ATOM 0 HB2 ARG B 15 2.600 3.297 4.938 1.00 0.42 H new ATOM 0 HB3 ARG B 15 3.497 3.541 6.423 1.00 0.42 H new ATOM 0 HG2 ARG B 15 3.372 6.068 5.913 1.00 0.54 H new ATOM 0 HG3 ARG B 15 2.203 5.657 4.673 1.00 0.54 H new ATOM 0 HD2 ARG B 15 1.754 4.508 7.402 1.00 0.90 H new ATOM 0 HD3 ARG B 15 1.504 6.233 7.213 1.00 0.90 H new ATOM 0 HE ARG B 15 0.117 5.113 5.074 1.00 1.40 H new ATOM 0 HH11 ARG B 15 0.085 4.727 8.590 1.00 2.03 H new ATOM 0 HH12 ARG B 15 -1.633 4.315 8.642 1.00 2.03 H new ATOM 0 HH21 ARG B 15 -2.085 4.625 5.157 1.00 2.69 H new ATOM 0 HH22 ARG B 15 -2.857 4.258 6.703 1.00 2.69 H new ATOM 1870 N HIS B 16 5.621 6.184 4.245 1.00 0.28 N ATOM 1871 CA HIS B 16 6.373 7.381 4.575 1.00 0.28 C ATOM 1872 C HIS B 16 5.686 8.594 3.971 1.00 0.32 C ATOM 1873 O HIS B 16 4.961 8.471 2.983 1.00 0.40 O ATOM 1874 CB HIS B 16 7.825 7.285 4.082 1.00 0.32 C ATOM 1875 CG HIS B 16 7.971 7.159 2.596 1.00 0.36 C ATOM 1876 ND1 HIS B 16 7.948 8.240 1.740 1.00 0.54 N ATOM 1877 CD2 HIS B 16 8.154 6.069 1.818 1.00 0.75 C ATOM 1878 CE1 HIS B 16 8.112 7.818 0.501 1.00 0.46 C ATOM 1879 NE2 HIS B 16 8.239 6.504 0.520 1.00 0.61 N ATOM 0 H HIS B 16 5.266 6.161 3.289 1.00 0.28 H new ATOM 0 HA HIS B 16 6.402 7.483 5.660 1.00 0.28 H new ATOM 0 HB2 HIS B 16 8.367 8.171 4.414 1.00 0.32 H new ATOM 0 HB3 HIS B 16 8.300 6.425 4.555 1.00 0.32 H new ATOM 0 HD1 HIS B 16 7.824 9.213 2.021 1.00 0.54 H new ATOM 0 HD2 HIS B 16 8.221 5.045 2.156 1.00 0.75 H new ATOM 0 HE1 HIS B 16 8.138 8.442 -0.380 1.00 0.46 H new ATOM 1888 N ASN B 17 5.907 9.754 4.559 1.00 0.31 N ATOM 1889 CA ASN B 17 5.298 10.979 4.062 1.00 0.39 C ATOM 1890 C ASN B 17 6.071 11.508 2.853 1.00 0.35 C ATOM 1891 O ASN B 17 7.035 10.876 2.401 1.00 0.32 O ATOM 1892 CB ASN B 17 5.211 12.031 5.178 1.00 0.49 C ATOM 1893 CG ASN B 17 6.527 12.725 5.476 1.00 0.95 C ATOM 1894 OD1 ASN B 17 7.609 12.181 5.249 1.00 2.04 O ATOM 1895 ND2 ASN B 17 6.436 13.935 5.997 1.00 0.59 N ATOM 0 H ASN B 17 6.501 9.877 5.379 1.00 0.31 H new ATOM 0 HA ASN B 17 4.282 10.757 3.737 1.00 0.39 H new ATOM 0 HB2 ASN B 17 4.471 12.781 4.899 1.00 0.49 H new ATOM 0 HB3 ASN B 17 4.851 11.551 6.088 1.00 0.49 H new ATOM 0 HD21 ASN B 17 7.282 14.456 6.227 1.00 0.59 H new ATOM 0 HD22 ASN B 17 5.520 14.349 6.169 1.00 0.59 H new ATOM 1902 N ILE B 18 5.646 12.655 2.332 1.00 0.40 N ATOM 1903 CA ILE B 18 6.287 13.261 1.163 1.00 0.45 C ATOM 1904 C ILE B 18 7.759 13.593 1.407 1.00 0.44 C ATOM 1905 O ILE B 18 8.546 13.662 0.465 1.00 0.52 O ATOM 1906 CB ILE B 18 5.558 14.545 0.715 1.00 0.53 C ATOM 1907 CG1 ILE B 18 5.401 15.514 1.892 1.00 0.59 C ATOM 1908 CG2 ILE B 18 4.203 14.202 0.112 1.00 0.57 C ATOM 1909 CD1 ILE B 18 5.153 16.945 1.471 1.00 0.70 C ATOM 0 H ILE B 18 4.858 13.187 2.700 1.00 0.40 H new ATOM 0 HA ILE B 18 6.225 12.511 0.375 1.00 0.45 H new ATOM 0 HB ILE B 18 6.159 15.036 -0.050 1.00 0.53 H new ATOM 0 HG12 ILE B 18 4.574 15.180 2.518 1.00 0.59 H new ATOM 0 HG13 ILE B 18 6.301 15.476 2.506 1.00 0.59 H new ATOM 0 HG21 ILE B 18 3.701 15.118 -0.199 1.00 0.57 H new ATOM 0 HG22 ILE B 18 4.343 13.553 -0.753 1.00 0.57 H new ATOM 0 HG23 ILE B 18 3.593 13.689 0.856 1.00 0.57 H new ATOM 0 HD11 ILE B 18 5.052 17.573 2.357 1.00 0.70 H new ATOM 0 HD12 ILE B 18 5.991 17.298 0.870 1.00 0.70 H new ATOM 0 HD13 ILE B 18 4.237 16.998 0.883 1.00 0.70 H new ATOM 1921 N GLU B 19 8.128 13.791 2.666 1.00 0.41 N ATOM 1922 CA GLU B 19 9.506 14.118 3.015 1.00 0.45 C ATOM 1923 C GLU B 19 10.383 12.872 2.990 1.00 0.41 C ATOM 1924 O GLU B 19 11.602 12.959 2.836 1.00 0.51 O ATOM 1925 CB GLU B 19 9.559 14.771 4.395 1.00 0.50 C ATOM 1926 CG GLU B 19 8.722 16.035 4.493 1.00 0.65 C ATOM 1927 CD GLU B 19 8.670 16.588 5.898 1.00 1.21 C ATOM 1928 OE1 GLU B 19 7.924 16.034 6.730 1.00 1.92 O ATOM 1929 OE2 GLU B 19 9.359 17.588 6.174 1.00 1.28 O ATOM 0 H GLU B 19 7.494 13.731 3.462 1.00 0.41 H new ATOM 0 HA GLU B 19 9.888 14.820 2.274 1.00 0.45 H new ATOM 0 HB2 GLU B 19 9.214 14.056 5.141 1.00 0.50 H new ATOM 0 HB3 GLU B 19 10.595 15.009 4.637 1.00 0.50 H new ATOM 0 HG2 GLU B 19 9.132 16.791 3.824 1.00 0.65 H new ATOM 0 HG3 GLU B 19 7.709 15.823 4.152 1.00 0.65 H new ATOM 1936 N GLY B 20 9.758 11.715 3.138 1.00 0.33 N ATOM 1937 CA GLY B 20 10.494 10.470 3.126 1.00 0.32 C ATOM 1938 C GLY B 20 10.548 9.831 4.494 1.00 0.29 C ATOM 1939 O GLY B 20 11.036 8.713 4.646 1.00 0.34 O ATOM 0 H GLY B 20 8.751 11.616 3.267 1.00 0.33 H new ATOM 0 HA2 GLY B 20 10.028 9.780 2.422 1.00 0.32 H new ATOM 0 HA3 GLY B 20 11.508 10.652 2.771 1.00 0.32 H new ATOM 1943 N ILE B 21 10.026 10.540 5.485 1.00 0.27 N ATOM 1944 CA ILE B 21 10.013 10.050 6.855 1.00 0.28 C ATOM 1945 C ILE B 21 8.963 8.958 7.015 1.00 0.27 C ATOM 1946 O ILE B 21 7.781 9.180 6.737 1.00 0.31 O ATOM 1947 CB ILE B 21 9.711 11.187 7.856 1.00 0.32 C ATOM 1948 CG1 ILE B 21 10.715 12.333 7.692 1.00 0.37 C ATOM 1949 CG2 ILE B 21 9.728 10.663 9.285 1.00 0.41 C ATOM 1950 CD1 ILE B 21 12.139 11.954 8.035 1.00 0.47 C ATOM 0 H ILE B 21 9.604 11.461 5.364 1.00 0.27 H new ATOM 0 HA ILE B 21 11.003 9.647 7.068 1.00 0.28 H new ATOM 0 HB ILE B 21 8.714 11.572 7.643 1.00 0.32 H new ATOM 0 HG12 ILE B 21 10.682 12.687 6.662 1.00 0.37 H new ATOM 0 HG13 ILE B 21 10.408 13.165 8.325 1.00 0.37 H new ATOM 0 HG21 ILE B 21 9.513 11.479 9.974 1.00 0.41 H new ATOM 0 HG22 ILE B 21 8.972 9.885 9.396 1.00 0.41 H new ATOM 0 HG23 ILE B 21 10.711 10.248 9.509 1.00 0.41 H new ATOM 0 HD11 ILE B 21 12.789 12.817 7.894 1.00 0.47 H new ATOM 0 HD12 ILE B 21 12.189 11.628 9.074 1.00 0.47 H new ATOM 0 HD13 ILE B 21 12.466 11.143 7.384 1.00 0.47 H new ATOM 1962 N PHE B 22 9.402 7.780 7.435 1.00 0.25 N ATOM 1963 CA PHE B 22 8.500 6.656 7.637 1.00 0.27 C ATOM 1964 C PHE B 22 7.597 6.904 8.837 1.00 0.28 C ATOM 1965 O PHE B 22 8.074 7.098 9.959 1.00 0.35 O ATOM 1966 CB PHE B 22 9.289 5.362 7.829 1.00 0.31 C ATOM 1967 CG PHE B 22 9.994 4.895 6.589 1.00 0.33 C ATOM 1968 CD1 PHE B 22 9.287 4.289 5.563 1.00 0.36 C ATOM 1969 CD2 PHE B 22 11.361 5.062 6.447 1.00 0.38 C ATOM 1970 CE1 PHE B 22 9.931 3.858 4.421 1.00 0.44 C ATOM 1971 CE2 PHE B 22 12.010 4.631 5.307 1.00 0.45 C ATOM 1972 CZ PHE B 22 11.294 4.029 4.292 1.00 0.46 C ATOM 0 H PHE B 22 10.380 7.578 7.643 1.00 0.25 H new ATOM 0 HA PHE B 22 7.877 6.555 6.748 1.00 0.27 H new ATOM 0 HB2 PHE B 22 10.024 5.509 8.620 1.00 0.31 H new ATOM 0 HB3 PHE B 22 8.610 4.579 8.166 1.00 0.31 H new ATOM 0 HD1 PHE B 22 8.220 4.152 5.658 1.00 0.36 H new ATOM 0 HD2 PHE B 22 11.926 5.535 7.237 1.00 0.38 H new ATOM 0 HE1 PHE B 22 9.368 3.387 3.629 1.00 0.44 H new ATOM 0 HE2 PHE B 22 13.077 4.765 5.210 1.00 0.45 H new ATOM 0 HZ PHE B 22 11.800 3.693 3.399 1.00 0.46 H new ATOM 1982 N THR B 23 6.296 6.909 8.588 1.00 0.27 N ATOM 1983 CA THR B 23 5.312 7.137 9.632 1.00 0.30 C ATOM 1984 C THR B 23 4.694 5.821 10.098 1.00 0.27 C ATOM 1985 O THR B 23 4.111 5.743 11.180 1.00 0.33 O ATOM 1986 CB THR B 23 4.207 8.083 9.136 1.00 0.42 C ATOM 1987 OG1 THR B 23 3.950 7.842 7.742 1.00 1.35 O ATOM 1988 CG2 THR B 23 4.612 9.536 9.340 1.00 1.14 C ATOM 0 H THR B 23 5.896 6.756 7.662 1.00 0.27 H new ATOM 0 HA THR B 23 5.824 7.599 10.476 1.00 0.30 H new ATOM 0 HB THR B 23 3.302 7.891 9.712 1.00 0.42 H new ATOM 0 HG1 THR B 23 3.244 8.446 7.430 1.00 1.35 H new ATOM 0 HG21 THR B 23 3.816 10.189 8.982 1.00 1.14 H new ATOM 0 HG22 THR B 23 4.784 9.720 10.400 1.00 1.14 H new ATOM 0 HG23 THR B 23 5.527 9.740 8.783 1.00 1.14 H new ATOM 1996 N PHE B 24 4.831 4.790 9.273 1.00 0.25 N ATOM 1997 CA PHE B 24 4.304 3.470 9.590 1.00 0.28 C ATOM 1998 C PHE B 24 5.056 2.411 8.796 1.00 0.26 C ATOM 1999 O PHE B 24 5.155 2.496 7.571 1.00 0.27 O ATOM 2000 CB PHE B 24 2.805 3.390 9.285 1.00 0.36 C ATOM 2001 CG PHE B 24 2.169 2.092 9.701 1.00 0.46 C ATOM 2002 CD1 PHE B 24 1.859 1.848 11.031 1.00 0.59 C ATOM 2003 CD2 PHE B 24 1.881 1.114 8.761 1.00 0.51 C ATOM 2004 CE1 PHE B 24 1.275 0.653 11.412 1.00 0.71 C ATOM 2005 CE2 PHE B 24 1.298 -0.081 9.136 1.00 0.61 C ATOM 2006 CZ PHE B 24 0.995 -0.312 10.463 1.00 0.70 C ATOM 0 H PHE B 24 5.307 4.845 8.372 1.00 0.25 H new ATOM 0 HA PHE B 24 4.443 3.290 10.656 1.00 0.28 H new ATOM 0 HB2 PHE B 24 2.297 4.211 9.790 1.00 0.36 H new ATOM 0 HB3 PHE B 24 2.653 3.532 8.215 1.00 0.36 H new ATOM 0 HD1 PHE B 24 2.076 2.599 11.777 1.00 0.59 H new ATOM 0 HD2 PHE B 24 2.116 1.289 7.721 1.00 0.51 H new ATOM 0 HE1 PHE B 24 1.038 0.474 12.450 1.00 0.71 H new ATOM 0 HE2 PHE B 24 1.080 -0.833 8.392 1.00 0.61 H new ATOM 0 HZ PHE B 24 0.540 -1.246 10.759 1.00 0.70 H new ATOM 2016 N VAL B 25 5.591 1.425 9.493 1.00 0.26 N ATOM 2017 CA VAL B 25 6.342 0.358 8.849 1.00 0.27 C ATOM 2018 C VAL B 25 5.708 -0.998 9.133 1.00 0.26 C ATOM 2019 O VAL B 25 5.037 -1.181 10.150 1.00 0.25 O ATOM 2020 CB VAL B 25 7.813 0.340 9.319 1.00 0.34 C ATOM 2021 CG1 VAL B 25 8.694 -0.394 8.318 1.00 0.74 C ATOM 2022 CG2 VAL B 25 8.324 1.755 9.541 1.00 0.78 C ATOM 0 H VAL B 25 5.520 1.339 10.507 1.00 0.26 H new ATOM 0 HA VAL B 25 6.319 0.551 7.777 1.00 0.27 H new ATOM 0 HB VAL B 25 7.857 -0.195 10.268 1.00 0.34 H new ATOM 0 HG11 VAL B 25 9.725 -0.393 8.671 1.00 0.74 H new ATOM 0 HG12 VAL B 25 8.347 -1.422 8.213 1.00 0.74 H new ATOM 0 HG13 VAL B 25 8.641 0.107 7.351 1.00 0.74 H new ATOM 0 HG21 VAL B 25 9.362 1.719 9.872 1.00 0.78 H new ATOM 0 HG22 VAL B 25 8.259 2.316 8.608 1.00 0.78 H new ATOM 0 HG23 VAL B 25 7.717 2.246 10.302 1.00 0.78 H new ATOM 2032 N ASP B 26 5.911 -1.933 8.216 1.00 0.27 N ATOM 2033 CA ASP B 26 5.383 -3.285 8.349 1.00 0.29 C ATOM 2034 C ASP B 26 6.106 -4.040 9.464 1.00 0.24 C ATOM 2035 O ASP B 26 7.035 -3.521 10.077 1.00 0.22 O ATOM 2036 CB ASP B 26 5.555 -4.034 7.027 1.00 0.39 C ATOM 2037 CG ASP B 26 4.492 -5.085 6.782 1.00 0.48 C ATOM 2038 OD1 ASP B 26 4.409 -6.057 7.564 1.00 0.78 O ATOM 2039 OD2 ASP B 26 3.750 -4.955 5.789 1.00 0.72 O ATOM 0 H ASP B 26 6.445 -1.777 7.361 1.00 0.27 H new ATOM 0 HA ASP B 26 4.325 -3.222 8.602 1.00 0.29 H new ATOM 0 HB2 ASP B 26 5.539 -3.316 6.207 1.00 0.39 H new ATOM 0 HB3 ASP B 26 6.535 -4.511 7.014 1.00 0.39 H new ATOM 2044 N HIS B 27 5.690 -5.271 9.703 1.00 0.26 N ATOM 2045 CA HIS B 27 6.293 -6.096 10.737 1.00 0.26 C ATOM 2046 C HIS B 27 6.973 -7.314 10.117 1.00 0.23 C ATOM 2047 O HIS B 27 7.702 -8.041 10.788 1.00 0.26 O ATOM 2048 CB HIS B 27 5.238 -6.541 11.762 1.00 0.34 C ATOM 2049 CG HIS B 27 4.215 -7.504 11.224 1.00 0.50 C ATOM 2050 ND1 HIS B 27 4.273 -8.862 11.448 1.00 0.70 N ATOM 2051 CD2 HIS B 27 3.106 -7.299 10.471 1.00 0.66 C ATOM 2052 CE1 HIS B 27 3.246 -9.448 10.860 1.00 0.86 C ATOM 2053 NE2 HIS B 27 2.521 -8.523 10.262 1.00 0.83 N ATOM 0 H HIS B 27 4.932 -5.724 9.192 1.00 0.26 H new ATOM 0 HA HIS B 27 7.045 -5.500 11.254 1.00 0.26 H new ATOM 0 HB2 HIS B 27 5.745 -7.004 12.609 1.00 0.34 H new ATOM 0 HB3 HIS B 27 4.724 -5.658 12.142 1.00 0.34 H new ATOM 0 HD2 HIS B 27 2.749 -6.348 10.104 1.00 0.66 H new ATOM 0 HE1 HIS B 27 3.035 -10.507 10.868 1.00 0.86 H new ATOM 0 HE2 HIS B 27 1.666 -8.690 9.731 1.00 0.83 H new ATOM 2062 N ARG B 28 6.734 -7.520 8.826 1.00 0.24 N ATOM 2063 CA ARG B 28 7.304 -8.656 8.106 1.00 0.27 C ATOM 2064 C ARG B 28 8.705 -8.337 7.589 1.00 0.24 C ATOM 2065 O ARG B 28 9.367 -9.187 6.991 1.00 0.28 O ATOM 2066 CB ARG B 28 6.387 -9.049 6.945 1.00 0.35 C ATOM 2067 CG ARG B 28 4.979 -9.427 7.385 1.00 0.48 C ATOM 2068 CD ARG B 28 4.005 -9.423 6.220 1.00 0.56 C ATOM 2069 NE ARG B 28 3.907 -8.106 5.597 1.00 0.99 N ATOM 2070 CZ ARG B 28 3.990 -7.891 4.284 1.00 1.26 C ATOM 2071 NH1 ARG B 28 4.125 -8.907 3.441 1.00 1.61 N ATOM 2072 NH2 ARG B 28 3.925 -6.654 3.819 1.00 1.87 N ATOM 0 H ARG B 28 6.147 -6.913 8.254 1.00 0.24 H new ATOM 0 HA ARG B 28 7.386 -9.493 8.799 1.00 0.27 H new ATOM 0 HB2 ARG B 28 6.329 -8.219 6.241 1.00 0.35 H new ATOM 0 HB3 ARG B 28 6.830 -9.889 6.411 1.00 0.35 H new ATOM 0 HG2 ARG B 28 4.994 -10.416 7.843 1.00 0.48 H new ATOM 0 HG3 ARG B 28 4.636 -8.728 8.148 1.00 0.48 H new ATOM 0 HD2 ARG B 28 4.325 -10.153 5.477 1.00 0.56 H new ATOM 0 HD3 ARG B 28 3.020 -9.734 6.569 1.00 0.56 H new ATOM 0 HE ARG B 28 3.766 -7.299 6.205 1.00 0.99 H new ATOM 0 HH11 ARG B 28 4.166 -9.862 3.796 1.00 1.61 H new ATOM 0 HH12 ARG B 28 4.188 -8.733 2.438 1.00 1.61 H new ATOM 0 HH21 ARG B 28 3.812 -5.872 4.464 1.00 1.87 H new ATOM 0 HH22 ARG B 28 3.988 -6.482 2.816 1.00 1.87 H new ATOM 2086 N CYS B 29 9.163 -7.119 7.859 1.00 0.21 N ATOM 2087 CA CYS B 29 10.479 -6.663 7.418 1.00 0.22 C ATOM 2088 C CYS B 29 11.603 -7.463 8.070 1.00 0.22 C ATOM 2089 O CYS B 29 12.737 -7.469 7.582 1.00 0.25 O ATOM 2090 CB CYS B 29 10.641 -5.180 7.745 1.00 0.27 C ATOM 2091 SG CYS B 29 9.952 -4.714 9.347 1.00 1.34 S ATOM 0 H CYS B 29 8.637 -6.423 8.387 1.00 0.21 H new ATOM 0 HA CYS B 29 10.545 -6.817 6.341 1.00 0.22 H new ATOM 0 HB2 CYS B 29 11.701 -4.926 7.727 1.00 0.27 H new ATOM 0 HB3 CYS B 29 10.159 -4.590 6.966 1.00 0.27 H new ATOM 0 HG CYS B 29 10.900 -4.691 10.237 1.00 1.34 H new ATOM 2097 N VAL B 30 11.276 -8.145 9.163 1.00 0.24 N ATOM 2098 CA VAL B 30 12.243 -8.952 9.900 1.00 0.31 C ATOM 2099 C VAL B 30 12.839 -10.048 9.016 1.00 0.33 C ATOM 2100 O VAL B 30 14.027 -10.347 9.100 1.00 0.38 O ATOM 2101 CB VAL B 30 11.595 -9.593 11.146 1.00 0.39 C ATOM 2102 CG1 VAL B 30 12.649 -10.244 12.031 1.00 1.01 C ATOM 2103 CG2 VAL B 30 10.807 -8.553 11.928 1.00 0.92 C ATOM 0 H VAL B 30 10.337 -8.154 9.562 1.00 0.24 H new ATOM 0 HA VAL B 30 13.043 -8.283 10.219 1.00 0.31 H new ATOM 0 HB VAL B 30 10.907 -10.370 10.812 1.00 0.39 H new ATOM 0 HG11 VAL B 30 12.168 -10.689 12.902 1.00 1.01 H new ATOM 0 HG12 VAL B 30 13.168 -11.019 11.468 1.00 1.01 H new ATOM 0 HG13 VAL B 30 13.366 -9.491 12.357 1.00 1.01 H new ATOM 0 HG21 VAL B 30 10.356 -9.021 12.803 1.00 0.92 H new ATOM 0 HG22 VAL B 30 11.476 -7.754 12.247 1.00 0.92 H new ATOM 0 HG23 VAL B 30 10.023 -8.138 11.294 1.00 0.92 H new ATOM 2113 N ALA B 31 12.018 -10.632 8.156 1.00 0.34 N ATOM 2114 CA ALA B 31 12.489 -11.687 7.266 1.00 0.40 C ATOM 2115 C ALA B 31 12.998 -11.103 5.954 1.00 0.39 C ATOM 2116 O ALA B 31 13.769 -11.739 5.232 1.00 0.45 O ATOM 2117 CB ALA B 31 11.387 -12.696 7.002 1.00 0.46 C ATOM 0 H ALA B 31 11.031 -10.397 8.054 1.00 0.34 H new ATOM 0 HA ALA B 31 13.317 -12.198 7.758 1.00 0.40 H new ATOM 0 HB1 ALA B 31 11.759 -13.475 6.336 1.00 0.46 H new ATOM 0 HB2 ALA B 31 11.071 -13.144 7.944 1.00 0.46 H new ATOM 0 HB3 ALA B 31 10.539 -12.195 6.536 1.00 0.46 H new ATOM 2123 N THR B 32 12.568 -9.887 5.658 1.00 0.36 N ATOM 2124 CA THR B 32 12.971 -9.211 4.439 1.00 0.38 C ATOM 2125 C THR B 32 14.405 -8.693 4.541 1.00 0.42 C ATOM 2126 O THR B 32 15.271 -9.081 3.754 1.00 0.48 O ATOM 2127 CB THR B 32 12.029 -8.035 4.131 1.00 0.37 C ATOM 2128 OG1 THR B 32 10.675 -8.414 4.413 1.00 0.36 O ATOM 2129 CG2 THR B 32 12.153 -7.600 2.677 1.00 0.44 C ATOM 0 H THR B 32 11.937 -9.347 6.250 1.00 0.36 H new ATOM 0 HA THR B 32 12.916 -9.940 3.631 1.00 0.38 H new ATOM 0 HB THR B 32 12.312 -7.193 4.763 1.00 0.37 H new ATOM 0 HG1 THR B 32 10.556 -9.368 4.222 1.00 0.36 H new ATOM 0 HG21 THR B 32 11.476 -6.767 2.487 1.00 0.44 H new ATOM 0 HG22 THR B 32 13.178 -7.287 2.477 1.00 0.44 H new ATOM 0 HG23 THR B 32 11.894 -8.434 2.024 1.00 0.44 H new ATOM 2137 N VAL B 33 14.650 -7.823 5.517 1.00 0.42 N ATOM 2138 CA VAL B 33 15.974 -7.241 5.706 1.00 0.52 C ATOM 2139 C VAL B 33 16.445 -7.351 7.153 1.00 0.57 C ATOM 2140 O VAL B 33 17.576 -6.993 7.471 1.00 0.99 O ATOM 2141 CB VAL B 33 16.001 -5.753 5.293 1.00 0.56 C ATOM 2142 CG1 VAL B 33 16.134 -5.613 3.788 1.00 0.67 C ATOM 2143 CG2 VAL B 33 14.754 -5.032 5.782 1.00 0.51 C ATOM 0 H VAL B 33 13.950 -7.506 6.188 1.00 0.42 H new ATOM 0 HA VAL B 33 16.648 -7.812 5.067 1.00 0.52 H new ATOM 0 HB VAL B 33 16.871 -5.292 5.761 1.00 0.56 H new ATOM 0 HG11 VAL B 33 16.151 -4.556 3.521 1.00 0.67 H new ATOM 0 HG12 VAL B 33 17.060 -6.085 3.459 1.00 0.67 H new ATOM 0 HG13 VAL B 33 15.287 -6.097 3.301 1.00 0.67 H new ATOM 0 HG21 VAL B 33 14.796 -3.986 5.479 1.00 0.51 H new ATOM 0 HG22 VAL B 33 13.870 -5.500 5.349 1.00 0.51 H new ATOM 0 HG23 VAL B 33 14.701 -5.093 6.869 1.00 0.51 H new ATOM 2153 N GLY B 34 15.575 -7.827 8.033 1.00 0.36 N ATOM 2154 CA GLY B 34 15.943 -7.958 9.431 1.00 0.38 C ATOM 2155 C GLY B 34 15.678 -6.683 10.204 1.00 0.33 C ATOM 2156 O GLY B 34 15.806 -6.643 11.429 1.00 0.38 O ATOM 0 H GLY B 34 14.626 -8.124 7.807 1.00 0.36 H new ATOM 0 HA2 GLY B 34 15.382 -8.778 9.879 1.00 0.38 H new ATOM 0 HA3 GLY B 34 16.999 -8.216 9.506 1.00 0.38 H new ATOM 2160 N TYR B 35 15.302 -5.642 9.477 1.00 0.32 N ATOM 2161 CA TYR B 35 15.011 -4.351 10.075 1.00 0.31 C ATOM 2162 C TYR B 35 13.693 -4.390 10.830 1.00 0.29 C ATOM 2163 O TYR B 35 12.715 -4.980 10.364 1.00 0.35 O ATOM 2164 CB TYR B 35 14.941 -3.265 9.000 1.00 0.33 C ATOM 2165 CG TYR B 35 16.269 -2.629 8.662 1.00 0.30 C ATOM 2166 CD1 TYR B 35 17.391 -2.839 9.452 1.00 0.39 C ATOM 2167 CD2 TYR B 35 16.393 -1.807 7.551 1.00 0.30 C ATOM 2168 CE1 TYR B 35 18.599 -2.248 9.143 1.00 0.39 C ATOM 2169 CE2 TYR B 35 17.598 -1.215 7.236 1.00 0.30 C ATOM 2170 CZ TYR B 35 18.697 -1.439 8.034 1.00 0.30 C ATOM 2171 OH TYR B 35 19.896 -0.844 7.723 1.00 0.34 O ATOM 0 H TYR B 35 15.191 -5.669 8.463 1.00 0.32 H new ATOM 0 HA TYR B 35 15.816 -4.120 10.773 1.00 0.31 H new ATOM 0 HB2 TYR B 35 14.518 -3.697 8.093 1.00 0.33 H new ATOM 0 HB3 TYR B 35 14.254 -2.487 9.333 1.00 0.33 H new ATOM 0 HD1 TYR B 35 17.317 -3.475 10.322 1.00 0.39 H new ATOM 0 HD2 TYR B 35 15.533 -1.628 6.923 1.00 0.30 H new ATOM 0 HE1 TYR B 35 19.463 -2.419 9.768 1.00 0.39 H new ATOM 0 HE2 TYR B 35 17.679 -0.579 6.367 1.00 0.30 H new ATOM 0 HH TYR B 35 19.864 -0.505 6.804 1.00 0.34 H new ATOM 2181 N GLN B 36 13.678 -3.782 11.998 1.00 0.30 N ATOM 2182 CA GLN B 36 12.475 -3.724 12.803 1.00 0.31 C ATOM 2183 C GLN B 36 11.662 -2.492 12.410 1.00 0.30 C ATOM 2184 O GLN B 36 12.219 -1.522 11.892 1.00 0.35 O ATOM 2185 CB GLN B 36 12.833 -3.692 14.291 1.00 0.40 C ATOM 2186 CG GLN B 36 13.572 -4.933 14.773 1.00 0.42 C ATOM 2187 CD GLN B 36 12.917 -6.225 14.322 1.00 0.81 C ATOM 2188 OE1 GLN B 36 11.947 -6.686 14.924 1.00 1.63 O ATOM 2189 NE2 GLN B 36 13.452 -6.829 13.273 1.00 1.29 N ATOM 0 H GLN B 36 14.487 -3.320 12.412 1.00 0.30 H new ATOM 0 HA GLN B 36 11.873 -4.615 12.623 1.00 0.31 H new ATOM 0 HB2 GLN B 36 13.449 -2.815 14.488 1.00 0.40 H new ATOM 0 HB3 GLN B 36 11.918 -3.577 14.873 1.00 0.40 H new ATOM 0 HG2 GLN B 36 14.598 -4.904 14.405 1.00 0.42 H new ATOM 0 HG3 GLN B 36 13.623 -4.919 15.862 1.00 0.42 H new ATOM 0 HE21 GLN B 36 14.256 -6.415 12.801 1.00 1.29 H new ATOM 0 HE22 GLN B 36 13.061 -7.709 12.936 1.00 1.29 H new ATOM 2198 N PRO B 37 10.340 -2.510 12.636 1.00 0.33 N ATOM 2199 CA PRO B 37 9.461 -1.384 12.292 1.00 0.35 C ATOM 2200 C PRO B 37 9.935 -0.064 12.899 1.00 0.31 C ATOM 2201 O PRO B 37 9.911 0.983 12.250 1.00 0.30 O ATOM 2202 CB PRO B 37 8.109 -1.787 12.893 1.00 0.43 C ATOM 2203 CG PRO B 37 8.157 -3.273 12.995 1.00 0.49 C ATOM 2204 CD PRO B 37 9.595 -3.631 13.239 1.00 0.40 C ATOM 0 HA PRO B 37 9.433 -1.210 11.216 1.00 0.35 H new ATOM 0 HB2 PRO B 37 7.960 -1.329 13.871 1.00 0.43 H new ATOM 0 HB3 PRO B 37 7.283 -1.462 12.260 1.00 0.43 H new ATOM 0 HG2 PRO B 37 7.524 -3.628 13.809 1.00 0.49 H new ATOM 0 HG3 PRO B 37 7.790 -3.738 12.080 1.00 0.49 H new ATOM 0 HD2 PRO B 37 9.809 -3.728 14.303 1.00 0.40 H new ATOM 0 HD3 PRO B 37 9.856 -4.582 12.774 1.00 0.40 H new ATOM 2212 N GLN B 38 10.405 -0.132 14.137 1.00 0.33 N ATOM 2213 CA GLN B 38 10.868 1.049 14.857 1.00 0.35 C ATOM 2214 C GLN B 38 12.205 1.567 14.320 1.00 0.34 C ATOM 2215 O GLN B 38 12.643 2.658 14.684 1.00 0.33 O ATOM 2216 CB GLN B 38 10.978 0.747 16.354 1.00 0.46 C ATOM 2217 CG GLN B 38 9.687 0.220 16.963 1.00 0.57 C ATOM 2218 CD GLN B 38 9.599 -1.297 16.956 1.00 1.14 C ATOM 2219 OE1 GLN B 38 10.300 -1.975 16.199 1.00 2.03 O ATOM 2220 NE2 GLN B 38 8.719 -1.839 17.780 1.00 1.34 N ATOM 0 H GLN B 38 10.476 -1.000 14.668 1.00 0.33 H new ATOM 0 HA GLN B 38 10.130 1.835 14.700 1.00 0.35 H new ATOM 0 HB2 GLN B 38 11.770 0.015 16.512 1.00 0.46 H new ATOM 0 HB3 GLN B 38 11.274 1.655 16.879 1.00 0.46 H new ATOM 0 HG2 GLN B 38 9.604 0.578 17.989 1.00 0.57 H new ATOM 0 HG3 GLN B 38 8.840 0.629 16.413 1.00 0.57 H new ATOM 0 HE21 GLN B 38 8.158 -1.244 18.390 1.00 1.34 H new ATOM 0 HE22 GLN B 38 8.601 -2.852 17.806 1.00 1.34 H new ATOM 2229 N GLU B 39 12.849 0.794 13.450 1.00 0.39 N ATOM 2230 CA GLU B 39 14.125 1.201 12.872 1.00 0.44 C ATOM 2231 C GLU B 39 13.906 2.138 11.692 1.00 0.44 C ATOM 2232 O GLU B 39 14.726 3.014 11.424 1.00 0.53 O ATOM 2233 CB GLU B 39 14.933 -0.015 12.425 1.00 0.55 C ATOM 2234 CG GLU B 39 15.632 -0.730 13.563 1.00 0.59 C ATOM 2235 CD GLU B 39 16.590 -1.786 13.069 1.00 1.16 C ATOM 2236 OE1 GLU B 39 17.746 -1.441 12.745 1.00 1.59 O ATOM 2237 OE2 GLU B 39 16.192 -2.966 13.006 1.00 1.69 O ATOM 0 H GLU B 39 12.510 -0.114 13.131 1.00 0.39 H new ATOM 0 HA GLU B 39 14.687 1.729 13.643 1.00 0.44 H new ATOM 0 HB2 GLU B 39 14.269 -0.716 11.920 1.00 0.55 H new ATOM 0 HB3 GLU B 39 15.677 0.302 11.695 1.00 0.55 H new ATOM 0 HG2 GLU B 39 16.175 -0.003 14.168 1.00 0.59 H new ATOM 0 HG3 GLU B 39 14.888 -1.192 14.212 1.00 0.59 H new ATOM 2244 N LEU B 40 12.799 1.945 10.991 1.00 0.41 N ATOM 2245 CA LEU B 40 12.472 2.779 9.841 1.00 0.44 C ATOM 2246 C LEU B 40 11.693 4.010 10.293 1.00 0.40 C ATOM 2247 O LEU B 40 11.794 5.078 9.691 1.00 0.45 O ATOM 2248 CB LEU B 40 11.645 1.995 8.812 1.00 0.50 C ATOM 2249 CG LEU B 40 12.414 0.998 7.934 1.00 0.53 C ATOM 2250 CD1 LEU B 40 13.653 1.644 7.339 1.00 1.10 C ATOM 2251 CD2 LEU B 40 12.783 -0.253 8.719 1.00 1.24 C ATOM 0 H LEU B 40 12.112 1.220 11.197 1.00 0.41 H new ATOM 0 HA LEU B 40 13.405 3.091 9.372 1.00 0.44 H new ATOM 0 HB2 LEU B 40 10.865 1.450 9.344 1.00 0.50 H new ATOM 0 HB3 LEU B 40 11.145 2.710 8.159 1.00 0.50 H new ATOM 0 HG LEU B 40 11.759 0.700 7.116 1.00 0.53 H new ATOM 0 HD11 LEU B 40 14.181 0.918 6.721 1.00 1.10 H new ATOM 0 HD12 LEU B 40 13.360 2.497 6.727 1.00 1.10 H new ATOM 0 HD13 LEU B 40 14.308 1.982 8.142 1.00 1.10 H new ATOM 0 HD21 LEU B 40 13.327 -0.941 8.072 1.00 1.24 H new ATOM 0 HD22 LEU B 40 13.411 0.021 9.566 1.00 1.24 H new ATOM 0 HD23 LEU B 40 11.876 -0.736 9.081 1.00 1.24 H new ATOM 2263 N LEU B 41 10.921 3.842 11.360 1.00 0.34 N ATOM 2264 CA LEU B 41 10.106 4.922 11.914 1.00 0.34 C ATOM 2265 C LEU B 41 10.946 6.153 12.248 1.00 0.38 C ATOM 2266 O LEU B 41 11.872 6.084 13.058 1.00 0.43 O ATOM 2267 CB LEU B 41 9.382 4.439 13.173 1.00 0.29 C ATOM 2268 CG LEU B 41 8.107 3.633 12.920 1.00 0.28 C ATOM 2269 CD1 LEU B 41 7.621 2.980 14.203 1.00 0.30 C ATOM 2270 CD2 LEU B 41 7.027 4.526 12.334 1.00 0.30 C ATOM 0 H LEU B 41 10.841 2.959 11.865 1.00 0.34 H new ATOM 0 HA LEU B 41 9.378 5.207 11.154 1.00 0.34 H new ATOM 0 HB2 LEU B 41 10.070 3.827 13.757 1.00 0.29 H new ATOM 0 HB3 LEU B 41 9.130 5.306 13.783 1.00 0.29 H new ATOM 0 HG LEU B 41 8.334 2.845 12.202 1.00 0.28 H new ATOM 0 HD11 LEU B 41 6.713 2.412 14.001 1.00 0.30 H new ATOM 0 HD12 LEU B 41 8.391 2.310 14.585 1.00 0.30 H new ATOM 0 HD13 LEU B 41 7.409 3.750 14.945 1.00 0.30 H new ATOM 0 HD21 LEU B 41 6.125 3.939 12.159 1.00 0.30 H new ATOM 0 HD22 LEU B 41 6.805 5.334 13.031 1.00 0.30 H new ATOM 0 HD23 LEU B 41 7.375 4.947 11.391 1.00 0.30 H new ATOM 2282 N GLY B 42 10.621 7.272 11.612 1.00 0.43 N ATOM 2283 CA GLY B 42 11.342 8.507 11.861 1.00 0.51 C ATOM 2284 C GLY B 42 12.667 8.581 11.129 1.00 0.49 C ATOM 2285 O GLY B 42 13.496 9.448 11.416 1.00 0.53 O ATOM 0 H GLY B 42 9.869 7.347 10.927 1.00 0.43 H new ATOM 0 HA2 GLY B 42 10.720 9.350 11.560 1.00 0.51 H new ATOM 0 HA3 GLY B 42 11.519 8.607 12.932 1.00 0.51 H new ATOM 2289 N LYS B 43 12.875 7.672 10.192 1.00 0.46 N ATOM 2290 CA LYS B 43 14.105 7.640 9.419 1.00 0.47 C ATOM 2291 C LYS B 43 13.810 7.821 7.938 1.00 0.40 C ATOM 2292 O LYS B 43 12.648 7.833 7.523 1.00 0.50 O ATOM 2293 CB LYS B 43 14.841 6.316 9.642 1.00 0.57 C ATOM 2294 CG LYS B 43 15.406 6.148 11.044 1.00 0.73 C ATOM 2295 CD LYS B 43 16.863 6.579 11.114 1.00 0.81 C ATOM 2296 CE LYS B 43 16.993 8.089 11.188 1.00 1.70 C ATOM 2297 NZ LYS B 43 18.407 8.531 11.085 1.00 2.45 N ATOM 0 H LYS B 43 12.205 6.943 9.947 1.00 0.46 H new ATOM 0 HA LYS B 43 14.739 8.460 9.755 1.00 0.47 H new ATOM 0 HB2 LYS B 43 14.156 5.493 9.437 1.00 0.57 H new ATOM 0 HB3 LYS B 43 15.656 6.240 8.922 1.00 0.57 H new ATOM 0 HG2 LYS B 43 14.817 6.737 11.747 1.00 0.73 H new ATOM 0 HG3 LYS B 43 15.319 5.105 11.350 1.00 0.73 H new ATOM 0 HD2 LYS B 43 17.335 6.129 11.987 1.00 0.81 H new ATOM 0 HD3 LYS B 43 17.395 6.209 10.238 1.00 0.81 H new ATOM 0 HE2 LYS B 43 16.412 8.543 10.385 1.00 1.70 H new ATOM 0 HE3 LYS B 43 16.570 8.444 12.128 1.00 1.70 H new ATOM 0 HZ1 LYS B 43 18.446 9.570 11.072 1.00 2.45 H new ATOM 0 HZ2 LYS B 43 18.942 8.175 11.902 1.00 2.45 H new ATOM 0 HZ3 LYS B 43 18.824 8.158 10.209 1.00 2.45 H new ATOM 2311 N ASN B 44 14.865 7.971 7.152 1.00 0.32 N ATOM 2312 CA ASN B 44 14.734 8.140 5.716 1.00 0.29 C ATOM 2313 C ASN B 44 15.231 6.894 5.001 1.00 0.28 C ATOM 2314 O ASN B 44 16.243 6.312 5.387 1.00 0.30 O ATOM 2315 CB ASN B 44 15.529 9.356 5.237 1.00 0.30 C ATOM 2316 CG ASN B 44 14.786 10.660 5.436 1.00 0.91 C ATOM 2317 OD1 ASN B 44 14.929 11.322 6.466 1.00 1.92 O ATOM 2318 ND2 ASN B 44 13.996 11.045 4.446 1.00 0.70 N ATOM 0 H ASN B 44 15.828 7.979 7.489 1.00 0.32 H new ATOM 0 HA ASN B 44 13.681 8.299 5.485 1.00 0.29 H new ATOM 0 HB2 ASN B 44 16.477 9.398 5.773 1.00 0.30 H new ATOM 0 HB3 ASN B 44 15.766 9.236 4.180 1.00 0.30 H new ATOM 0 HD21 ASN B 44 13.477 11.920 4.519 1.00 0.70 H new ATOM 0 HD22 ASN B 44 13.906 10.467 3.611 1.00 0.70 H new ATOM 2325 N ILE B 45 14.528 6.499 3.949 1.00 0.25 N ATOM 2326 CA ILE B 45 14.897 5.313 3.181 1.00 0.25 C ATOM 2327 C ILE B 45 16.251 5.504 2.494 1.00 0.24 C ATOM 2328 O ILE B 45 16.975 4.540 2.244 1.00 0.31 O ATOM 2329 CB ILE B 45 13.809 4.959 2.138 1.00 0.25 C ATOM 2330 CG1 ILE B 45 14.140 3.640 1.435 1.00 0.27 C ATOM 2331 CG2 ILE B 45 13.644 6.080 1.126 1.00 0.24 C ATOM 2332 CD1 ILE B 45 12.999 3.083 0.609 1.00 0.28 C ATOM 0 H ILE B 45 13.698 6.982 3.606 1.00 0.25 H new ATOM 0 HA ILE B 45 14.980 4.482 3.881 1.00 0.25 H new ATOM 0 HB ILE B 45 12.863 4.837 2.665 1.00 0.25 H new ATOM 0 HG12 ILE B 45 15.004 3.791 0.788 1.00 0.27 H new ATOM 0 HG13 ILE B 45 14.428 2.902 2.184 1.00 0.27 H new ATOM 0 HG21 ILE B 45 12.874 5.808 0.404 1.00 0.24 H new ATOM 0 HG22 ILE B 45 13.351 6.995 1.641 1.00 0.24 H new ATOM 0 HG23 ILE B 45 14.588 6.243 0.606 1.00 0.24 H new ATOM 0 HD11 ILE B 45 13.310 2.148 0.142 1.00 0.28 H new ATOM 0 HD12 ILE B 45 12.140 2.898 1.253 1.00 0.28 H new ATOM 0 HD13 ILE B 45 12.725 3.801 -0.164 1.00 0.28 H new ATOM 2344 N VAL B 46 16.604 6.758 2.233 1.00 0.21 N ATOM 2345 CA VAL B 46 17.870 7.083 1.586 1.00 0.23 C ATOM 2346 C VAL B 46 19.056 6.713 2.483 1.00 0.23 C ATOM 2347 O VAL B 46 20.162 6.459 2.001 1.00 0.29 O ATOM 2348 CB VAL B 46 17.936 8.585 1.213 1.00 0.26 C ATOM 2349 CG1 VAL B 46 17.876 9.467 2.452 1.00 1.08 C ATOM 2350 CG2 VAL B 46 19.185 8.891 0.400 1.00 1.15 C ATOM 0 H VAL B 46 16.029 7.569 2.461 1.00 0.21 H new ATOM 0 HA VAL B 46 17.930 6.496 0.670 1.00 0.23 H new ATOM 0 HB VAL B 46 17.064 8.808 0.599 1.00 0.26 H new ATOM 0 HG11 VAL B 46 17.925 10.515 2.155 1.00 1.08 H new ATOM 0 HG12 VAL B 46 16.943 9.283 2.984 1.00 1.08 H new ATOM 0 HG13 VAL B 46 18.718 9.235 3.105 1.00 1.08 H new ATOM 0 HG21 VAL B 46 19.206 9.952 0.151 1.00 1.15 H new ATOM 0 HG22 VAL B 46 20.070 8.637 0.983 1.00 1.15 H new ATOM 0 HG23 VAL B 46 19.175 8.303 -0.518 1.00 1.15 H new ATOM 2360 N GLU B 47 18.810 6.650 3.788 1.00 0.23 N ATOM 2361 CA GLU B 47 19.854 6.317 4.750 1.00 0.27 C ATOM 2362 C GLU B 47 20.191 4.834 4.692 1.00 0.25 C ATOM 2363 O GLU B 47 21.301 4.424 5.023 1.00 0.35 O ATOM 2364 CB GLU B 47 19.416 6.683 6.168 1.00 0.34 C ATOM 2365 CG GLU B 47 19.016 8.139 6.331 1.00 0.42 C ATOM 2366 CD GLU B 47 18.601 8.467 7.748 1.00 1.07 C ATOM 2367 OE1 GLU B 47 19.491 8.639 8.604 1.00 1.06 O ATOM 2368 OE2 GLU B 47 17.385 8.557 8.016 1.00 1.96 O ATOM 0 H GLU B 47 17.895 6.826 4.204 1.00 0.23 H new ATOM 0 HA GLU B 47 20.742 6.893 4.489 1.00 0.27 H new ATOM 0 HB2 GLU B 47 18.575 6.051 6.453 1.00 0.34 H new ATOM 0 HB3 GLU B 47 20.230 6.460 6.858 1.00 0.34 H new ATOM 0 HG2 GLU B 47 19.851 8.777 6.043 1.00 0.42 H new ATOM 0 HG3 GLU B 47 18.193 8.365 5.653 1.00 0.42 H new ATOM 2375 N PHE B 48 19.227 4.032 4.265 1.00 0.22 N ATOM 2376 CA PHE B 48 19.417 2.592 4.172 1.00 0.26 C ATOM 2377 C PHE B 48 19.501 2.164 2.714 1.00 0.26 C ATOM 2378 O PHE B 48 19.403 0.981 2.392 1.00 0.33 O ATOM 2379 CB PHE B 48 18.269 1.865 4.876 1.00 0.32 C ATOM 2380 CG PHE B 48 17.952 2.430 6.233 1.00 0.35 C ATOM 2381 CD1 PHE B 48 18.805 2.218 7.303 1.00 0.40 C ATOM 2382 CD2 PHE B 48 16.805 3.182 6.434 1.00 0.39 C ATOM 2383 CE1 PHE B 48 18.520 2.742 8.549 1.00 0.45 C ATOM 2384 CE2 PHE B 48 16.515 3.709 7.679 1.00 0.45 C ATOM 2385 CZ PHE B 48 17.375 3.488 8.737 1.00 0.46 C ATOM 0 H PHE B 48 18.303 4.355 3.977 1.00 0.22 H new ATOM 0 HA PHE B 48 20.353 2.328 4.664 1.00 0.26 H new ATOM 0 HB2 PHE B 48 17.377 1.917 4.251 1.00 0.32 H new ATOM 0 HB3 PHE B 48 18.525 0.811 4.980 1.00 0.32 H new ATOM 0 HD1 PHE B 48 19.704 1.636 7.162 1.00 0.40 H new ATOM 0 HD2 PHE B 48 16.130 3.358 5.609 1.00 0.39 H new ATOM 0 HE1 PHE B 48 19.193 2.568 9.375 1.00 0.45 H new ATOM 0 HE2 PHE B 48 15.618 4.292 7.824 1.00 0.45 H new ATOM 0 HZ PHE B 48 17.151 3.899 9.710 1.00 0.46 H new ATOM 2395 N CYS B 49 19.686 3.138 1.838 1.00 0.23 N ATOM 2396 CA CYS B 49 19.785 2.872 0.416 1.00 0.28 C ATOM 2397 C CYS B 49 21.241 2.912 -0.030 1.00 0.30 C ATOM 2398 O CYS B 49 22.070 3.590 0.587 1.00 0.38 O ATOM 2399 CB CYS B 49 18.964 3.897 -0.374 1.00 0.31 C ATOM 2400 SG CYS B 49 18.934 3.608 -2.159 1.00 1.17 S ATOM 0 H CYS B 49 19.771 4.123 2.090 1.00 0.23 H new ATOM 0 HA CYS B 49 19.386 1.877 0.221 1.00 0.28 H new ATOM 0 HB2 CYS B 49 17.940 3.892 0.001 1.00 0.31 H new ATOM 0 HB3 CYS B 49 19.368 4.892 -0.185 1.00 0.31 H new ATOM 0 HG CYS B 49 18.258 2.527 -2.412 1.00 1.17 H new ATOM 2406 N HIS B 50 21.544 2.156 -1.077 1.00 0.32 N ATOM 2407 CA HIS B 50 22.884 2.102 -1.643 1.00 0.38 C ATOM 2408 C HIS B 50 23.294 3.492 -2.123 1.00 0.32 C ATOM 2409 O HIS B 50 22.537 4.140 -2.835 1.00 0.31 O ATOM 2410 CB HIS B 50 22.898 1.103 -2.804 1.00 0.54 C ATOM 2411 CG HIS B 50 24.264 0.691 -3.260 1.00 0.41 C ATOM 2412 ND1 HIS B 50 24.611 0.599 -4.587 1.00 1.06 N ATOM 2413 CD2 HIS B 50 25.362 0.322 -2.560 1.00 1.18 C ATOM 2414 CE1 HIS B 50 25.864 0.195 -4.685 1.00 0.87 C ATOM 2415 NE2 HIS B 50 26.342 0.019 -3.467 1.00 1.08 N ATOM 0 H HIS B 50 20.867 1.563 -1.557 1.00 0.32 H new ATOM 0 HA HIS B 50 23.596 1.775 -0.886 1.00 0.38 H new ATOM 0 HB2 HIS B 50 22.346 0.212 -2.505 1.00 0.54 H new ATOM 0 HB3 HIS B 50 22.365 1.540 -3.648 1.00 0.54 H new ATOM 0 HD1 HIS B 50 23.996 0.810 -5.373 1.00 1.06 H new ATOM 0 HD2 HIS B 50 25.449 0.275 -1.485 1.00 1.18 H new ATOM 0 HE1 HIS B 50 26.406 0.036 -5.605 1.00 0.87 H new ATOM 2424 N PRO B 51 24.487 3.967 -1.722 1.00 0.35 N ATOM 2425 CA PRO B 51 25.001 5.293 -2.095 1.00 0.38 C ATOM 2426 C PRO B 51 24.806 5.644 -3.571 1.00 0.36 C ATOM 2427 O PRO B 51 24.281 6.706 -3.896 1.00 0.46 O ATOM 2428 CB PRO B 51 26.487 5.183 -1.763 1.00 0.47 C ATOM 2429 CG PRO B 51 26.537 4.239 -0.615 1.00 0.72 C ATOM 2430 CD PRO B 51 25.434 3.245 -0.849 1.00 0.44 C ATOM 0 HA PRO B 51 24.472 6.087 -1.568 1.00 0.38 H new ATOM 0 HB2 PRO B 51 27.058 4.807 -2.612 1.00 0.47 H new ATOM 0 HB3 PRO B 51 26.909 6.153 -1.499 1.00 0.47 H new ATOM 0 HG2 PRO B 51 27.505 3.742 -0.560 1.00 0.72 H new ATOM 0 HG3 PRO B 51 26.395 4.765 0.329 1.00 0.72 H new ATOM 0 HD2 PRO B 51 25.807 2.339 -1.327 1.00 0.44 H new ATOM 0 HD3 PRO B 51 24.964 2.942 0.086 1.00 0.44 H new ATOM 2438 N GLU B 52 25.217 4.752 -4.456 1.00 0.37 N ATOM 2439 CA GLU B 52 25.099 4.988 -5.895 1.00 0.38 C ATOM 2440 C GLU B 52 23.654 4.882 -6.386 1.00 0.37 C ATOM 2441 O GLU B 52 23.345 5.272 -7.508 1.00 0.40 O ATOM 2442 CB GLU B 52 25.979 4.006 -6.666 1.00 0.45 C ATOM 2443 CG GLU B 52 27.432 4.021 -6.224 1.00 0.78 C ATOM 2444 CD GLU B 52 27.747 2.933 -5.221 1.00 1.36 C ATOM 2445 OE1 GLU B 52 27.183 2.957 -4.107 1.00 2.04 O ATOM 2446 OE2 GLU B 52 28.553 2.039 -5.548 1.00 1.70 O ATOM 0 H GLU B 52 25.636 3.856 -4.209 1.00 0.37 H new ATOM 0 HA GLU B 52 25.435 6.008 -6.079 1.00 0.38 H new ATOM 0 HB2 GLU B 52 25.580 2.999 -6.543 1.00 0.45 H new ATOM 0 HB3 GLU B 52 25.928 4.242 -7.729 1.00 0.45 H new ATOM 0 HG2 GLU B 52 28.074 3.903 -7.097 1.00 0.78 H new ATOM 0 HG3 GLU B 52 27.665 4.992 -5.786 1.00 0.78 H new ATOM 2453 N ASP B 53 22.774 4.369 -5.545 1.00 0.36 N ATOM 2454 CA ASP B 53 21.371 4.211 -5.914 1.00 0.37 C ATOM 2455 C ASP B 53 20.505 5.228 -5.179 1.00 0.38 C ATOM 2456 O ASP B 53 19.278 5.220 -5.303 1.00 0.42 O ATOM 2457 CB ASP B 53 20.890 2.790 -5.596 1.00 0.47 C ATOM 2458 CG ASP B 53 21.512 1.739 -6.498 1.00 0.48 C ATOM 2459 OD1 ASP B 53 20.988 1.510 -7.606 1.00 1.09 O ATOM 2460 OD2 ASP B 53 22.527 1.127 -6.097 1.00 1.10 O ATOM 0 H ASP B 53 23.002 4.054 -4.602 1.00 0.36 H new ATOM 0 HA ASP B 53 21.280 4.383 -6.986 1.00 0.37 H new ATOM 0 HB2 ASP B 53 21.126 2.556 -4.558 1.00 0.47 H new ATOM 0 HB3 ASP B 53 19.805 2.749 -5.693 1.00 0.47 H new ATOM 2465 N GLN B 54 21.153 6.114 -4.432 1.00 0.41 N ATOM 2466 CA GLN B 54 20.448 7.133 -3.663 1.00 0.47 C ATOM 2467 C GLN B 54 19.711 8.105 -4.575 1.00 0.50 C ATOM 2468 O GLN B 54 18.493 8.273 -4.457 1.00 0.53 O ATOM 2469 CB GLN B 54 21.418 7.891 -2.757 1.00 0.56 C ATOM 2470 CG GLN B 54 21.892 7.075 -1.568 1.00 0.65 C ATOM 2471 CD GLN B 54 22.725 7.885 -0.596 1.00 0.69 C ATOM 2472 OE1 GLN B 54 23.418 8.827 -0.982 1.00 1.10 O ATOM 2473 NE2 GLN B 54 22.658 7.528 0.675 1.00 0.80 N ATOM 0 H GLN B 54 22.168 6.147 -4.342 1.00 0.41 H new ATOM 0 HA GLN B 54 19.710 6.626 -3.042 1.00 0.47 H new ATOM 0 HB2 GLN B 54 22.283 8.203 -3.343 1.00 0.56 H new ATOM 0 HB3 GLN B 54 20.933 8.798 -2.396 1.00 0.56 H new ATOM 0 HG2 GLN B 54 21.027 6.666 -1.046 1.00 0.65 H new ATOM 0 HG3 GLN B 54 22.479 6.228 -1.925 1.00 0.65 H new ATOM 0 HE21 GLN B 54 22.072 6.741 0.954 1.00 0.80 H new ATOM 0 HE22 GLN B 54 23.193 8.039 1.377 1.00 0.80 H new ATOM 2482 N GLN B 55 20.442 8.730 -5.494 1.00 0.54 N ATOM 2483 CA GLN B 55 19.840 9.679 -6.423 1.00 0.61 C ATOM 2484 C GLN B 55 18.790 8.976 -7.279 1.00 0.52 C ATOM 2485 O GLN B 55 17.784 9.575 -7.660 1.00 0.52 O ATOM 2486 CB GLN B 55 20.909 10.338 -7.303 1.00 0.76 C ATOM 2487 CG GLN B 55 20.354 11.335 -8.315 1.00 1.33 C ATOM 2488 CD GLN B 55 19.544 12.454 -7.679 1.00 1.73 C ATOM 2489 OE1 GLN B 55 19.829 12.901 -6.566 1.00 2.72 O ATOM 2490 NE2 GLN B 55 18.527 12.918 -8.390 1.00 1.51 N ATOM 0 H GLN B 55 21.446 8.597 -5.614 1.00 0.54 H new ATOM 0 HA GLN B 55 19.353 10.466 -5.848 1.00 0.61 H new ATOM 0 HB2 GLN B 55 21.628 10.849 -6.662 1.00 0.76 H new ATOM 0 HB3 GLN B 55 21.455 9.560 -7.837 1.00 0.76 H new ATOM 0 HG2 GLN B 55 21.181 11.769 -8.877 1.00 1.33 H new ATOM 0 HG3 GLN B 55 19.726 10.804 -9.031 1.00 1.33 H new ATOM 0 HE21 GLN B 55 18.323 12.522 -9.307 1.00 1.51 H new ATOM 0 HE22 GLN B 55 17.948 13.672 -8.020 1.00 1.51 H new ATOM 2499 N LEU B 56 19.026 7.697 -7.562 1.00 0.51 N ATOM 2500 CA LEU B 56 18.092 6.897 -8.340 1.00 0.51 C ATOM 2501 C LEU B 56 16.754 6.817 -7.611 1.00 0.42 C ATOM 2502 O LEU B 56 15.698 7.063 -8.197 1.00 0.42 O ATOM 2503 CB LEU B 56 18.659 5.491 -8.570 1.00 0.60 C ATOM 2504 CG LEU B 56 17.689 4.484 -9.193 1.00 0.63 C ATOM 2505 CD1 LEU B 56 17.303 4.900 -10.604 1.00 1.29 C ATOM 2506 CD2 LEU B 56 18.304 3.095 -9.193 1.00 1.42 C ATOM 0 H LEU B 56 19.861 7.194 -7.261 1.00 0.51 H new ATOM 0 HA LEU B 56 17.940 7.369 -9.311 1.00 0.51 H new ATOM 0 HB2 LEU B 56 19.535 5.572 -9.214 1.00 0.60 H new ATOM 0 HB3 LEU B 56 19.002 5.095 -7.614 1.00 0.60 H new ATOM 0 HG LEU B 56 16.781 4.464 -8.590 1.00 0.63 H new ATOM 0 HD11 LEU B 56 16.613 4.168 -11.023 1.00 1.29 H new ATOM 0 HD12 LEU B 56 16.821 5.877 -10.576 1.00 1.29 H new ATOM 0 HD13 LEU B 56 18.197 4.954 -11.225 1.00 1.29 H new ATOM 0 HD21 LEU B 56 17.605 2.387 -9.639 1.00 1.42 H new ATOM 0 HD22 LEU B 56 19.227 3.106 -9.772 1.00 1.42 H new ATOM 0 HD23 LEU B 56 18.522 2.794 -8.168 1.00 1.42 H new ATOM 2518 N LEU B 57 16.812 6.494 -6.324 1.00 0.40 N ATOM 2519 CA LEU B 57 15.614 6.403 -5.498 1.00 0.39 C ATOM 2520 C LEU B 57 14.949 7.771 -5.396 1.00 0.37 C ATOM 2521 O LEU B 57 13.729 7.892 -5.490 1.00 0.39 O ATOM 2522 CB LEU B 57 15.976 5.905 -4.097 1.00 0.48 C ATOM 2523 CG LEU B 57 15.151 4.726 -3.576 1.00 0.60 C ATOM 2524 CD1 LEU B 57 15.450 4.484 -2.107 1.00 1.01 C ATOM 2525 CD2 LEU B 57 13.664 4.972 -3.782 1.00 1.15 C ATOM 0 H LEU B 57 17.680 6.290 -5.828 1.00 0.40 H new ATOM 0 HA LEU B 57 14.923 5.698 -5.960 1.00 0.39 H new ATOM 0 HB2 LEU B 57 17.027 5.618 -4.094 1.00 0.48 H new ATOM 0 HB3 LEU B 57 15.871 6.735 -3.398 1.00 0.48 H new ATOM 0 HG LEU B 57 15.429 3.837 -4.142 1.00 0.60 H new ATOM 0 HD11 LEU B 57 14.857 3.643 -1.749 1.00 1.01 H new ATOM 0 HD12 LEU B 57 16.509 4.260 -1.984 1.00 1.01 H new ATOM 0 HD13 LEU B 57 15.199 5.376 -1.533 1.00 1.01 H new ATOM 0 HD21 LEU B 57 13.099 4.120 -3.404 1.00 1.15 H new ATOM 0 HD22 LEU B 57 13.366 5.873 -3.245 1.00 1.15 H new ATOM 0 HD23 LEU B 57 13.460 5.100 -4.845 1.00 1.15 H new ATOM 2537 N ARG B 58 15.776 8.793 -5.218 1.00 0.42 N ATOM 2538 CA ARG B 58 15.305 10.168 -5.098 1.00 0.50 C ATOM 2539 C ARG B 58 14.554 10.588 -6.360 1.00 0.44 C ATOM 2540 O ARG B 58 13.447 11.128 -6.288 1.00 0.44 O ATOM 2541 CB ARG B 58 16.496 11.092 -4.850 1.00 0.65 C ATOM 2542 CG ARG B 58 16.120 12.508 -4.463 1.00 1.08 C ATOM 2543 CD ARG B 58 17.360 13.308 -4.115 1.00 1.12 C ATOM 2544 NE ARG B 58 17.060 14.701 -3.800 1.00 1.90 N ATOM 2545 CZ ARG B 58 17.829 15.722 -4.172 1.00 2.21 C ATOM 2546 NH1 ARG B 58 18.919 15.506 -4.899 1.00 1.97 N ATOM 2547 NH2 ARG B 58 17.502 16.958 -3.818 1.00 3.01 N ATOM 0 H ARG B 58 16.789 8.694 -5.153 1.00 0.42 H new ATOM 0 HA ARG B 58 14.616 10.239 -4.256 1.00 0.50 H new ATOM 0 HB2 ARG B 58 17.114 10.664 -4.060 1.00 0.65 H new ATOM 0 HB3 ARG B 58 17.108 11.125 -5.751 1.00 0.65 H new ATOM 0 HG2 ARG B 58 15.589 12.988 -5.285 1.00 1.08 H new ATOM 0 HG3 ARG B 58 15.440 12.491 -3.611 1.00 1.08 H new ATOM 0 HD2 ARG B 58 17.858 12.846 -3.263 1.00 1.12 H new ATOM 0 HD3 ARG B 58 18.058 13.271 -4.951 1.00 1.12 H new ATOM 0 HE ARG B 58 16.215 14.903 -3.266 1.00 1.90 H new ATOM 0 HH11 ARG B 58 19.169 14.556 -5.174 1.00 1.97 H new ATOM 0 HH12 ARG B 58 19.506 16.290 -5.183 1.00 1.97 H new ATOM 0 HH21 ARG B 58 16.663 17.124 -3.262 1.00 3.01 H new ATOM 0 HH22 ARG B 58 18.089 17.742 -4.102 1.00 3.01 H new ATOM 2561 N ASP B 59 15.161 10.324 -7.511 1.00 0.42 N ATOM 2562 CA ASP B 59 14.562 10.653 -8.800 1.00 0.43 C ATOM 2563 C ASP B 59 13.241 9.914 -8.978 1.00 0.37 C ATOM 2564 O ASP B 59 12.236 10.508 -9.373 1.00 0.39 O ATOM 2565 CB ASP B 59 15.526 10.296 -9.938 1.00 0.49 C ATOM 2566 CG ASP B 59 14.834 10.124 -11.277 1.00 0.58 C ATOM 2567 OD1 ASP B 59 14.299 11.118 -11.813 1.00 0.76 O ATOM 2568 OD2 ASP B 59 14.836 8.996 -11.808 1.00 0.78 O ATOM 0 H ASP B 59 16.076 9.879 -7.578 1.00 0.42 H new ATOM 0 HA ASP B 59 14.366 11.725 -8.828 1.00 0.43 H new ATOM 0 HB2 ASP B 59 16.281 11.078 -10.024 1.00 0.49 H new ATOM 0 HB3 ASP B 59 16.049 9.374 -9.686 1.00 0.49 H new ATOM 2573 N SER B 60 13.250 8.626 -8.661 1.00 0.33 N ATOM 2574 CA SER B 60 12.060 7.795 -8.778 1.00 0.33 C ATOM 2575 C SER B 60 10.934 8.319 -7.884 1.00 0.28 C ATOM 2576 O SER B 60 9.778 8.390 -8.305 1.00 0.29 O ATOM 2577 CB SER B 60 12.399 6.349 -8.419 1.00 0.39 C ATOM 2578 OG SER B 60 13.518 5.893 -9.160 1.00 1.41 O ATOM 0 H SER B 60 14.074 8.132 -8.319 1.00 0.33 H new ATOM 0 HA SER B 60 11.712 7.833 -9.810 1.00 0.33 H new ATOM 0 HB2 SER B 60 12.610 6.275 -7.352 1.00 0.39 H new ATOM 0 HB3 SER B 60 11.540 5.709 -8.620 1.00 0.39 H new ATOM 0 HG SER B 60 14.341 6.105 -8.673 1.00 1.41 H new ATOM 2584 N PHE B 61 11.277 8.701 -6.656 1.00 0.30 N ATOM 2585 CA PHE B 61 10.293 9.230 -5.718 1.00 0.32 C ATOM 2586 C PHE B 61 9.631 10.479 -6.277 1.00 0.33 C ATOM 2587 O PHE B 61 8.408 10.589 -6.294 1.00 0.34 O ATOM 2588 CB PHE B 61 10.939 9.549 -4.370 1.00 0.39 C ATOM 2589 CG PHE B 61 10.927 8.396 -3.411 1.00 0.43 C ATOM 2590 CD1 PHE B 61 9.949 7.420 -3.492 1.00 0.62 C ATOM 2591 CD2 PHE B 61 11.892 8.293 -2.425 1.00 0.59 C ATOM 2592 CE1 PHE B 61 9.935 6.360 -2.609 1.00 0.70 C ATOM 2593 CE2 PHE B 61 11.883 7.236 -1.538 1.00 0.65 C ATOM 2594 CZ PHE B 61 10.903 6.268 -1.629 1.00 0.60 C ATOM 0 H PHE B 61 12.227 8.654 -6.289 1.00 0.30 H new ATOM 0 HA PHE B 61 9.533 8.463 -5.570 1.00 0.32 H new ATOM 0 HB2 PHE B 61 11.970 9.862 -4.536 1.00 0.39 H new ATOM 0 HB3 PHE B 61 10.418 10.393 -3.917 1.00 0.39 H new ATOM 0 HD1 PHE B 61 9.188 7.489 -4.255 1.00 0.62 H new ATOM 0 HD2 PHE B 61 12.661 9.048 -2.349 1.00 0.59 H new ATOM 0 HE1 PHE B 61 9.168 5.603 -2.684 1.00 0.70 H new ATOM 0 HE2 PHE B 61 12.642 7.166 -0.773 1.00 0.65 H new ATOM 0 HZ PHE B 61 10.894 5.441 -0.935 1.00 0.60 H new ATOM 2604 N GLN B 62 10.443 11.409 -6.759 1.00 0.35 N ATOM 2605 CA GLN B 62 9.923 12.647 -7.319 1.00 0.41 C ATOM 2606 C GLN B 62 9.126 12.373 -8.592 1.00 0.37 C ATOM 2607 O GLN B 62 8.203 13.115 -8.924 1.00 0.40 O ATOM 2608 CB GLN B 62 11.061 13.630 -7.598 1.00 0.52 C ATOM 2609 CG GLN B 62 11.703 14.186 -6.335 1.00 0.79 C ATOM 2610 CD GLN B 62 10.711 14.893 -5.424 1.00 1.44 C ATOM 2611 OE1 GLN B 62 10.816 14.817 -4.199 1.00 2.08 O ATOM 2612 NE2 GLN B 62 9.751 15.596 -6.011 1.00 2.12 N ATOM 0 H GLN B 62 11.460 11.330 -6.774 1.00 0.35 H new ATOM 0 HA GLN B 62 9.251 13.096 -6.587 1.00 0.41 H new ATOM 0 HB2 GLN B 62 11.824 13.131 -8.195 1.00 0.52 H new ATOM 0 HB3 GLN B 62 10.678 14.457 -8.196 1.00 0.52 H new ATOM 0 HG2 GLN B 62 12.175 13.372 -5.786 1.00 0.79 H new ATOM 0 HG3 GLN B 62 12.493 14.883 -6.613 1.00 0.79 H new ATOM 0 HE21 GLN B 62 9.697 15.635 -7.029 1.00 2.12 H new ATOM 0 HE22 GLN B 62 9.067 16.098 -5.444 1.00 2.12 H new ATOM 2621 N GLN B 63 9.480 11.298 -9.290 1.00 0.34 N ATOM 2622 CA GLN B 63 8.793 10.917 -10.520 1.00 0.36 C ATOM 2623 C GLN B 63 7.371 10.455 -10.227 1.00 0.29 C ATOM 2624 O GLN B 63 6.420 10.913 -10.862 1.00 0.32 O ATOM 2625 CB GLN B 63 9.557 9.809 -11.246 1.00 0.44 C ATOM 2626 CG GLN B 63 10.583 10.328 -12.235 1.00 0.66 C ATOM 2627 CD GLN B 63 11.014 9.267 -13.224 1.00 0.76 C ATOM 2628 OE1 GLN B 63 10.360 9.056 -14.247 1.00 1.33 O ATOM 2629 NE2 GLN B 63 12.120 8.601 -12.940 1.00 1.23 N ATOM 0 H GLN B 63 10.241 10.673 -9.024 1.00 0.34 H new ATOM 0 HA GLN B 63 8.751 11.796 -11.163 1.00 0.36 H new ATOM 0 HB2 GLN B 63 10.059 9.182 -10.509 1.00 0.44 H new ATOM 0 HB3 GLN B 63 8.845 9.173 -11.773 1.00 0.44 H new ATOM 0 HG2 GLN B 63 10.166 11.178 -12.776 1.00 0.66 H new ATOM 0 HG3 GLN B 63 11.456 10.692 -11.693 1.00 0.66 H new ATOM 0 HE21 GLN B 63 12.633 8.806 -12.082 1.00 1.23 H new ATOM 0 HE22 GLN B 63 12.461 7.882 -13.579 1.00 1.23 H new ATOM 2638 N VAL B 64 7.224 9.563 -9.250 1.00 0.26 N ATOM 2639 CA VAL B 64 5.907 9.048 -8.884 1.00 0.26 C ATOM 2640 C VAL B 64 5.032 10.169 -8.316 1.00 0.26 C ATOM 2641 O VAL B 64 3.801 10.102 -8.369 1.00 0.28 O ATOM 2642 CB VAL B 64 6.007 7.868 -7.881 1.00 0.28 C ATOM 2643 CG1 VAL B 64 6.234 8.353 -6.458 1.00 0.31 C ATOM 2644 CG2 VAL B 64 4.765 6.993 -7.957 1.00 0.30 C ATOM 0 H VAL B 64 7.995 9.184 -8.701 1.00 0.26 H new ATOM 0 HA VAL B 64 5.440 8.664 -9.791 1.00 0.26 H new ATOM 0 HB VAL B 64 6.874 7.271 -8.165 1.00 0.28 H new ATOM 0 HG11 VAL B 64 6.298 7.496 -5.787 1.00 0.31 H new ATOM 0 HG12 VAL B 64 7.163 8.921 -6.411 1.00 0.31 H new ATOM 0 HG13 VAL B 64 5.404 8.990 -6.154 1.00 0.31 H new ATOM 0 HG21 VAL B 64 4.855 6.171 -7.246 1.00 0.30 H new ATOM 0 HG22 VAL B 64 3.885 7.589 -7.714 1.00 0.30 H new ATOM 0 HG23 VAL B 64 4.664 6.591 -8.965 1.00 0.30 H new ATOM 2654 N VAL B 65 5.680 11.206 -7.790 1.00 0.29 N ATOM 2655 CA VAL B 65 4.978 12.357 -7.238 1.00 0.33 C ATOM 2656 C VAL B 65 4.306 13.147 -8.361 1.00 0.37 C ATOM 2657 O VAL B 65 3.227 13.706 -8.185 1.00 0.45 O ATOM 2658 CB VAL B 65 5.945 13.274 -6.448 1.00 0.40 C ATOM 2659 CG1 VAL B 65 5.331 14.641 -6.181 1.00 0.48 C ATOM 2660 CG2 VAL B 65 6.348 12.615 -5.139 1.00 0.39 C ATOM 0 H VAL B 65 6.697 11.270 -7.736 1.00 0.29 H new ATOM 0 HA VAL B 65 4.216 11.993 -6.548 1.00 0.33 H new ATOM 0 HB VAL B 65 6.833 13.422 -7.062 1.00 0.40 H new ATOM 0 HG11 VAL B 65 6.039 15.256 -5.625 1.00 0.48 H new ATOM 0 HG12 VAL B 65 5.096 15.126 -7.129 1.00 0.48 H new ATOM 0 HG13 VAL B 65 4.418 14.522 -5.598 1.00 0.48 H new ATOM 0 HG21 VAL B 65 7.027 13.271 -4.595 1.00 0.39 H new ATOM 0 HG22 VAL B 65 5.459 12.432 -4.535 1.00 0.39 H new ATOM 0 HG23 VAL B 65 6.847 11.668 -5.347 1.00 0.39 H new ATOM 2670 N LYS B 66 4.947 13.164 -9.523 1.00 0.37 N ATOM 2671 CA LYS B 66 4.418 13.875 -10.680 1.00 0.45 C ATOM 2672 C LYS B 66 3.257 13.101 -11.293 1.00 0.41 C ATOM 2673 O LYS B 66 2.351 13.685 -11.886 1.00 0.49 O ATOM 2674 CB LYS B 66 5.515 14.081 -11.726 1.00 0.57 C ATOM 2675 CG LYS B 66 6.753 14.769 -11.178 1.00 0.74 C ATOM 2676 CD LYS B 66 7.979 14.471 -12.027 1.00 0.67 C ATOM 2677 CE LYS B 66 8.088 15.416 -13.212 1.00 1.44 C ATOM 2678 NZ LYS B 66 9.276 15.114 -14.054 1.00 2.19 N ATOM 0 H LYS B 66 5.836 12.692 -9.689 1.00 0.37 H new ATOM 0 HA LYS B 66 4.058 14.849 -10.349 1.00 0.45 H new ATOM 0 HB2 LYS B 66 5.799 13.113 -12.138 1.00 0.57 H new ATOM 0 HB3 LYS B 66 5.115 14.673 -12.549 1.00 0.57 H new ATOM 0 HG2 LYS B 66 6.587 15.846 -11.143 1.00 0.74 H new ATOM 0 HG3 LYS B 66 6.930 14.440 -10.154 1.00 0.74 H new ATOM 0 HD2 LYS B 66 8.875 14.554 -11.413 1.00 0.67 H new ATOM 0 HD3 LYS B 66 7.932 13.443 -12.385 1.00 0.67 H new ATOM 0 HE2 LYS B 66 7.185 15.344 -13.818 1.00 1.44 H new ATOM 0 HE3 LYS B 66 8.149 16.443 -12.853 1.00 1.44 H new ATOM 0 HZ1 LYS B 66 9.315 15.780 -14.852 1.00 2.19 H new ATOM 0 HZ2 LYS B 66 10.140 15.208 -13.482 1.00 2.19 H new ATOM 0 HZ3 LYS B 66 9.206 14.142 -14.418 1.00 2.19 H new ATOM 2692 N LEU B 67 3.294 11.785 -11.140 1.00 0.39 N ATOM 2693 CA LEU B 67 2.251 10.923 -11.678 1.00 0.43 C ATOM 2694 C LEU B 67 0.978 11.033 -10.843 1.00 0.62 C ATOM 2695 O LEU B 67 -0.101 11.264 -11.386 1.00 1.30 O ATOM 2696 CB LEU B 67 2.731 9.471 -11.720 1.00 0.59 C ATOM 2697 CG LEU B 67 4.068 9.248 -12.435 1.00 0.54 C ATOM 2698 CD1 LEU B 67 4.491 7.790 -12.343 1.00 0.74 C ATOM 2699 CD2 LEU B 67 3.983 9.687 -13.890 1.00 0.79 C ATOM 0 H LEU B 67 4.037 11.290 -10.647 1.00 0.39 H new ATOM 0 HA LEU B 67 2.027 11.249 -12.694 1.00 0.43 H new ATOM 0 HB2 LEU B 67 2.818 9.104 -10.697 1.00 0.59 H new ATOM 0 HB3 LEU B 67 1.969 8.867 -12.212 1.00 0.59 H new ATOM 0 HG LEU B 67 4.823 9.857 -11.937 1.00 0.54 H new ATOM 0 HD11 LEU B 67 5.442 7.654 -12.857 1.00 0.74 H new ATOM 0 HD12 LEU B 67 4.601 7.508 -11.296 1.00 0.74 H new ATOM 0 HD13 LEU B 67 3.733 7.161 -12.810 1.00 0.74 H new ATOM 0 HD21 LEU B 67 4.943 9.519 -14.377 1.00 0.79 H new ATOM 0 HD22 LEU B 67 3.212 9.110 -14.400 1.00 0.79 H new ATOM 0 HD23 LEU B 67 3.733 10.747 -13.936 1.00 0.79 H new ATOM 2711 N LYS B 68 1.124 10.871 -9.525 1.00 0.48 N ATOM 2712 CA LYS B 68 0.002 10.952 -8.581 1.00 0.55 C ATOM 2713 C LYS B 68 -1.054 9.879 -8.844 1.00 0.47 C ATOM 2714 O LYS B 68 -1.804 9.946 -9.816 1.00 0.50 O ATOM 2715 CB LYS B 68 -0.649 12.337 -8.621 1.00 0.69 C ATOM 2716 CG LYS B 68 0.102 13.390 -7.827 1.00 0.56 C ATOM 2717 CD LYS B 68 -0.580 14.741 -7.924 1.00 0.67 C ATOM 2718 CE LYS B 68 0.154 15.799 -7.120 1.00 0.69 C ATOM 2719 NZ LYS B 68 -0.456 17.141 -7.291 1.00 1.04 N ATOM 0 H LYS B 68 2.022 10.680 -9.081 1.00 0.48 H new ATOM 0 HA LYS B 68 0.418 10.778 -7.588 1.00 0.55 H new ATOM 0 HB2 LYS B 68 -0.724 12.663 -9.658 1.00 0.69 H new ATOM 0 HB3 LYS B 68 -1.666 12.261 -8.236 1.00 0.69 H new ATOM 0 HG2 LYS B 68 0.164 13.085 -6.782 1.00 0.56 H new ATOM 0 HG3 LYS B 68 1.124 13.468 -8.198 1.00 0.56 H new ATOM 0 HD2 LYS B 68 -0.632 15.048 -8.968 1.00 0.67 H new ATOM 0 HD3 LYS B 68 -1.606 14.658 -7.565 1.00 0.67 H new ATOM 0 HE2 LYS B 68 0.143 15.526 -6.065 1.00 0.69 H new ATOM 0 HE3 LYS B 68 1.198 15.832 -7.430 1.00 0.69 H new ATOM 0 HZ1 LYS B 68 0.136 17.713 -7.926 1.00 1.04 H new ATOM 0 HZ2 LYS B 68 -1.407 17.041 -7.701 1.00 1.04 H new ATOM 0 HZ3 LYS B 68 -0.526 17.611 -6.366 1.00 1.04 H new ATOM 2733 N GLY B 69 -1.116 8.895 -7.962 1.00 0.50 N ATOM 2734 CA GLY B 69 -2.086 7.829 -8.117 1.00 0.59 C ATOM 2735 C GLY B 69 -1.582 6.733 -9.028 1.00 0.54 C ATOM 2736 O GLY B 69 -2.367 6.020 -9.659 1.00 0.57 O ATOM 0 H GLY B 69 -0.514 8.814 -7.143 1.00 0.50 H new ATOM 0 HA2 GLY B 69 -2.322 7.408 -7.139 1.00 0.59 H new ATOM 0 HA3 GLY B 69 -3.013 8.238 -8.520 1.00 0.59 H new ATOM 2740 N GLN B 70 -0.269 6.601 -9.099 1.00 0.50 N ATOM 2741 CA GLN B 70 0.355 5.590 -9.931 1.00 0.46 C ATOM 2742 C GLN B 70 1.414 4.851 -9.127 1.00 0.38 C ATOM 2743 O GLN B 70 1.944 5.384 -8.151 1.00 0.37 O ATOM 2744 CB GLN B 70 0.975 6.230 -11.178 1.00 0.50 C ATOM 2745 CG GLN B 70 1.246 5.246 -12.306 1.00 1.31 C ATOM 2746 CD GLN B 70 0.048 4.368 -12.614 1.00 1.89 C ATOM 2747 OE1 GLN B 70 -0.105 3.284 -12.043 1.00 2.68 O ATOM 2748 NE2 GLN B 70 -0.815 4.825 -13.509 1.00 2.32 N ATOM 0 H GLN B 70 0.389 7.187 -8.586 1.00 0.50 H new ATOM 0 HA GLN B 70 -0.404 4.879 -10.257 1.00 0.46 H new ATOM 0 HB2 GLN B 70 0.308 7.011 -11.543 1.00 0.50 H new ATOM 0 HB3 GLN B 70 1.911 6.714 -10.899 1.00 0.50 H new ATOM 0 HG2 GLN B 70 1.529 5.796 -13.203 1.00 1.31 H new ATOM 0 HG3 GLN B 70 2.094 4.616 -12.038 1.00 1.31 H new ATOM 0 HE21 GLN B 70 -0.654 5.726 -13.959 1.00 2.32 H new ATOM 0 HE22 GLN B 70 -1.641 4.276 -13.748 1.00 2.32 H new ATOM 2757 N VAL B 71 1.704 3.626 -9.529 1.00 0.36 N ATOM 2758 CA VAL B 71 2.692 2.815 -8.842 1.00 0.32 C ATOM 2759 C VAL B 71 4.002 2.781 -9.627 1.00 0.31 C ATOM 2760 O VAL B 71 4.005 2.622 -10.849 1.00 0.39 O ATOM 2761 CB VAL B 71 2.170 1.375 -8.614 1.00 0.38 C ATOM 2762 CG1 VAL B 71 1.752 0.731 -9.929 1.00 1.28 C ATOM 2763 CG2 VAL B 71 3.213 0.523 -7.904 1.00 1.35 C ATOM 0 H VAL B 71 1.267 3.171 -10.330 1.00 0.36 H new ATOM 0 HA VAL B 71 2.878 3.270 -7.869 1.00 0.32 H new ATOM 0 HB VAL B 71 1.290 1.437 -7.973 1.00 0.38 H new ATOM 0 HG11 VAL B 71 1.389 -0.279 -9.740 1.00 1.28 H new ATOM 0 HG12 VAL B 71 0.959 1.321 -10.387 1.00 1.28 H new ATOM 0 HG13 VAL B 71 2.608 0.689 -10.602 1.00 1.28 H new ATOM 0 HG21 VAL B 71 2.821 -0.483 -7.756 1.00 1.35 H new ATOM 0 HG22 VAL B 71 4.118 0.475 -8.510 1.00 1.35 H new ATOM 0 HG23 VAL B 71 3.448 0.967 -6.937 1.00 1.35 H new ATOM 2773 N LEU B 72 5.106 2.970 -8.924 1.00 0.27 N ATOM 2774 CA LEU B 72 6.421 2.944 -9.538 1.00 0.29 C ATOM 2775 C LEU B 72 7.355 2.042 -8.739 1.00 0.31 C ATOM 2776 O LEU B 72 7.755 2.378 -7.622 1.00 0.44 O ATOM 2777 CB LEU B 72 7.006 4.355 -9.630 1.00 0.35 C ATOM 2778 CG LEU B 72 8.383 4.437 -10.288 1.00 0.44 C ATOM 2779 CD1 LEU B 72 8.277 4.219 -11.789 1.00 1.37 C ATOM 2780 CD2 LEU B 72 9.036 5.774 -9.984 1.00 1.05 C ATOM 0 H LEU B 72 5.116 3.144 -7.919 1.00 0.27 H new ATOM 0 HA LEU B 72 6.320 2.547 -10.548 1.00 0.29 H new ATOM 0 HB2 LEU B 72 6.314 4.984 -10.189 1.00 0.35 H new ATOM 0 HB3 LEU B 72 7.074 4.771 -8.625 1.00 0.35 H new ATOM 0 HG LEU B 72 9.009 3.646 -9.875 1.00 0.44 H new ATOM 0 HD11 LEU B 72 9.269 4.282 -12.237 1.00 1.37 H new ATOM 0 HD12 LEU B 72 7.852 3.234 -11.985 1.00 1.37 H new ATOM 0 HD13 LEU B 72 7.634 4.984 -12.223 1.00 1.37 H new ATOM 0 HD21 LEU B 72 10.016 5.817 -10.460 1.00 1.05 H new ATOM 0 HD22 LEU B 72 8.411 6.580 -10.368 1.00 1.05 H new ATOM 0 HD23 LEU B 72 9.151 5.886 -8.906 1.00 1.05 H new ATOM 2792 N SER B 73 7.680 0.894 -9.304 1.00 0.27 N ATOM 2793 CA SER B 73 8.561 -0.056 -8.650 1.00 0.33 C ATOM 2794 C SER B 73 10.016 0.294 -8.928 1.00 0.28 C ATOM 2795 O SER B 73 10.551 -0.034 -9.988 1.00 0.31 O ATOM 2796 CB SER B 73 8.259 -1.472 -9.135 1.00 0.48 C ATOM 2797 OG SER B 73 6.915 -1.832 -8.853 1.00 1.38 O ATOM 0 H SER B 73 7.345 0.596 -10.220 1.00 0.27 H new ATOM 0 HA SER B 73 8.390 -0.008 -7.575 1.00 0.33 H new ATOM 0 HB2 SER B 73 8.439 -1.539 -10.208 1.00 0.48 H new ATOM 0 HB3 SER B 73 8.937 -2.177 -8.653 1.00 0.48 H new ATOM 0 HG SER B 73 6.746 -2.742 -9.174 1.00 1.38 H new ATOM 2803 N VAL B 74 10.646 0.972 -7.982 1.00 0.29 N ATOM 2804 CA VAL B 74 12.036 1.365 -8.132 1.00 0.28 C ATOM 2805 C VAL B 74 12.955 0.213 -7.737 1.00 0.23 C ATOM 2806 O VAL B 74 12.806 -0.382 -6.668 1.00 0.24 O ATOM 2807 CB VAL B 74 12.367 2.633 -7.303 1.00 0.34 C ATOM 2808 CG1 VAL B 74 11.978 2.457 -5.841 1.00 0.35 C ATOM 2809 CG2 VAL B 74 13.843 2.994 -7.426 1.00 0.41 C ATOM 0 H VAL B 74 10.216 1.261 -7.103 1.00 0.29 H new ATOM 0 HA VAL B 74 12.201 1.608 -9.182 1.00 0.28 H new ATOM 0 HB VAL B 74 11.778 3.455 -7.710 1.00 0.34 H new ATOM 0 HG11 VAL B 74 12.223 3.363 -5.288 1.00 0.35 H new ATOM 0 HG12 VAL B 74 10.907 2.267 -5.770 1.00 0.35 H new ATOM 0 HG13 VAL B 74 12.525 1.614 -5.418 1.00 0.35 H new ATOM 0 HG21 VAL B 74 14.050 3.887 -6.836 1.00 0.41 H new ATOM 0 HG22 VAL B 74 14.452 2.167 -7.059 1.00 0.41 H new ATOM 0 HG23 VAL B 74 14.085 3.186 -8.471 1.00 0.41 H new ATOM 2819 N MET B 75 13.877 -0.117 -8.622 1.00 0.21 N ATOM 2820 CA MET B 75 14.818 -1.196 -8.380 1.00 0.20 C ATOM 2821 C MET B 75 16.156 -0.639 -7.908 1.00 0.20 C ATOM 2822 O MET B 75 16.835 0.076 -8.645 1.00 0.24 O ATOM 2823 CB MET B 75 15.013 -2.015 -9.657 1.00 0.26 C ATOM 2824 CG MET B 75 15.792 -3.301 -9.450 1.00 0.29 C ATOM 2825 SD MET B 75 14.836 -4.549 -8.570 1.00 0.41 S ATOM 2826 CE MET B 75 16.003 -5.905 -8.548 1.00 0.41 C ATOM 0 H MET B 75 13.995 0.350 -9.521 1.00 0.21 H new ATOM 0 HA MET B 75 14.415 -1.842 -7.600 1.00 0.20 H new ATOM 0 HB2 MET B 75 14.036 -2.257 -10.074 1.00 0.26 H new ATOM 0 HB3 MET B 75 15.532 -1.402 -10.394 1.00 0.26 H new ATOM 0 HG2 MET B 75 16.098 -3.697 -10.418 1.00 0.29 H new ATOM 0 HG3 MET B 75 16.703 -3.085 -8.892 1.00 0.29 H new ATOM 0 HE1 MET B 75 15.626 -6.719 -9.167 1.00 0.41 H new ATOM 0 HE2 MET B 75 16.962 -5.566 -8.939 1.00 0.41 H new ATOM 0 HE3 MET B 75 16.132 -6.257 -7.525 1.00 0.41 H new ATOM 2836 N PHE B 76 16.528 -0.959 -6.679 1.00 0.21 N ATOM 2837 CA PHE B 76 17.786 -0.489 -6.114 1.00 0.23 C ATOM 2838 C PHE B 76 18.309 -1.485 -5.086 1.00 0.22 C ATOM 2839 O PHE B 76 17.714 -2.542 -4.878 1.00 0.21 O ATOM 2840 CB PHE B 76 17.599 0.893 -5.469 1.00 0.26 C ATOM 2841 CG PHE B 76 16.638 0.903 -4.310 1.00 0.27 C ATOM 2842 CD1 PHE B 76 15.278 1.059 -4.521 1.00 0.31 C ATOM 2843 CD2 PHE B 76 17.096 0.761 -3.011 1.00 0.31 C ATOM 2844 CE1 PHE B 76 14.395 1.069 -3.459 1.00 0.37 C ATOM 2845 CE2 PHE B 76 16.219 0.770 -1.946 1.00 0.36 C ATOM 2846 CZ PHE B 76 14.867 0.925 -2.169 1.00 0.38 C ATOM 0 H PHE B 76 15.976 -1.544 -6.051 1.00 0.21 H new ATOM 0 HA PHE B 76 18.517 -0.402 -6.918 1.00 0.23 H new ATOM 0 HB2 PHE B 76 18.568 1.257 -5.127 1.00 0.26 H new ATOM 0 HB3 PHE B 76 17.245 1.592 -6.227 1.00 0.26 H new ATOM 0 HD1 PHE B 76 14.904 1.174 -5.528 1.00 0.31 H new ATOM 0 HD2 PHE B 76 18.154 0.642 -2.829 1.00 0.31 H new ATOM 0 HE1 PHE B 76 13.337 1.189 -3.637 1.00 0.37 H new ATOM 0 HE2 PHE B 76 16.591 0.656 -0.939 1.00 0.36 H new ATOM 0 HZ PHE B 76 14.179 0.934 -1.337 1.00 0.38 H new ATOM 2856 N ARG B 77 19.424 -1.151 -4.451 1.00 0.25 N ATOM 2857 CA ARG B 77 20.007 -2.018 -3.438 1.00 0.25 C ATOM 2858 C ARG B 77 19.721 -1.456 -2.051 1.00 0.23 C ATOM 2859 O ARG B 77 20.159 -0.355 -1.714 1.00 0.26 O ATOM 2860 CB ARG B 77 21.516 -2.165 -3.652 1.00 0.30 C ATOM 2861 CG ARG B 77 21.887 -2.709 -5.023 1.00 0.48 C ATOM 2862 CD ARG B 77 23.375 -3.003 -5.129 1.00 0.63 C ATOM 2863 NE ARG B 77 23.812 -3.098 -6.521 1.00 1.50 N ATOM 2864 CZ ARG B 77 24.608 -4.059 -6.995 1.00 1.87 C ATOM 2865 NH1 ARG B 77 25.068 -5.011 -6.193 1.00 1.59 N ATOM 2866 NH2 ARG B 77 24.949 -4.061 -8.276 1.00 2.97 N ATOM 0 H ARG B 77 19.941 -0.288 -4.619 1.00 0.25 H new ATOM 0 HA ARG B 77 19.555 -3.006 -3.523 1.00 0.25 H new ATOM 0 HB2 ARG B 77 21.990 -1.193 -3.516 1.00 0.30 H new ATOM 0 HB3 ARG B 77 21.920 -2.827 -2.886 1.00 0.30 H new ATOM 0 HG2 ARG B 77 21.321 -3.620 -5.218 1.00 0.48 H new ATOM 0 HG3 ARG B 77 21.603 -1.988 -5.789 1.00 0.48 H new ATOM 0 HD2 ARG B 77 23.938 -2.218 -4.624 1.00 0.63 H new ATOM 0 HD3 ARG B 77 23.599 -3.937 -4.613 1.00 0.63 H new ATOM 0 HE ARG B 77 23.487 -2.383 -7.172 1.00 1.50 H new ATOM 0 HH11 ARG B 77 24.814 -5.013 -5.205 1.00 1.59 H new ATOM 0 HH12 ARG B 77 25.676 -5.741 -6.564 1.00 1.59 H new ATOM 0 HH21 ARG B 77 24.603 -3.329 -8.897 1.00 2.97 H new ATOM 0 HH22 ARG B 77 25.557 -4.794 -8.641 1.00 2.97 H new ATOM 2880 N PHE B 78 18.972 -2.210 -1.263 1.00 0.24 N ATOM 2881 CA PHE B 78 18.613 -1.795 0.086 1.00 0.23 C ATOM 2882 C PHE B 78 19.523 -2.477 1.101 1.00 0.21 C ATOM 2883 O PHE B 78 19.935 -3.621 0.903 1.00 0.22 O ATOM 2884 CB PHE B 78 17.145 -2.137 0.365 1.00 0.27 C ATOM 2885 CG PHE B 78 16.561 -1.414 1.549 1.00 0.27 C ATOM 2886 CD1 PHE B 78 16.279 -0.058 1.481 1.00 0.34 C ATOM 2887 CD2 PHE B 78 16.287 -2.091 2.727 1.00 0.33 C ATOM 2888 CE1 PHE B 78 15.737 0.606 2.566 1.00 0.37 C ATOM 2889 CE2 PHE B 78 15.744 -1.432 3.813 1.00 0.37 C ATOM 2890 CZ PHE B 78 15.469 -0.083 3.733 1.00 0.33 C ATOM 0 H PHE B 78 18.598 -3.119 -1.536 1.00 0.24 H new ATOM 0 HA PHE B 78 18.742 -0.716 0.175 1.00 0.23 H new ATOM 0 HB2 PHE B 78 16.553 -1.901 -0.520 1.00 0.27 H new ATOM 0 HB3 PHE B 78 17.058 -3.211 0.529 1.00 0.27 H new ATOM 0 HD1 PHE B 78 16.485 0.485 0.571 1.00 0.34 H new ATOM 0 HD2 PHE B 78 16.501 -3.147 2.797 1.00 0.33 H new ATOM 0 HE1 PHE B 78 15.523 1.663 2.501 1.00 0.37 H new ATOM 0 HE2 PHE B 78 15.535 -1.973 4.724 1.00 0.37 H new ATOM 0 HZ PHE B 78 15.045 0.434 4.581 1.00 0.33 H new ATOM 2900 N ARG B 79 19.848 -1.770 2.172 1.00 0.25 N ATOM 2901 CA ARG B 79 20.712 -2.312 3.211 1.00 0.26 C ATOM 2902 C ARG B 79 19.901 -3.077 4.248 1.00 0.26 C ATOM 2903 O ARG B 79 18.874 -2.595 4.723 1.00 0.36 O ATOM 2904 CB ARG B 79 21.491 -1.192 3.903 1.00 0.36 C ATOM 2905 CG ARG B 79 22.779 -1.662 4.561 1.00 0.33 C ATOM 2906 CD ARG B 79 23.363 -0.595 5.475 1.00 0.56 C ATOM 2907 NE ARG B 79 22.614 -0.478 6.727 1.00 1.04 N ATOM 2908 CZ ARG B 79 22.849 0.447 7.660 1.00 1.28 C ATOM 2909 NH1 ARG B 79 23.789 1.367 7.476 1.00 1.06 N ATOM 2910 NH2 ARG B 79 22.124 0.457 8.772 1.00 2.22 N ATOM 0 H ARG B 79 19.526 -0.818 2.345 1.00 0.25 H new ATOM 0 HA ARG B 79 21.413 -2.996 2.734 1.00 0.26 H new ATOM 0 HB2 ARG B 79 21.728 -0.420 3.171 1.00 0.36 H new ATOM 0 HB3 ARG B 79 20.854 -0.731 4.658 1.00 0.36 H new ATOM 0 HG2 ARG B 79 22.585 -2.568 5.136 1.00 0.33 H new ATOM 0 HG3 ARG B 79 23.507 -1.922 3.793 1.00 0.33 H new ATOM 0 HD2 ARG B 79 24.403 -0.836 5.695 1.00 0.56 H new ATOM 0 HD3 ARG B 79 23.360 0.365 4.960 1.00 0.56 H new ATOM 0 HE ARG B 79 21.863 -1.147 6.898 1.00 1.04 H new ATOM 0 HH11 ARG B 79 24.338 1.370 6.616 1.00 1.06 H new ATOM 0 HH12 ARG B 79 23.962 2.070 8.194 1.00 1.06 H new ATOM 0 HH21 ARG B 79 21.392 -0.240 8.910 1.00 2.22 H new ATOM 0 HH22 ARG B 79 22.299 1.161 9.489 1.00 2.22 H new ATOM 2924 N SER B 80 20.364 -4.267 4.588 1.00 0.25 N ATOM 2925 CA SER B 80 19.696 -5.089 5.579 1.00 0.33 C ATOM 2926 C SER B 80 20.302 -4.840 6.957 1.00 0.32 C ATOM 2927 O SER B 80 21.180 -3.987 7.110 1.00 0.32 O ATOM 2928 CB SER B 80 19.846 -6.563 5.210 1.00 0.46 C ATOM 2929 OG SER B 80 21.207 -6.961 5.271 1.00 1.06 O ATOM 0 H SER B 80 21.204 -4.686 4.190 1.00 0.25 H new ATOM 0 HA SER B 80 18.638 -4.828 5.603 1.00 0.33 H new ATOM 0 HB2 SER B 80 19.253 -7.175 5.889 1.00 0.46 H new ATOM 0 HB3 SER B 80 19.457 -6.733 4.206 1.00 0.46 H new ATOM 0 HG SER B 80 21.282 -7.908 5.029 1.00 1.06 H new ATOM 2935 N LYS B 81 19.848 -5.595 7.952 1.00 0.35 N ATOM 2936 CA LYS B 81 20.375 -5.477 9.305 1.00 0.37 C ATOM 2937 C LYS B 81 21.789 -6.049 9.339 1.00 0.40 C ATOM 2938 O LYS B 81 22.554 -5.823 10.277 1.00 0.48 O ATOM 2939 CB LYS B 81 19.472 -6.217 10.298 1.00 0.41 C ATOM 2940 CG LYS B 81 19.709 -5.835 11.750 1.00 0.45 C ATOM 2941 CD LYS B 81 19.514 -4.346 11.974 1.00 0.47 C ATOM 2942 CE LYS B 81 20.013 -3.916 13.342 1.00 0.67 C ATOM 2943 NZ LYS B 81 20.093 -2.436 13.453 1.00 1.69 N ATOM 0 H LYS B 81 19.115 -6.296 7.845 1.00 0.35 H new ATOM 0 HA LYS B 81 20.402 -4.426 9.594 1.00 0.37 H new ATOM 0 HB2 LYS B 81 18.431 -6.017 10.045 1.00 0.41 H new ATOM 0 HB3 LYS B 81 19.627 -7.290 10.185 1.00 0.41 H new ATOM 0 HG2 LYS B 81 19.025 -6.393 12.390 1.00 0.45 H new ATOM 0 HG3 LYS B 81 20.721 -6.118 12.041 1.00 0.45 H new ATOM 0 HD2 LYS B 81 20.044 -3.789 11.201 1.00 0.47 H new ATOM 0 HD3 LYS B 81 18.457 -4.098 11.877 1.00 0.47 H new ATOM 0 HE2 LYS B 81 19.346 -4.304 14.112 1.00 0.67 H new ATOM 0 HE3 LYS B 81 20.997 -4.349 13.524 1.00 0.67 H new ATOM 0 HZ1 LYS B 81 20.051 -2.160 14.455 1.00 1.69 H new ATOM 0 HZ2 LYS B 81 20.988 -2.105 13.040 1.00 1.69 H new ATOM 0 HZ3 LYS B 81 19.296 -2.006 12.942 1.00 1.69 H new ATOM 2957 N ASN B 82 22.123 -6.786 8.285 1.00 0.39 N ATOM 2958 CA ASN B 82 23.438 -7.395 8.146 1.00 0.45 C ATOM 2959 C ASN B 82 24.375 -6.425 7.444 1.00 0.43 C ATOM 2960 O ASN B 82 25.543 -6.736 7.205 1.00 0.50 O ATOM 2961 CB ASN B 82 23.346 -8.694 7.333 1.00 0.53 C ATOM 2962 CG ASN B 82 22.335 -9.673 7.895 1.00 0.95 C ATOM 2963 OD1 ASN B 82 22.208 -9.828 9.111 1.00 1.75 O ATOM 2964 ND2 ASN B 82 21.597 -10.331 7.014 1.00 0.81 N ATOM 0 H ASN B 82 21.492 -6.977 7.507 1.00 0.39 H new ATOM 0 HA ASN B 82 23.823 -7.628 9.139 1.00 0.45 H new ATOM 0 HB2 ASN B 82 23.078 -8.454 6.304 1.00 0.53 H new ATOM 0 HB3 ASN B 82 24.327 -9.169 7.305 1.00 0.53 H new ATOM 0 HD21 ASN B 82 20.892 -10.995 7.334 1.00 0.81 H new ATOM 0 HD22 ASN B 82 21.734 -10.174 6.015 1.00 0.81 H new ATOM 2971 N GLN B 83 23.835 -5.250 7.112 1.00 0.37 N ATOM 2972 CA GLN B 83 24.571 -4.193 6.422 1.00 0.40 C ATOM 2973 C GLN B 83 24.897 -4.594 4.984 1.00 0.37 C ATOM 2974 O GLN B 83 25.763 -4.000 4.343 1.00 0.46 O ATOM 2975 CB GLN B 83 25.850 -3.815 7.177 1.00 0.53 C ATOM 2976 CG GLN B 83 25.698 -2.590 8.066 1.00 0.63 C ATOM 2977 CD GLN B 83 24.981 -2.889 9.369 1.00 0.90 C ATOM 2978 OE1 GLN B 83 23.756 -2.787 9.460 1.00 1.62 O ATOM 2979 NE2 GLN B 83 25.742 -3.254 10.388 1.00 0.87 N ATOM 0 H GLN B 83 22.866 -5.005 7.317 1.00 0.37 H new ATOM 0 HA GLN B 83 23.925 -3.316 6.394 1.00 0.40 H new ATOM 0 HB2 GLN B 83 26.163 -4.661 7.790 1.00 0.53 H new ATOM 0 HB3 GLN B 83 26.646 -3.632 6.455 1.00 0.53 H new ATOM 0 HG2 GLN B 83 26.685 -2.183 8.286 1.00 0.63 H new ATOM 0 HG3 GLN B 83 25.149 -1.820 7.524 1.00 0.63 H new ATOM 0 HE21 GLN B 83 26.753 -3.326 10.270 1.00 0.87 H new ATOM 0 HE22 GLN B 83 25.318 -3.463 11.292 1.00 0.87 H new ATOM 2988 N GLU B 84 24.184 -5.595 4.478 1.00 0.37 N ATOM 2989 CA GLU B 84 24.391 -6.065 3.117 1.00 0.38 C ATOM 2990 C GLU B 84 23.451 -5.322 2.174 1.00 0.31 C ATOM 2991 O GLU B 84 22.402 -4.834 2.598 1.00 0.42 O ATOM 2992 CB GLU B 84 24.165 -7.581 3.031 1.00 0.53 C ATOM 2993 CG GLU B 84 22.722 -7.985 2.760 1.00 1.22 C ATOM 2994 CD GLU B 84 22.390 -9.366 3.288 1.00 2.08 C ATOM 2995 OE1 GLU B 84 22.744 -10.365 2.625 1.00 2.45 O ATOM 2996 OE2 GLU B 84 21.761 -9.457 4.363 1.00 2.78 O ATOM 0 H GLU B 84 23.458 -6.095 4.992 1.00 0.37 H new ATOM 0 HA GLU B 84 25.420 -5.864 2.820 1.00 0.38 H new ATOM 0 HB2 GLU B 84 24.798 -7.987 2.242 1.00 0.53 H new ATOM 0 HB3 GLU B 84 24.489 -8.038 3.966 1.00 0.53 H new ATOM 0 HG2 GLU B 84 22.053 -7.256 3.217 1.00 1.22 H new ATOM 0 HG3 GLU B 84 22.537 -7.957 1.686 1.00 1.22 H new ATOM 3003 N TRP B 85 23.832 -5.229 0.910 1.00 0.32 N ATOM 3004 CA TRP B 85 23.020 -4.539 -0.077 1.00 0.33 C ATOM 3005 C TRP B 85 22.291 -5.543 -0.956 1.00 0.33 C ATOM 3006 O TRP B 85 22.881 -6.140 -1.861 1.00 0.45 O ATOM 3007 CB TRP B 85 23.888 -3.618 -0.937 1.00 0.41 C ATOM 3008 CG TRP B 85 24.740 -2.683 -0.135 1.00 0.42 C ATOM 3009 CD1 TRP B 85 26.070 -2.815 0.133 1.00 0.66 C ATOM 3010 CD2 TRP B 85 24.319 -1.475 0.507 1.00 0.50 C ATOM 3011 NE1 TRP B 85 26.501 -1.766 0.904 1.00 0.63 N ATOM 3012 CE2 TRP B 85 25.446 -0.928 1.147 1.00 0.50 C ATOM 3013 CE3 TRP B 85 23.099 -0.801 0.602 1.00 0.84 C ATOM 3014 CZ2 TRP B 85 25.390 0.261 1.869 1.00 0.67 C ATOM 3015 CZ3 TRP B 85 23.045 0.377 1.323 1.00 1.10 C ATOM 3016 CH2 TRP B 85 24.184 0.897 1.947 1.00 0.97 C ATOM 0 H TRP B 85 24.699 -5.623 0.544 1.00 0.32 H new ATOM 0 HA TRP B 85 22.283 -3.931 0.448 1.00 0.33 H new ATOM 0 HB2 TRP B 85 24.530 -4.227 -1.574 1.00 0.41 H new ATOM 0 HB3 TRP B 85 23.244 -3.036 -1.596 1.00 0.41 H new ATOM 0 HD1 TRP B 85 26.693 -3.627 -0.211 1.00 0.66 H new ATOM 0 HE1 TRP B 85 27.454 -1.632 1.242 1.00 0.63 H new ATOM 0 HE3 TRP B 85 22.215 -1.193 0.121 1.00 0.84 H new ATOM 0 HZ2 TRP B 85 26.268 0.666 2.350 1.00 0.67 H new ATOM 0 HZ3 TRP B 85 22.107 0.905 1.406 1.00 1.10 H new ATOM 0 HH2 TRP B 85 24.108 1.820 2.502 1.00 0.97 H new ATOM 3027 N LEU B 86 21.015 -5.732 -0.681 1.00 0.28 N ATOM 3028 CA LEU B 86 20.203 -6.668 -1.440 1.00 0.29 C ATOM 3029 C LEU B 86 19.346 -5.928 -2.459 1.00 0.26 C ATOM 3030 O LEU B 86 19.020 -4.755 -2.274 1.00 0.28 O ATOM 3031 CB LEU B 86 19.322 -7.502 -0.500 1.00 0.34 C ATOM 3032 CG LEU B 86 18.764 -6.760 0.721 1.00 0.42 C ATOM 3033 CD1 LEU B 86 17.463 -6.050 0.379 1.00 0.96 C ATOM 3034 CD2 LEU B 86 18.553 -7.728 1.873 1.00 1.03 C ATOM 0 H LEU B 86 20.515 -5.248 0.065 1.00 0.28 H new ATOM 0 HA LEU B 86 20.869 -7.344 -1.977 1.00 0.29 H new ATOM 0 HB2 LEU B 86 18.485 -7.900 -1.074 1.00 0.34 H new ATOM 0 HB3 LEU B 86 19.903 -8.355 -0.150 1.00 0.34 H new ATOM 0 HG LEU B 86 19.491 -6.006 1.024 1.00 0.42 H new ATOM 0 HD11 LEU B 86 17.088 -5.532 1.262 1.00 0.96 H new ATOM 0 HD12 LEU B 86 17.641 -5.328 -0.418 1.00 0.96 H new ATOM 0 HD13 LEU B 86 16.726 -6.781 0.047 1.00 0.96 H new ATOM 0 HD21 LEU B 86 18.157 -7.189 2.733 1.00 1.03 H new ATOM 0 HD22 LEU B 86 17.847 -8.502 1.573 1.00 1.03 H new ATOM 0 HD23 LEU B 86 19.504 -8.189 2.140 1.00 1.03 H new ATOM 3046 N TRP B 87 18.988 -6.614 -3.530 1.00 0.28 N ATOM 3047 CA TRP B 87 18.169 -6.019 -4.575 1.00 0.29 C ATOM 3048 C TRP B 87 16.722 -5.914 -4.116 1.00 0.29 C ATOM 3049 O TRP B 87 16.089 -6.918 -3.778 1.00 0.39 O ATOM 3050 CB TRP B 87 18.259 -6.835 -5.863 1.00 0.33 C ATOM 3051 CG TRP B 87 19.522 -6.595 -6.629 1.00 0.38 C ATOM 3052 CD1 TRP B 87 20.626 -7.391 -6.660 1.00 0.47 C ATOM 3053 CD2 TRP B 87 19.808 -5.480 -7.481 1.00 0.40 C ATOM 3054 NE1 TRP B 87 21.580 -6.843 -7.481 1.00 0.53 N ATOM 3055 CE2 TRP B 87 21.102 -5.669 -7.995 1.00 0.48 C ATOM 3056 CE3 TRP B 87 19.092 -4.340 -7.859 1.00 0.43 C ATOM 3057 CZ2 TRP B 87 21.697 -4.763 -8.870 1.00 0.53 C ATOM 3058 CZ3 TRP B 87 19.683 -3.441 -8.725 1.00 0.50 C ATOM 3059 CH2 TRP B 87 20.974 -3.657 -9.222 1.00 0.53 C ATOM 0 H TRP B 87 19.251 -7.585 -3.700 1.00 0.28 H new ATOM 0 HA TRP B 87 18.546 -5.017 -4.778 1.00 0.29 H new ATOM 0 HB2 TRP B 87 18.186 -7.895 -5.619 1.00 0.33 H new ATOM 0 HB3 TRP B 87 17.406 -6.594 -6.498 1.00 0.33 H new ATOM 0 HD1 TRP B 87 20.735 -8.319 -6.118 1.00 0.47 H new ATOM 0 HE1 TRP B 87 22.497 -7.246 -7.676 1.00 0.53 H new ATOM 0 HE3 TRP B 87 18.095 -4.166 -7.481 1.00 0.43 H new ATOM 0 HZ2 TRP B 87 22.692 -4.928 -9.256 1.00 0.53 H new ATOM 0 HZ3 TRP B 87 19.140 -2.556 -9.024 1.00 0.50 H new ATOM 0 HH2 TRP B 87 21.408 -2.935 -9.898 1.00 0.53 H new ATOM 3070 N MET B 88 16.206 -4.700 -4.105 1.00 0.31 N ATOM 3071 CA MET B 88 14.843 -4.459 -3.673 1.00 0.39 C ATOM 3072 C MET B 88 14.063 -3.694 -4.732 1.00 0.37 C ATOM 3073 O MET B 88 14.559 -2.724 -5.308 1.00 0.40 O ATOM 3074 CB MET B 88 14.841 -3.673 -2.360 1.00 0.52 C ATOM 3075 CG MET B 88 13.469 -3.564 -1.719 1.00 0.73 C ATOM 3076 SD MET B 88 13.139 -4.888 -0.539 1.00 1.53 S ATOM 3077 CE MET B 88 14.082 -4.324 0.873 1.00 0.91 C ATOM 0 H MET B 88 16.713 -3.862 -4.392 1.00 0.31 H new ATOM 0 HA MET B 88 14.360 -5.424 -3.519 1.00 0.39 H new ATOM 0 HB2 MET B 88 15.524 -4.152 -1.658 1.00 0.52 H new ATOM 0 HB3 MET B 88 15.227 -2.671 -2.546 1.00 0.52 H new ATOM 0 HG2 MET B 88 13.386 -2.603 -1.212 1.00 0.73 H new ATOM 0 HG3 MET B 88 12.707 -3.580 -2.498 1.00 0.73 H new ATOM 0 HE1 MET B 88 14.802 -5.091 1.159 1.00 0.91 H new ATOM 0 HE2 MET B 88 14.612 -3.407 0.614 1.00 0.91 H new ATOM 0 HE3 MET B 88 13.408 -4.130 1.707 1.00 0.91 H new ATOM 3087 N ARG B 89 12.851 -4.149 -4.989 1.00 0.36 N ATOM 3088 CA ARG B 89 11.975 -3.508 -5.951 1.00 0.37 C ATOM 3089 C ARG B 89 10.815 -2.878 -5.196 1.00 0.36 C ATOM 3090 O ARG B 89 9.729 -3.458 -5.085 1.00 0.42 O ATOM 3091 CB ARG B 89 11.468 -4.523 -6.974 1.00 0.44 C ATOM 3092 CG ARG B 89 10.624 -3.914 -8.077 1.00 0.58 C ATOM 3093 CD ARG B 89 9.439 -4.802 -8.411 1.00 0.97 C ATOM 3094 NE ARG B 89 8.617 -5.086 -7.232 1.00 2.01 N ATOM 3095 CZ ARG B 89 7.650 -6.003 -7.204 1.00 2.63 C ATOM 3096 NH1 ARG B 89 7.358 -6.702 -8.293 1.00 2.41 N ATOM 3097 NH2 ARG B 89 6.969 -6.221 -6.086 1.00 3.80 N ATOM 0 H ARG B 89 12.447 -4.970 -4.539 1.00 0.36 H new ATOM 0 HA ARG B 89 12.521 -2.738 -6.496 1.00 0.37 H new ATOM 0 HB2 ARG B 89 12.322 -5.031 -7.422 1.00 0.44 H new ATOM 0 HB3 ARG B 89 10.881 -5.282 -6.458 1.00 0.44 H new ATOM 0 HG2 ARG B 89 10.270 -2.931 -7.767 1.00 0.58 H new ATOM 0 HG3 ARG B 89 11.235 -3.767 -8.968 1.00 0.58 H new ATOM 0 HD2 ARG B 89 8.827 -4.318 -9.172 1.00 0.97 H new ATOM 0 HD3 ARG B 89 9.797 -5.739 -8.838 1.00 0.97 H new ATOM 0 HE ARG B 89 8.795 -4.550 -6.382 1.00 2.01 H new ATOM 0 HH11 ARG B 89 7.874 -6.539 -9.157 1.00 2.41 H new ATOM 0 HH12 ARG B 89 6.617 -7.402 -8.266 1.00 2.41 H new ATOM 0 HH21 ARG B 89 7.185 -5.686 -5.245 1.00 3.80 H new ATOM 0 HH22 ARG B 89 6.230 -6.923 -6.068 1.00 3.80 H new ATOM 3111 N THR B 90 11.064 -1.704 -4.654 1.00 0.33 N ATOM 3112 CA THR B 90 10.075 -0.995 -3.869 1.00 0.34 C ATOM 3113 C THR B 90 9.049 -0.278 -4.743 1.00 0.31 C ATOM 3114 O THR B 90 9.350 0.729 -5.386 1.00 0.34 O ATOM 3115 CB THR B 90 10.765 0.017 -2.945 1.00 0.38 C ATOM 3116 OG1 THR B 90 12.006 -0.527 -2.484 1.00 0.43 O ATOM 3117 CG2 THR B 90 9.889 0.355 -1.755 1.00 0.43 C ATOM 0 H THR B 90 11.955 -1.216 -4.745 1.00 0.33 H new ATOM 0 HA THR B 90 9.541 -1.737 -3.275 1.00 0.34 H new ATOM 0 HB THR B 90 10.945 0.931 -3.510 1.00 0.38 H new ATOM 0 HG1 THR B 90 11.861 -1.003 -1.640 1.00 0.43 H new ATOM 0 HG21 THR B 90 10.403 1.074 -1.117 1.00 0.43 H new ATOM 0 HG22 THR B 90 8.951 0.786 -2.105 1.00 0.43 H new ATOM 0 HG23 THR B 90 9.682 -0.552 -1.186 1.00 0.43 H new ATOM 3125 N SER B 91 7.840 -0.814 -4.766 1.00 0.28 N ATOM 3126 CA SER B 91 6.754 -0.228 -5.532 1.00 0.27 C ATOM 3127 C SER B 91 6.171 0.965 -4.778 1.00 0.23 C ATOM 3128 O SER B 91 5.453 0.800 -3.796 1.00 0.28 O ATOM 3129 CB SER B 91 5.684 -1.287 -5.789 1.00 0.36 C ATOM 3130 OG SER B 91 6.277 -2.491 -6.247 1.00 0.97 O ATOM 0 H SER B 91 7.585 -1.661 -4.258 1.00 0.28 H new ATOM 0 HA SER B 91 7.130 0.127 -6.491 1.00 0.27 H new ATOM 0 HB2 SER B 91 5.124 -1.476 -4.873 1.00 0.36 H new ATOM 0 HB3 SER B 91 4.972 -0.921 -6.529 1.00 0.36 H new ATOM 0 HG SER B 91 6.566 -2.380 -7.177 1.00 0.97 H new ATOM 3136 N SER B 92 6.500 2.162 -5.231 1.00 0.23 N ATOM 3137 CA SER B 92 6.028 3.376 -4.589 1.00 0.28 C ATOM 3138 C SER B 92 4.706 3.836 -5.190 1.00 0.26 C ATOM 3139 O SER B 92 4.546 3.855 -6.409 1.00 0.36 O ATOM 3140 CB SER B 92 7.081 4.473 -4.730 1.00 0.36 C ATOM 3141 OG SER B 92 8.348 4.013 -4.286 1.00 1.27 O ATOM 0 H SER B 92 7.095 2.319 -6.045 1.00 0.23 H new ATOM 0 HA SER B 92 5.861 3.166 -3.532 1.00 0.28 H new ATOM 0 HB2 SER B 92 7.148 4.788 -5.771 1.00 0.36 H new ATOM 0 HB3 SER B 92 6.783 5.347 -4.151 1.00 0.36 H new ATOM 0 HG SER B 92 8.286 3.739 -3.347 1.00 1.27 H new ATOM 3147 N PHE B 93 3.761 4.182 -4.331 1.00 0.25 N ATOM 3148 CA PHE B 93 2.463 4.656 -4.777 1.00 0.27 C ATOM 3149 C PHE B 93 2.128 5.983 -4.104 1.00 0.25 C ATOM 3150 O PHE B 93 2.133 6.087 -2.874 1.00 0.25 O ATOM 3151 CB PHE B 93 1.381 3.618 -4.464 1.00 0.33 C ATOM 3152 CG PHE B 93 0.193 3.690 -5.382 1.00 0.37 C ATOM 3153 CD1 PHE B 93 -0.672 4.770 -5.339 1.00 0.35 C ATOM 3154 CD2 PHE B 93 -0.056 2.675 -6.290 1.00 0.47 C ATOM 3155 CE1 PHE B 93 -1.762 4.836 -6.184 1.00 0.41 C ATOM 3156 CE2 PHE B 93 -1.144 2.735 -7.138 1.00 0.54 C ATOM 3157 CZ PHE B 93 -1.998 3.818 -7.085 1.00 0.50 C ATOM 0 H PHE B 93 3.870 4.143 -3.318 1.00 0.25 H new ATOM 0 HA PHE B 93 2.499 4.808 -5.856 1.00 0.27 H new ATOM 0 HB2 PHE B 93 1.817 2.621 -4.526 1.00 0.33 H new ATOM 0 HB3 PHE B 93 1.044 3.755 -3.436 1.00 0.33 H new ATOM 0 HD1 PHE B 93 -0.492 5.570 -4.636 1.00 0.35 H new ATOM 0 HD2 PHE B 93 0.609 1.825 -6.336 1.00 0.47 H new ATOM 0 HE1 PHE B 93 -2.429 5.684 -6.140 1.00 0.41 H new ATOM 0 HE2 PHE B 93 -1.326 1.936 -7.841 1.00 0.54 H new ATOM 0 HZ PHE B 93 -2.849 3.869 -7.748 1.00 0.50 H new ATOM 3167 N THR B 94 1.860 6.997 -4.911 1.00 0.30 N ATOM 3168 CA THR B 94 1.518 8.310 -4.396 1.00 0.31 C ATOM 3169 C THR B 94 0.039 8.381 -4.037 1.00 0.33 C ATOM 3170 O THR B 94 -0.826 8.328 -4.915 1.00 0.37 O ATOM 3171 CB THR B 94 1.844 9.405 -5.426 1.00 0.38 C ATOM 3172 OG1 THR B 94 1.988 8.819 -6.729 1.00 0.59 O ATOM 3173 CG2 THR B 94 3.119 10.139 -5.046 1.00 0.37 C ATOM 0 H THR B 94 1.873 6.934 -5.929 1.00 0.30 H new ATOM 0 HA THR B 94 2.113 8.476 -3.498 1.00 0.31 H new ATOM 0 HB THR B 94 1.024 10.123 -5.440 1.00 0.38 H new ATOM 0 HG1 THR B 94 2.644 9.330 -7.247 1.00 0.59 H new ATOM 0 HG21 THR B 94 3.331 10.909 -5.788 1.00 0.37 H new ATOM 0 HG22 THR B 94 2.994 10.603 -4.068 1.00 0.37 H new ATOM 0 HG23 THR B 94 3.948 9.433 -5.009 1.00 0.37 H new ATOM 3181 N PHE B 95 -0.247 8.490 -2.749 1.00 0.35 N ATOM 3182 CA PHE B 95 -1.621 8.562 -2.281 1.00 0.41 C ATOM 3183 C PHE B 95 -2.188 9.957 -2.495 1.00 0.45 C ATOM 3184 O PHE B 95 -1.942 10.874 -1.708 1.00 0.49 O ATOM 3185 CB PHE B 95 -1.706 8.163 -0.808 1.00 0.48 C ATOM 3186 CG PHE B 95 -1.686 6.675 -0.600 1.00 0.56 C ATOM 3187 CD1 PHE B 95 -0.630 5.911 -1.071 1.00 0.95 C ATOM 3188 CD2 PHE B 95 -2.727 6.041 0.056 1.00 0.91 C ATOM 3189 CE1 PHE B 95 -0.612 4.545 -0.891 1.00 1.03 C ATOM 3190 CE2 PHE B 95 -2.714 4.672 0.238 1.00 0.98 C ATOM 3191 CZ PHE B 95 -1.655 3.925 -0.235 1.00 0.78 C ATOM 0 H PHE B 95 0.454 8.530 -2.010 1.00 0.35 H new ATOM 0 HA PHE B 95 -2.220 7.860 -2.861 1.00 0.41 H new ATOM 0 HB2 PHE B 95 -0.872 8.611 -0.267 1.00 0.48 H new ATOM 0 HB3 PHE B 95 -2.621 8.572 -0.379 1.00 0.48 H new ATOM 0 HD1 PHE B 95 0.189 6.392 -1.585 1.00 0.95 H new ATOM 0 HD2 PHE B 95 -3.557 6.622 0.429 1.00 0.91 H new ATOM 0 HE1 PHE B 95 0.217 3.961 -1.263 1.00 1.03 H new ATOM 0 HE2 PHE B 95 -3.532 4.187 0.750 1.00 0.98 H new ATOM 0 HZ PHE B 95 -1.643 2.855 -0.092 1.00 0.78 H new ATOM 3201 N GLN B 96 -2.925 10.107 -3.581 1.00 0.51 N ATOM 3202 CA GLN B 96 -3.538 11.377 -3.927 1.00 0.56 C ATOM 3203 C GLN B 96 -4.827 11.577 -3.140 1.00 0.63 C ATOM 3204 O GLN B 96 -5.553 10.622 -2.865 1.00 0.71 O ATOM 3205 CB GLN B 96 -3.820 11.427 -5.432 1.00 0.60 C ATOM 3206 CG GLN B 96 -4.455 12.729 -5.907 1.00 0.74 C ATOM 3207 CD GLN B 96 -5.785 12.506 -6.602 1.00 0.88 C ATOM 3208 OE1 GLN B 96 -6.519 11.570 -6.284 1.00 1.41 O ATOM 3209 NE2 GLN B 96 -6.106 13.359 -7.561 1.00 0.91 N ATOM 0 H GLN B 96 -3.115 9.356 -4.245 1.00 0.51 H new ATOM 0 HA GLN B 96 -2.850 12.182 -3.669 1.00 0.56 H new ATOM 0 HB2 GLN B 96 -2.885 11.275 -5.971 1.00 0.60 H new ATOM 0 HB3 GLN B 96 -4.478 10.598 -5.695 1.00 0.60 H new ATOM 0 HG2 GLN B 96 -4.601 13.391 -5.053 1.00 0.74 H new ATOM 0 HG3 GLN B 96 -3.772 13.235 -6.590 1.00 0.74 H new ATOM 0 HE21 GLN B 96 -5.473 14.123 -7.797 1.00 0.91 H new ATOM 0 HE22 GLN B 96 -6.987 13.253 -8.064 1.00 0.91 H new ATOM 3218 N ASN B 97 -5.087 12.813 -2.757 1.00 0.73 N ATOM 3219 CA ASN B 97 -6.291 13.145 -2.017 1.00 0.91 C ATOM 3220 C ASN B 97 -7.368 13.618 -2.989 1.00 0.97 C ATOM 3221 O ASN B 97 -7.150 14.567 -3.747 1.00 0.97 O ATOM 3222 CB ASN B 97 -5.998 14.231 -0.975 1.00 1.06 C ATOM 3223 CG ASN B 97 -7.123 14.394 0.032 1.00 1.43 C ATOM 3224 OD1 ASN B 97 -7.831 13.440 0.349 1.00 1.94 O ATOM 3225 ND2 ASN B 97 -7.294 15.604 0.542 1.00 1.65 N ATOM 0 H ASN B 97 -4.477 13.608 -2.947 1.00 0.73 H new ATOM 0 HA ASN B 97 -6.645 12.258 -1.492 1.00 0.91 H new ATOM 0 HB2 ASN B 97 -5.077 13.984 -0.448 1.00 1.06 H new ATOM 0 HB3 ASN B 97 -5.830 15.181 -1.483 1.00 1.06 H new ATOM 0 HD21 ASN B 97 -8.034 15.770 1.224 1.00 1.65 H new ATOM 0 HD22 ASN B 97 -6.685 16.370 0.253 1.00 1.65 H new ATOM 3232 N PRO B 98 -8.532 12.950 -3.000 1.00 1.12 N ATOM 3233 CA PRO B 98 -9.648 13.300 -3.892 1.00 1.28 C ATOM 3234 C PRO B 98 -10.357 14.594 -3.480 1.00 1.35 C ATOM 3235 O PRO B 98 -11.581 14.630 -3.335 1.00 1.41 O ATOM 3236 CB PRO B 98 -10.588 12.101 -3.758 1.00 1.50 C ATOM 3237 CG PRO B 98 -10.311 11.554 -2.399 1.00 1.51 C ATOM 3238 CD PRO B 98 -8.849 11.788 -2.147 1.00 1.26 C ATOM 0 HA PRO B 98 -9.311 13.488 -4.911 1.00 1.28 H new ATOM 0 HB2 PRO B 98 -11.631 12.402 -3.859 1.00 1.50 H new ATOM 0 HB3 PRO B 98 -10.395 11.358 -4.531 1.00 1.50 H new ATOM 0 HG2 PRO B 98 -10.921 12.053 -1.646 1.00 1.51 H new ATOM 0 HG3 PRO B 98 -10.550 10.492 -2.350 1.00 1.51 H new ATOM 0 HD2 PRO B 98 -8.652 11.997 -1.096 1.00 1.26 H new ATOM 0 HD3 PRO B 98 -8.251 10.917 -2.417 1.00 1.26 H new ATOM 3246 N TYR B 99 -9.582 15.655 -3.302 1.00 1.39 N ATOM 3247 CA TYR B 99 -10.124 16.945 -2.909 1.00 1.52 C ATOM 3248 C TYR B 99 -9.455 18.071 -3.686 1.00 1.54 C ATOM 3249 O TYR B 99 -10.081 18.712 -4.527 1.00 1.80 O ATOM 3250 CB TYR B 99 -9.941 17.170 -1.407 1.00 1.68 C ATOM 3251 CG TYR B 99 -10.920 16.400 -0.547 1.00 1.87 C ATOM 3252 CD1 TYR B 99 -12.173 16.921 -0.251 1.00 2.26 C ATOM 3253 CD2 TYR B 99 -10.592 15.150 -0.035 1.00 1.83 C ATOM 3254 CE1 TYR B 99 -13.069 16.219 0.533 1.00 2.61 C ATOM 3255 CE2 TYR B 99 -11.483 14.445 0.747 1.00 2.10 C ATOM 3256 CZ TYR B 99 -12.719 14.983 1.028 1.00 2.50 C ATOM 3257 OH TYR B 99 -13.609 14.280 1.805 1.00 2.90 O ATOM 0 H TYR B 99 -8.569 15.645 -3.425 1.00 1.39 H new ATOM 0 HA TYR B 99 -11.189 16.946 -3.139 1.00 1.52 H new ATOM 0 HB2 TYR B 99 -8.926 16.886 -1.128 1.00 1.68 H new ATOM 0 HB3 TYR B 99 -10.044 18.234 -1.194 1.00 1.68 H new ATOM 0 HD1 TYR B 99 -12.451 17.890 -0.639 1.00 2.26 H new ATOM 0 HD2 TYR B 99 -9.624 14.724 -0.253 1.00 1.83 H new ATOM 0 HE1 TYR B 99 -14.039 16.638 0.756 1.00 2.61 H new ATOM 0 HE2 TYR B 99 -11.212 13.475 1.137 1.00 2.10 H new ATOM 0 HH TYR B 99 -14.251 13.816 1.228 1.00 2.90 H new ATOM 3267 N SER B 100 -8.175 18.296 -3.413 1.00 1.37 N ATOM 3268 CA SER B 100 -7.421 19.352 -4.078 1.00 1.42 C ATOM 3269 C SER B 100 -6.209 18.780 -4.807 1.00 1.24 C ATOM 3270 O SER B 100 -5.249 19.502 -5.096 1.00 1.29 O ATOM 3271 CB SER B 100 -6.971 20.395 -3.053 1.00 1.52 C ATOM 3272 OG SER B 100 -7.840 20.412 -1.931 1.00 2.27 O ATOM 0 H SER B 100 -7.636 17.759 -2.733 1.00 1.37 H new ATOM 0 HA SER B 100 -8.070 19.826 -4.814 1.00 1.42 H new ATOM 0 HB2 SER B 100 -5.954 20.175 -2.727 1.00 1.52 H new ATOM 0 HB3 SER B 100 -6.951 21.381 -3.517 1.00 1.52 H new ATOM 0 HG SER B 100 -7.532 21.085 -1.289 1.00 2.27 H new ATOM 3278 N ASP B 101 -6.264 17.480 -5.090 1.00 1.08 N ATOM 3279 CA ASP B 101 -5.187 16.777 -5.794 1.00 0.96 C ATOM 3280 C ASP B 101 -3.894 16.780 -4.975 1.00 0.87 C ATOM 3281 O ASP B 101 -2.795 16.727 -5.525 1.00 0.91 O ATOM 3282 CB ASP B 101 -4.945 17.406 -7.175 1.00 1.15 C ATOM 3283 CG ASP B 101 -4.119 16.520 -8.087 1.00 1.33 C ATOM 3284 OD1 ASP B 101 -4.600 15.427 -8.454 1.00 1.27 O ATOM 3285 OD2 ASP B 101 -2.991 16.920 -8.455 1.00 2.06 O ATOM 0 H ASP B 101 -7.053 16.884 -4.840 1.00 1.08 H new ATOM 0 HA ASP B 101 -5.498 15.741 -5.930 1.00 0.96 H new ATOM 0 HB2 ASP B 101 -5.905 17.613 -7.648 1.00 1.15 H new ATOM 0 HB3 ASP B 101 -4.439 18.363 -7.050 1.00 1.15 H new ATOM 3290 N GLU B 102 -4.025 16.840 -3.654 1.00 0.88 N ATOM 3291 CA GLU B 102 -2.855 16.849 -2.782 1.00 0.85 C ATOM 3292 C GLU B 102 -2.355 15.430 -2.555 1.00 0.72 C ATOM 3293 O GLU B 102 -2.999 14.465 -2.965 1.00 0.72 O ATOM 3294 CB GLU B 102 -3.172 17.503 -1.430 1.00 1.03 C ATOM 3295 CG GLU B 102 -4.301 18.517 -1.474 1.00 1.30 C ATOM 3296 CD GLU B 102 -5.612 17.929 -1.000 1.00 1.72 C ATOM 3297 OE1 GLU B 102 -6.312 17.299 -1.815 1.00 2.51 O ATOM 3298 OE2 GLU B 102 -5.947 18.087 0.193 1.00 1.82 O ATOM 0 H GLU B 102 -4.920 16.883 -3.167 1.00 0.88 H new ATOM 0 HA GLU B 102 -2.079 17.434 -3.276 1.00 0.85 H new ATOM 0 HB2 GLU B 102 -3.429 16.722 -0.714 1.00 1.03 H new ATOM 0 HB3 GLU B 102 -2.273 17.994 -1.058 1.00 1.03 H new ATOM 0 HG2 GLU B 102 -4.043 19.374 -0.852 1.00 1.30 H new ATOM 0 HG3 GLU B 102 -4.417 18.886 -2.493 1.00 1.30 H new ATOM 3305 N ILE B 103 -1.206 15.304 -1.912 1.00 0.68 N ATOM 3306 CA ILE B 103 -0.637 13.998 -1.629 1.00 0.59 C ATOM 3307 C ILE B 103 -0.601 13.750 -0.126 1.00 0.61 C ATOM 3308 O ILE B 103 0.049 14.488 0.617 1.00 0.74 O ATOM 3309 CB ILE B 103 0.791 13.859 -2.202 1.00 0.62 C ATOM 3310 CG1 ILE B 103 0.787 14.111 -3.712 1.00 0.67 C ATOM 3311 CG2 ILE B 103 1.357 12.477 -1.893 1.00 0.56 C ATOM 3312 CD1 ILE B 103 2.170 14.152 -4.325 1.00 0.99 C ATOM 0 H ILE B 103 -0.650 16.090 -1.576 1.00 0.68 H new ATOM 0 HA ILE B 103 -1.275 13.257 -2.111 1.00 0.59 H new ATOM 0 HB ILE B 103 1.428 14.606 -1.729 1.00 0.62 H new ATOM 0 HG12 ILE B 103 0.206 13.329 -4.200 1.00 0.67 H new ATOM 0 HG13 ILE B 103 0.282 15.056 -3.913 1.00 0.67 H new ATOM 0 HG21 ILE B 103 2.363 12.396 -2.304 1.00 0.56 H new ATOM 0 HG22 ILE B 103 1.393 12.332 -0.813 1.00 0.56 H new ATOM 0 HG23 ILE B 103 0.720 11.714 -2.341 1.00 0.56 H new ATOM 0 HD11 ILE B 103 2.088 14.334 -5.396 1.00 0.99 H new ATOM 0 HD12 ILE B 103 2.749 14.952 -3.864 1.00 0.99 H new ATOM 0 HD13 ILE B 103 2.671 13.199 -4.157 1.00 0.99 H new ATOM 3324 N GLU B 104 -1.315 12.722 0.314 1.00 0.54 N ATOM 3325 CA GLU B 104 -1.362 12.362 1.724 1.00 0.59 C ATOM 3326 C GLU B 104 0.001 11.849 2.178 1.00 0.51 C ATOM 3327 O GLU B 104 0.616 12.389 3.101 1.00 0.56 O ATOM 3328 CB GLU B 104 -2.429 11.287 1.947 1.00 0.69 C ATOM 3329 CG GLU B 104 -3.815 11.846 2.214 1.00 0.85 C ATOM 3330 CD GLU B 104 -4.251 11.633 3.648 1.00 1.06 C ATOM 3331 OE1 GLU B 104 -3.591 12.173 4.561 1.00 1.44 O ATOM 3332 OE2 GLU B 104 -5.245 10.915 3.873 1.00 1.33 O ATOM 0 H GLU B 104 -1.873 12.119 -0.291 1.00 0.54 H new ATOM 0 HA GLU B 104 -1.617 13.245 2.310 1.00 0.59 H new ATOM 0 HB2 GLU B 104 -2.470 10.642 1.069 1.00 0.69 H new ATOM 0 HB3 GLU B 104 -2.131 10.662 2.789 1.00 0.69 H new ATOM 0 HG2 GLU B 104 -3.825 12.912 1.988 1.00 0.85 H new ATOM 0 HG3 GLU B 104 -4.532 11.371 1.544 1.00 0.85 H new ATOM 3339 N TYR B 105 0.466 10.811 1.503 1.00 0.42 N ATOM 3340 CA TYR B 105 1.748 10.194 1.796 1.00 0.40 C ATOM 3341 C TYR B 105 2.112 9.238 0.672 1.00 0.33 C ATOM 3342 O TYR B 105 1.367 9.109 -0.302 1.00 0.37 O ATOM 3343 CB TYR B 105 1.717 9.459 3.147 1.00 0.46 C ATOM 3344 CG TYR B 105 0.526 8.540 3.332 1.00 0.47 C ATOM 3345 CD1 TYR B 105 0.530 7.250 2.816 1.00 0.45 C ATOM 3346 CD2 TYR B 105 -0.600 8.963 4.031 1.00 0.59 C ATOM 3347 CE1 TYR B 105 -0.553 6.412 2.989 1.00 0.55 C ATOM 3348 CE2 TYR B 105 -1.685 8.128 4.205 1.00 0.67 C ATOM 3349 CZ TYR B 105 -1.655 6.854 3.683 1.00 0.65 C ATOM 3350 OH TYR B 105 -2.728 6.019 3.855 1.00 0.77 O ATOM 0 H TYR B 105 -0.038 10.371 0.733 1.00 0.42 H new ATOM 0 HA TYR B 105 2.506 10.974 1.868 1.00 0.40 H new ATOM 0 HB2 TYR B 105 2.631 8.874 3.250 1.00 0.46 H new ATOM 0 HB3 TYR B 105 1.719 10.197 3.949 1.00 0.46 H new ATOM 0 HD1 TYR B 105 1.393 6.898 2.271 1.00 0.45 H new ATOM 0 HD2 TYR B 105 -0.625 9.961 4.444 1.00 0.59 H new ATOM 0 HE1 TYR B 105 -0.535 5.412 2.581 1.00 0.55 H new ATOM 0 HE2 TYR B 105 -2.553 8.472 4.748 1.00 0.67 H new ATOM 0 HH TYR B 105 -3.558 6.534 3.783 1.00 0.77 H new ATOM 3360 N ILE B 106 3.243 8.568 0.805 1.00 0.26 N ATOM 3361 CA ILE B 106 3.693 7.639 -0.215 1.00 0.25 C ATOM 3362 C ILE B 106 3.992 6.275 0.392 1.00 0.26 C ATOM 3363 O ILE B 106 4.949 6.118 1.153 1.00 0.28 O ATOM 3364 CB ILE B 106 4.956 8.162 -0.938 1.00 0.26 C ATOM 3365 CG1 ILE B 106 4.745 9.604 -1.413 1.00 0.31 C ATOM 3366 CG2 ILE B 106 5.310 7.260 -2.115 1.00 0.30 C ATOM 3367 CD1 ILE B 106 6.028 10.318 -1.780 1.00 0.36 C ATOM 0 H ILE B 106 3.866 8.650 1.609 1.00 0.26 H new ATOM 0 HA ILE B 106 2.887 7.544 -0.942 1.00 0.25 H new ATOM 0 HB ILE B 106 5.786 8.149 -0.232 1.00 0.26 H new ATOM 0 HG12 ILE B 106 4.082 9.599 -2.278 1.00 0.31 H new ATOM 0 HG13 ILE B 106 4.239 10.165 -0.628 1.00 0.31 H new ATOM 0 HG21 ILE B 106 6.201 7.643 -2.612 1.00 0.30 H new ATOM 0 HG22 ILE B 106 5.502 6.250 -1.754 1.00 0.30 H new ATOM 0 HG23 ILE B 106 4.480 7.241 -2.822 1.00 0.30 H new ATOM 0 HD11 ILE B 106 5.799 11.332 -2.107 1.00 0.36 H new ATOM 0 HD12 ILE B 106 6.685 10.356 -0.911 1.00 0.36 H new ATOM 0 HD13 ILE B 106 6.525 9.780 -2.587 1.00 0.36 H new ATOM 3379 N ILE B 107 3.161 5.298 0.070 1.00 0.29 N ATOM 3380 CA ILE B 107 3.361 3.948 0.567 1.00 0.34 C ATOM 3381 C ILE B 107 4.180 3.167 -0.445 1.00 0.40 C ATOM 3382 O ILE B 107 3.833 3.104 -1.624 1.00 0.52 O ATOM 3383 CB ILE B 107 2.028 3.214 0.861 1.00 0.44 C ATOM 3384 CG1 ILE B 107 1.454 3.693 2.198 1.00 0.46 C ATOM 3385 CG2 ILE B 107 2.226 1.700 0.876 1.00 0.53 C ATOM 3386 CD1 ILE B 107 0.241 2.912 2.663 1.00 0.79 C ATOM 0 H ILE B 107 2.345 5.414 -0.531 1.00 0.29 H new ATOM 0 HA ILE B 107 3.892 4.016 1.516 1.00 0.34 H new ATOM 0 HB ILE B 107 1.322 3.450 0.065 1.00 0.44 H new ATOM 0 HG12 ILE B 107 2.231 3.626 2.960 1.00 0.46 H new ATOM 0 HG13 ILE B 107 1.184 4.745 2.110 1.00 0.46 H new ATOM 0 HG21 ILE B 107 1.275 1.211 1.085 1.00 0.53 H new ATOM 0 HG22 ILE B 107 2.598 1.372 -0.095 1.00 0.53 H new ATOM 0 HG23 ILE B 107 2.947 1.435 1.649 1.00 0.53 H new ATOM 0 HD11 ILE B 107 -0.106 3.312 3.616 1.00 0.79 H new ATOM 0 HD12 ILE B 107 -0.554 2.999 1.922 1.00 0.79 H new ATOM 0 HD13 ILE B 107 0.509 1.863 2.786 1.00 0.79 H new ATOM 3398 N CYS B 108 5.281 2.609 0.012 1.00 0.39 N ATOM 3399 CA CYS B 108 6.156 1.852 -0.856 1.00 0.47 C ATOM 3400 C CYS B 108 6.179 0.381 -0.468 1.00 0.37 C ATOM 3401 O CYS B 108 6.487 0.032 0.673 1.00 0.43 O ATOM 3402 CB CYS B 108 7.566 2.437 -0.800 1.00 0.61 C ATOM 3403 SG CYS B 108 7.667 4.170 -1.300 1.00 1.55 S ATOM 0 H CYS B 108 5.591 2.666 0.982 1.00 0.39 H new ATOM 0 HA CYS B 108 5.775 1.921 -1.875 1.00 0.47 H new ATOM 0 HB2 CYS B 108 7.947 2.341 0.217 1.00 0.61 H new ATOM 0 HB3 CYS B 108 8.219 1.846 -1.443 1.00 0.61 H new ATOM 0 HG CYS B 108 7.906 4.909 -0.258 1.00 1.55 H new ATOM 3409 N THR B 109 5.822 -0.473 -1.410 1.00 0.32 N ATOM 3410 CA THR B 109 5.825 -1.905 -1.186 1.00 0.29 C ATOM 3411 C THR B 109 7.239 -2.447 -1.358 1.00 0.26 C ATOM 3412 O THR B 109 7.671 -2.753 -2.472 1.00 0.27 O ATOM 3413 CB THR B 109 4.873 -2.619 -2.162 1.00 0.39 C ATOM 3414 OG1 THR B 109 3.801 -1.736 -2.524 1.00 0.48 O ATOM 3415 CG2 THR B 109 4.307 -3.885 -1.538 1.00 0.49 C ATOM 0 H THR B 109 5.524 -0.195 -2.345 1.00 0.32 H new ATOM 0 HA THR B 109 5.479 -2.095 -0.170 1.00 0.29 H new ATOM 0 HB THR B 109 5.436 -2.896 -3.053 1.00 0.39 H new ATOM 0 HG1 THR B 109 3.035 -1.893 -1.934 1.00 0.48 H new ATOM 0 HG21 THR B 109 3.637 -4.372 -2.247 1.00 0.49 H new ATOM 0 HG22 THR B 109 5.123 -4.562 -1.286 1.00 0.49 H new ATOM 0 HG23 THR B 109 3.755 -3.629 -0.634 1.00 0.49 H new ATOM 3423 N ASN B 110 7.963 -2.534 -0.256 1.00 0.35 N ATOM 3424 CA ASN B 110 9.336 -3.014 -0.269 1.00 0.40 C ATOM 3425 C ASN B 110 9.386 -4.510 -0.539 1.00 0.45 C ATOM 3426 O ASN B 110 9.278 -5.318 0.379 1.00 0.57 O ATOM 3427 CB ASN B 110 10.015 -2.696 1.063 1.00 0.53 C ATOM 3428 CG ASN B 110 11.091 -1.636 0.935 1.00 1.18 C ATOM 3429 OD1 ASN B 110 11.845 -1.612 -0.033 1.00 1.84 O ATOM 3430 ND2 ASN B 110 11.157 -0.738 1.904 1.00 1.84 N ATOM 0 H ASN B 110 7.619 -2.276 0.669 1.00 0.35 H new ATOM 0 HA ASN B 110 9.869 -2.505 -1.072 1.00 0.40 H new ATOM 0 HB2 ASN B 110 9.264 -2.360 1.778 1.00 0.53 H new ATOM 0 HB3 ASN B 110 10.455 -3.607 1.468 1.00 0.53 H new ATOM 0 HD21 ASN B 110 11.852 0.007 1.862 1.00 1.84 H new ATOM 0 HD22 ASN B 110 10.513 -0.791 2.693 1.00 1.84 H new ATOM 3437 N THR B 111 9.519 -4.868 -1.806 1.00 0.39 N ATOM 3438 CA THR B 111 9.588 -6.264 -2.201 1.00 0.41 C ATOM 3439 C THR B 111 11.020 -6.640 -2.559 1.00 0.38 C ATOM 3440 O THR B 111 11.602 -6.081 -3.490 1.00 0.43 O ATOM 3441 CB THR B 111 8.674 -6.548 -3.405 1.00 0.45 C ATOM 3442 OG1 THR B 111 7.529 -5.682 -3.365 1.00 0.50 O ATOM 3443 CG2 THR B 111 8.219 -7.999 -3.406 1.00 0.52 C ATOM 0 H THR B 111 9.581 -4.207 -2.581 1.00 0.39 H new ATOM 0 HA THR B 111 9.250 -6.864 -1.356 1.00 0.41 H new ATOM 0 HB THR B 111 9.240 -6.360 -4.318 1.00 0.45 H new ATOM 0 HG1 THR B 111 6.871 -6.039 -2.733 1.00 0.50 H new ATOM 0 HG21 THR B 111 7.574 -8.177 -4.266 1.00 0.52 H new ATOM 0 HG22 THR B 111 9.089 -8.653 -3.463 1.00 0.52 H new ATOM 0 HG23 THR B 111 7.668 -8.208 -2.489 1.00 0.52 H new ATOM 3451 N ASN B 112 11.584 -7.578 -1.819 1.00 0.36 N ATOM 3452 CA ASN B 112 12.952 -8.012 -2.058 1.00 0.36 C ATOM 3453 C ASN B 112 13.021 -8.927 -3.272 1.00 0.34 C ATOM 3454 O ASN B 112 12.230 -9.857 -3.404 1.00 0.37 O ATOM 3455 CB ASN B 112 13.512 -8.727 -0.825 1.00 0.45 C ATOM 3456 CG ASN B 112 14.815 -9.452 -1.112 1.00 0.39 C ATOM 3457 OD1 ASN B 112 14.827 -10.657 -1.361 1.00 0.71 O ATOM 3458 ND2 ASN B 112 15.921 -8.728 -1.079 1.00 0.42 N ATOM 0 H ASN B 112 11.117 -8.055 -1.047 1.00 0.36 H new ATOM 0 HA ASN B 112 13.559 -7.129 -2.255 1.00 0.36 H new ATOM 0 HB2 ASN B 112 13.673 -7.999 -0.030 1.00 0.45 H new ATOM 0 HB3 ASN B 112 12.776 -9.442 -0.459 1.00 0.45 H new ATOM 0 HD21 ASN B 112 16.823 -9.166 -1.264 1.00 0.42 H new ATOM 0 HD22 ASN B 112 15.872 -7.731 -0.869 1.00 0.42 H new ATOM 3465 N VAL B 113 13.964 -8.648 -4.158 1.00 0.36 N ATOM 3466 CA VAL B 113 14.146 -9.448 -5.360 1.00 0.44 C ATOM 3467 C VAL B 113 15.358 -10.356 -5.201 1.00 0.50 C ATOM 3468 O VAL B 113 15.372 -11.489 -5.683 1.00 0.78 O ATOM 3469 CB VAL B 113 14.326 -8.563 -6.612 1.00 0.52 C ATOM 3470 CG1 VAL B 113 14.298 -9.404 -7.878 1.00 0.98 C ATOM 3471 CG2 VAL B 113 13.256 -7.485 -6.663 1.00 0.83 C ATOM 0 H VAL B 113 14.618 -7.870 -4.067 1.00 0.36 H new ATOM 0 HA VAL B 113 13.247 -10.049 -5.496 1.00 0.44 H new ATOM 0 HB VAL B 113 15.300 -8.079 -6.548 1.00 0.52 H new ATOM 0 HG11 VAL B 113 14.427 -8.758 -8.747 1.00 0.98 H new ATOM 0 HG12 VAL B 113 15.105 -10.136 -7.847 1.00 0.98 H new ATOM 0 HG13 VAL B 113 13.342 -9.922 -7.950 1.00 0.98 H new ATOM 0 HG21 VAL B 113 13.400 -6.872 -7.552 1.00 0.83 H new ATOM 0 HG22 VAL B 113 12.271 -7.951 -6.699 1.00 0.83 H new ATOM 0 HG23 VAL B 113 13.328 -6.858 -5.774 1.00 0.83 H new ATOM 3481 N LYS B 114 16.373 -9.853 -4.514 1.00 0.66 N ATOM 3482 CA LYS B 114 17.589 -10.612 -4.277 1.00 0.80 C ATOM 3483 C LYS B 114 18.339 -10.032 -3.087 1.00 0.96 C ATOM 3484 O LYS B 114 17.958 -10.328 -1.937 1.00 1.54 O ATOM 3485 CB LYS B 114 18.490 -10.595 -5.513 1.00 1.37 C ATOM 3486 CG LYS B 114 19.506 -11.726 -5.540 1.00 1.56 C ATOM 3487 CD LYS B 114 20.878 -11.237 -5.976 1.00 2.38 C ATOM 3488 CE LYS B 114 21.882 -11.305 -4.835 1.00 2.81 C ATOM 3489 NZ LYS B 114 21.730 -10.172 -3.886 1.00 3.21 N ATOM 3490 OXT LYS B 114 19.304 -9.276 -3.308 1.00 0.67 O ATOM 0 H LYS B 114 16.377 -8.917 -4.109 1.00 0.66 H new ATOM 0 HA LYS B 114 17.312 -11.645 -4.064 1.00 0.80 H new ATOM 0 HB2 LYS B 114 17.868 -10.654 -6.406 1.00 1.37 H new ATOM 0 HB3 LYS B 114 19.018 -9.642 -5.555 1.00 1.37 H new ATOM 0 HG2 LYS B 114 19.577 -12.175 -4.549 1.00 1.56 H new ATOM 0 HG3 LYS B 114 19.164 -12.506 -6.220 1.00 1.56 H new ATOM 0 HD2 LYS B 114 21.233 -11.842 -6.811 1.00 2.38 H new ATOM 0 HD3 LYS B 114 20.803 -10.211 -6.335 1.00 2.38 H new ATOM 0 HE2 LYS B 114 21.757 -12.246 -4.298 1.00 2.81 H new ATOM 0 HE3 LYS B 114 22.893 -11.303 -5.242 1.00 2.81 H new ATOM 0 HZ1 LYS B 114 21.952 -10.494 -2.922 1.00 3.21 H new ATOM 0 HZ2 LYS B 114 22.380 -9.406 -4.153 1.00 3.21 H new ATOM 0 HZ3 LYS B 114 20.751 -9.822 -3.917 1.00 3.21 H new TER 3504 LYS B 114