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: A 106 TYR OH : rot 0:sc= 1.2 USER MOD Set 1.2: B 96 GLN : amide:sc= 2.18 K(o=3.4,f=0.37!) USER MOD Set 2.1: B 73 SER OG : rot 175:sc= 0.932 USER MOD Set 2.2: B 91 SER OG : rot -87:sc= 0.977 USER MOD Set 3.1: B 90 THR OG1 : rot -86:sc= 1.18 USER MOD Set 3.2: B 110 ASN : amide:sc= 0.904 K(o=2.1,f=-2.3) USER MOD Set 4.1: B 16 HIS : no HE2:sc= 1.18 K(o=4.5,f=-16!) USER MOD Set 4.2: B 92 SER OG : rot -103:sc= 1.37 USER MOD Set 4.3: B 108 CYS SG : rot 118:sc= 1.93 USER MOD Set 5.1: A 70 GLN : amide:sc= 1.29 X(o=2.4,f=2.2) USER MOD Set 5.2: A 109 SER OG : rot 180:sc= 1.07 USER MOD Set 6.1: A 92 ASN : amide:sc= 1.29 K(o=2.4,f=-8!) USER MOD Set 6.2: A 99 GLN : amide:sc= 1.14 K(o=2.4,f=-8) USER MOD Set 7.1: A 10 SER OG : rot -119:sc= 1.29 USER MOD Set 7.2: A 12 HIS : no HE2:sc= 2.27 K(o=5.1,f=-4.7!) USER MOD Set 7.3: A 16 MET CE :methyl 171:sc= -0.076 (180deg=-0.269) USER MOD Set 7.4: A 21 CYS SG : rot 13:sc= -1.02 USER MOD Set 7.5: A 45 TYR OH : rot 130:sc= -0.0444 USER MOD Set 7.6: A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 7.7: A 71 TYR OH : rot 100:sc= 0.843 USER MOD Set 7.8: A 85 THR OG1 : rot 140:sc= 1.62 USER MOD Set 7.9: A 103 CYS SG : rot 42:sc= 0.212 USER MOD Set 7.10: A 105 ASN : amide:sc= 0 K(o=5.1,f=3.8) USER MOD Set 8.1: A 65 GLN : amide:sc= 1.68 K(o=3.2,f=-0.83) USER MOD Set 8.2: A 88 THR OG1 : rot 152:sc= 1.02 USER MOD Set 8.3: B 70 GLN : amide:sc= 0.458 K(o=3.2,f=-0.83!) USER MOD Set 9.1: A 59 ASN : amide:sc= 0.935 K(o=2,f=-9.9!) USER MOD Set 9.2: A 63 LYS NZ :NH3+ 152:sc= 1.02 (180deg=-0.369) USER MOD Set10.1: A 56 SER OG : rot 72:sc= 1.08 USER MOD Set10.2: A 68 SER OG : rot -131:sc= 0.214 USER MOD Set11.1: A 13 SER OG : rot -129:sc= 2.5 USER MOD Set11.2: A 19 THR OG1 : rot -161:sc= 1.3 USER MOD Set11.3: A 100 CYS SG : rot 111:sc= -1.65! USER MOD Single : A 6 LYS NZ :NH3+ 171:sc= 1.19 (180deg=1.02) USER MOD Single : A 7 THR OG1 : rot 85:sc= 1.21 USER MOD Single : A 14 MET CE :methyl 157:sc= -0.224 (180deg=-0.924) USER MOD Single : A 17 LYS NZ :NH3+ 171:sc= 1.27 (180deg=1.07) USER MOD Single : A 20 TYR OH : rot -8:sc= 0.0549 USER MOD Single : A 26 THR OG1 : rot 85:sc= 0.379 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.62 K(o=-0.62,f=-0.098) USER MOD Single : A 40 SER OG : rot 82:sc= 1.23 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HE2:sc= -1.92 K(o=-1.3,f=-9.7!) USER MOD Single : A 50 SER OG : rot -81:sc= 0.461 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 54 THR OG1 : rot 74:sc= 1.23 USER MOD Single : A 55 LYS NZ :NH3+ -121:sc= 1.26 (180deg=-0.119) USER MOD Single : A 57 HIS : no HD1:sc= -0.105 X(o=-0.1,f=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 CYS SG : rot 69:sc= 0.425 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 161:sc= 0.0108 (180deg=-0.181) USER MOD Single : A 77 HIS : no HD1:sc= -2.13! K(o=-2.1!,f=-0.044) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.0318 USER MOD Single : A 86 GLN : amide:sc= 1.2 K(o=1.2,f=-0.013) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 102 MET CE :methyl -121:sc= -0.0246 (180deg=-0.275) USER MOD Single : B 7 CYS SG : rot 180:sc= 0 USER MOD Single : B 8 GLN : amide:sc= 0.284 K(o=0.28,f=-1) USER MOD Single : B 10 THR OG1 : rot -150:sc= 0.0455 USER MOD Single : B 14 SER OG : rot -71:sc= 1.05 USER MOD Single : B 17 ASN : amide:sc= -2.04! C(o=-2!,f=-5.5!) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 27 HIS : no HD1:sc= 0.528 K(o=0.53,f=-3.8!) USER MOD Single : B 29 CYS SG : rot 105:sc= 1.41 USER MOD Single : B 32 THR OG1 : rot -171:sc= -1.39! USER MOD Single : B 35 TYR OH : rot 150:sc= 0 USER MOD Single : B 36 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.15) USER MOD Single : B 38 GLN : amide:sc= 0.604 K(o=0.6,f=-7.3!) USER MOD Single : B 43 LYS NZ :NH3+ 177:sc= 1.22 (180deg=1.05) USER MOD Single : B 44 ASN : amide:sc= -0.0436 X(o=-0.044,f=0) USER MOD Single : B 49 CYS SG : rot 76:sc= -0.272 USER MOD Single : B 50 HIS : no HE2:sc= -0.21 K(o=-0.21,f=-4.7!) USER MOD Single : B 54 GLN : amide:sc= -0.689 K(o=-0.69,f=-1.8) USER MOD Single : B 55 GLN : amide:sc= -0.104 K(o=-0.1,f=-0.9) USER MOD Single : B 60 SER OG : rot 79:sc= 1.21 USER MOD Single : B 62 GLN : amide:sc= -0.908 K(o=-0.91,f=-0.12) USER MOD Single : B 63 GLN : amide:sc= 0.94 K(o=0.94,f=-1.1) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ -178:sc= 1.29 (180deg=1.24) USER MOD Single : B 75 MET CE :methyl 165:sc= -0.173 (180deg=-0.952) USER MOD Single : B 80 SER OG : rot 180:sc= -0.361 USER MOD Single : B 81 LYS NZ :NH3+ -150:sc= 1.27 (180deg=1.17) USER MOD Single : B 82 ASN : amide:sc= 1.18 K(o=1.2,f=-0.081) USER MOD Single : B 83 GLN : amide:sc= 0.334 K(o=0.33,f=-3.7!) USER MOD Single : B 88 MET CE :methyl 164:sc= -0.0912 (180deg=-0.472) USER MOD Single : B 94 THR OG1 : rot -142:sc= 0.759 USER MOD Single : B 97 ASN : amide:sc= -0.426 K(o=-0.43,f=-1.3) USER MOD Single : B 99 TYR OH : rot 159:sc= 1.31 USER MOD Single : B 100 SER OG : rot 180:sc= 0 USER MOD Single : B 105 TYR OH : rot 178:sc= 1.87 USER MOD Single : B 109 THR OG1 : rot 75:sc= 0.0374 USER MOD Single : B 111 THR OG1 : rot 77:sc= 0.566 USER MOD Single : B 112 ASN : amide:sc= 1.24 K(o=1.2,f=-4.4!) USER MOD Single : B 114 LYS NZ :NH3+ 134:sc= 1.3 (180deg=0.686) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 6 -9.302 -13.334 -1.580 1.00 0.00 N ATOM 2 CA LYS A 6 -9.352 -12.090 -2.375 1.00 0.00 C ATOM 3 C LYS A 6 -9.162 -10.881 -1.473 1.00 0.00 C ATOM 4 O LYS A 6 -9.890 -10.703 -0.495 1.00 0.00 O ATOM 5 CB LYS A 6 -10.685 -11.979 -3.125 1.00 0.00 C ATOM 6 CG LYS A 6 -10.817 -12.939 -4.299 1.00 0.00 C ATOM 7 CD LYS A 6 -9.784 -12.646 -5.377 1.00 0.00 C ATOM 8 CE LYS A 6 -9.899 -13.615 -6.544 1.00 0.00 C ATOM 9 NZ LYS A 6 -8.778 -13.457 -7.507 1.00 0.00 N ATOM 0 HA LYS A 6 -8.544 -12.119 -3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.500 -12.163 -2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.801 -10.958 -3.489 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.697 -13.964 -3.948 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.818 -12.862 -4.723 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.913 -11.625 -5.737 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.783 -12.709 -4.949 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.912 -14.638 -6.167 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.846 -13.453 -7.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.806 -14.230 -8.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.869 -12.545 -7.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.873 -13.486 -6.995 1.00 0.00 H new ATOM 25 N THR A 7 -8.176 -10.059 -1.801 1.00 0.00 N ATOM 26 CA THR A 7 -7.879 -8.866 -1.026 1.00 0.00 C ATOM 27 C THR A 7 -7.227 -7.808 -1.913 1.00 0.00 C ATOM 28 O THR A 7 -6.466 -8.145 -2.823 1.00 0.00 O ATOM 29 CB THR A 7 -6.932 -9.197 0.151 1.00 0.00 C ATOM 30 OG1 THR A 7 -6.648 -10.603 0.173 1.00 0.00 O ATOM 31 CG2 THR A 7 -7.544 -8.784 1.479 1.00 0.00 C ATOM 0 H THR A 7 -7.564 -10.199 -2.605 1.00 0.00 H new ATOM 0 HA THR A 7 -8.818 -8.481 -0.629 1.00 0.00 H new ATOM 0 HB THR A 7 -6.008 -8.638 0.006 1.00 0.00 H new ATOM 0 HG1 THR A 7 -5.900 -10.795 -0.430 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.856 -9.029 2.288 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.732 -7.710 1.475 1.00 0.00 H new ATOM 0 HG23 THR A 7 -8.484 -9.316 1.628 1.00 0.00 H new ATOM 39 N PHE A 8 -7.536 -6.537 -1.671 1.00 0.00 N ATOM 40 CA PHE A 8 -6.944 -5.459 -2.454 1.00 0.00 C ATOM 41 C PHE A 8 -6.654 -4.245 -1.572 1.00 0.00 C ATOM 42 O PHE A 8 -7.382 -3.960 -0.616 1.00 0.00 O ATOM 43 CB PHE A 8 -7.828 -5.083 -3.662 1.00 0.00 C ATOM 44 CG PHE A 8 -8.986 -4.167 -3.364 1.00 0.00 C ATOM 45 CD1 PHE A 8 -8.822 -2.790 -3.378 1.00 0.00 C ATOM 46 CD2 PHE A 8 -10.241 -4.686 -3.093 1.00 0.00 C ATOM 47 CE1 PHE A 8 -9.888 -1.950 -3.124 1.00 0.00 C ATOM 48 CE2 PHE A 8 -11.311 -3.850 -2.837 1.00 0.00 C ATOM 49 CZ PHE A 8 -11.134 -2.480 -2.853 1.00 0.00 C ATOM 0 H PHE A 8 -8.186 -6.231 -0.947 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.995 -5.818 -2.853 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.199 -4.610 -4.416 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.218 -6.000 -4.103 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.850 -2.370 -3.590 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -10.385 -5.756 -3.082 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.747 -0.879 -3.137 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -12.284 -4.267 -2.625 1.00 0.00 H new ATOM 0 HZ PHE A 8 -11.969 -1.824 -2.654 1.00 0.00 H new ATOM 59 N LEU A 9 -5.571 -3.551 -1.888 1.00 0.00 N ATOM 60 CA LEU A 9 -5.152 -2.375 -1.138 1.00 0.00 C ATOM 61 C LEU A 9 -5.630 -1.100 -1.829 1.00 0.00 C ATOM 62 O LEU A 9 -5.374 -0.892 -3.014 1.00 0.00 O ATOM 63 CB LEU A 9 -3.619 -2.363 -1.004 1.00 0.00 C ATOM 64 CG LEU A 9 -3.044 -1.522 0.149 1.00 0.00 C ATOM 65 CD1 LEU A 9 -2.983 -0.048 -0.225 1.00 0.00 C ATOM 66 CD2 LEU A 9 -3.860 -1.716 1.418 1.00 0.00 C ATOM 0 H LEU A 9 -4.959 -3.786 -2.669 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.598 -2.415 -0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.278 -3.391 -0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.196 -1.996 -1.939 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.027 -1.866 0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.573 0.522 0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.346 0.079 -1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.987 0.312 -0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.435 -1.112 2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.890 -1.408 1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.840 -2.767 1.706 1.00 0.00 H new ATOM 78 N SER A 10 -6.334 -0.258 -1.091 1.00 0.00 N ATOM 79 CA SER A 10 -6.821 1.000 -1.628 1.00 0.00 C ATOM 80 C SER A 10 -6.098 2.154 -0.941 1.00 0.00 C ATOM 81 O SER A 10 -6.333 2.435 0.233 1.00 0.00 O ATOM 82 CB SER A 10 -8.336 1.117 -1.426 1.00 0.00 C ATOM 83 OG SER A 10 -8.895 2.120 -2.263 1.00 0.00 O ATOM 0 H SER A 10 -6.581 -0.424 -0.115 1.00 0.00 H new ATOM 0 HA SER A 10 -6.620 1.038 -2.699 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.808 0.158 -1.640 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.548 1.352 -0.383 1.00 0.00 H new ATOM 0 HG SER A 10 -9.309 2.814 -1.709 1.00 0.00 H new ATOM 89 N ARG A 11 -5.198 2.804 -1.661 1.00 0.00 N ATOM 90 CA ARG A 11 -4.444 3.911 -1.099 1.00 0.00 C ATOM 91 C ARG A 11 -5.162 5.232 -1.340 1.00 0.00 C ATOM 92 O ARG A 11 -5.451 5.598 -2.480 1.00 0.00 O ATOM 93 CB ARG A 11 -3.037 3.955 -1.689 1.00 0.00 C ATOM 94 CG ARG A 11 -2.002 4.489 -0.721 1.00 0.00 C ATOM 95 CD ARG A 11 -0.592 4.270 -1.236 1.00 0.00 C ATOM 96 NE ARG A 11 0.390 4.384 -0.162 1.00 0.00 N ATOM 97 CZ ARG A 11 1.351 5.303 -0.124 1.00 0.00 C ATOM 98 NH1 ARG A 11 1.540 6.113 -1.157 1.00 0.00 N ATOM 99 NH2 ARG A 11 2.137 5.401 0.940 1.00 0.00 N ATOM 0 H ARG A 11 -4.973 2.585 -2.631 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.365 3.756 -0.023 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.749 2.951 -2.002 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.044 4.578 -2.584 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.170 5.554 -0.559 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.118 3.997 0.245 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.519 3.284 -1.695 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.369 5.000 -2.014 1.00 0.00 H new ATOM 0 HE ARG A 11 0.336 3.717 0.608 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.948 6.032 -1.983 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.278 6.817 -1.125 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.005 4.771 1.731 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.873 6.106 0.967 1.00 0.00 H new ATOM 113 N HIS A 12 -5.469 5.927 -0.255 1.00 0.00 N ATOM 114 CA HIS A 12 -6.150 7.211 -0.328 1.00 0.00 C ATOM 115 C HIS A 12 -5.294 8.273 0.342 1.00 0.00 C ATOM 116 O HIS A 12 -5.056 8.210 1.542 1.00 0.00 O ATOM 117 CB HIS A 12 -7.522 7.138 0.354 1.00 0.00 C ATOM 118 CG HIS A 12 -8.498 6.229 -0.329 1.00 0.00 C ATOM 119 ND1 HIS A 12 -9.603 6.683 -1.016 1.00 0.00 N ATOM 120 CD2 HIS A 12 -8.534 4.881 -0.420 1.00 0.00 C ATOM 121 CE1 HIS A 12 -10.272 5.654 -1.497 1.00 0.00 C ATOM 122 NE2 HIS A 12 -9.644 4.547 -1.151 1.00 0.00 N ATOM 0 H HIS A 12 -5.255 5.620 0.694 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.303 7.470 -1.376 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -7.387 6.802 1.382 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.947 8.141 0.400 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -9.863 7.662 -1.134 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.819 4.193 0.006 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.181 5.708 -2.077 1.00 0.00 H new ATOM 131 N SER A 13 -4.828 9.243 -0.424 1.00 0.00 N ATOM 132 CA SER A 13 -3.973 10.288 0.123 1.00 0.00 C ATOM 133 C SER A 13 -4.670 11.646 0.152 1.00 0.00 C ATOM 134 O SER A 13 -5.646 11.869 -0.567 1.00 0.00 O ATOM 135 CB SER A 13 -2.691 10.382 -0.701 1.00 0.00 C ATOM 136 OG SER A 13 -2.172 9.092 -0.979 1.00 0.00 O ATOM 0 H SER A 13 -5.024 9.331 -1.421 1.00 0.00 H new ATOM 0 HA SER A 13 -3.739 10.019 1.153 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.892 10.906 -1.635 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.948 10.968 -0.160 1.00 0.00 H new ATOM 0 HG SER A 13 -1.225 9.059 -0.728 1.00 0.00 H new ATOM 142 N MET A 14 -4.150 12.536 1.005 1.00 0.00 N ATOM 143 CA MET A 14 -4.663 13.902 1.167 1.00 0.00 C ATOM 144 C MET A 14 -6.156 13.932 1.488 1.00 0.00 C ATOM 145 O MET A 14 -6.557 13.667 2.620 1.00 0.00 O ATOM 146 CB MET A 14 -4.370 14.742 -0.078 1.00 0.00 C ATOM 147 CG MET A 14 -2.896 15.060 -0.262 1.00 0.00 C ATOM 148 SD MET A 14 -2.595 16.206 -1.621 1.00 0.00 S ATOM 149 CE MET A 14 -3.451 17.663 -1.029 1.00 0.00 C ATOM 0 H MET A 14 -3.354 12.327 1.608 1.00 0.00 H new ATOM 0 HA MET A 14 -4.141 14.335 2.020 1.00 0.00 H new ATOM 0 HB2 MET A 14 -4.731 14.211 -0.958 1.00 0.00 H new ATOM 0 HB3 MET A 14 -4.930 15.675 -0.017 1.00 0.00 H new ATOM 0 HG2 MET A 14 -2.503 15.486 0.661 1.00 0.00 H new ATOM 0 HG3 MET A 14 -2.349 14.135 -0.444 1.00 0.00 H new ATOM 0 HE1 MET A 14 -3.041 18.548 -1.515 1.00 0.00 H new ATOM 0 HE2 MET A 14 -4.513 17.581 -1.261 1.00 0.00 H new ATOM 0 HE3 MET A 14 -3.321 17.748 0.050 1.00 0.00 H new ATOM 159 N ASP A 15 -6.974 14.237 0.485 1.00 0.00 N ATOM 160 CA ASP A 15 -8.424 14.314 0.654 1.00 0.00 C ATOM 161 C ASP A 15 -9.069 12.947 0.454 1.00 0.00 C ATOM 162 O ASP A 15 -10.198 12.841 -0.027 1.00 0.00 O ATOM 163 CB ASP A 15 -9.025 15.333 -0.326 1.00 0.00 C ATOM 164 CG ASP A 15 -8.832 14.953 -1.785 1.00 0.00 C ATOM 165 OD1 ASP A 15 -7.686 14.664 -2.189 1.00 0.00 O ATOM 166 OD2 ASP A 15 -9.827 14.970 -2.543 1.00 0.00 O ATOM 0 H ASP A 15 -6.654 14.437 -0.463 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.629 14.643 1.673 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.091 15.436 -0.123 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.571 16.308 -0.149 1.00 0.00 H new ATOM 171 N MET A 16 -8.331 11.906 0.830 1.00 0.00 N ATOM 172 CA MET A 16 -8.794 10.527 0.722 1.00 0.00 C ATOM 173 C MET A 16 -9.082 10.161 -0.733 1.00 0.00 C ATOM 174 O MET A 16 -9.954 9.339 -1.021 1.00 0.00 O ATOM 175 CB MET A 16 -10.038 10.298 1.595 1.00 0.00 C ATOM 176 CG MET A 16 -10.209 8.854 2.041 1.00 0.00 C ATOM 177 SD MET A 16 -11.744 8.572 2.943 1.00 0.00 S ATOM 178 CE MET A 16 -11.498 6.889 3.503 1.00 0.00 C ATOM 0 H MET A 16 -7.392 11.996 1.219 1.00 0.00 H new ATOM 0 HA MET A 16 -7.999 9.876 1.085 1.00 0.00 H new ATOM 0 HB2 MET A 16 -9.977 10.937 2.476 1.00 0.00 H new ATOM 0 HB3 MET A 16 -10.924 10.606 1.039 1.00 0.00 H new ATOM 0 HG2 MET A 16 -10.183 8.204 1.166 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.366 8.572 2.672 1.00 0.00 H new ATOM 0 HE1 MET A 16 -12.285 6.621 4.208 1.00 0.00 H new ATOM 0 HE2 MET A 16 -11.531 6.213 2.649 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.528 6.807 3.994 1.00 0.00 H new ATOM 188 N LYS A 17 -8.338 10.763 -1.649 1.00 0.00 N ATOM 189 CA LYS A 17 -8.517 10.487 -3.066 1.00 0.00 C ATOM 190 C LYS A 17 -7.730 9.246 -3.467 1.00 0.00 C ATOM 191 O LYS A 17 -6.856 8.789 -2.729 1.00 0.00 O ATOM 192 CB LYS A 17 -8.079 11.678 -3.918 1.00 0.00 C ATOM 193 CG LYS A 17 -6.613 12.048 -3.755 1.00 0.00 C ATOM 194 CD LYS A 17 -6.037 12.619 -5.042 1.00 0.00 C ATOM 195 CE LYS A 17 -6.885 13.756 -5.594 1.00 0.00 C ATOM 196 NZ LYS A 17 -6.884 14.944 -4.701 1.00 0.00 N ATOM 0 H LYS A 17 -7.608 11.443 -1.438 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.578 10.310 -3.242 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.272 11.452 -4.967 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.692 12.541 -3.660 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.508 12.778 -2.952 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.044 11.166 -3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.025 12.979 -4.857 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.963 11.828 -5.788 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.510 14.042 -6.577 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.909 13.409 -5.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.345 15.742 -5.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.403 14.722 -3.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.904 15.201 -4.466 1.00 0.00 H new ATOM 210 N PHE A 18 -8.041 8.708 -4.635 1.00 0.00 N ATOM 211 CA PHE A 18 -7.369 7.515 -5.129 1.00 0.00 C ATOM 212 C PHE A 18 -5.996 7.850 -5.708 1.00 0.00 C ATOM 213 O PHE A 18 -5.892 8.416 -6.798 1.00 0.00 O ATOM 214 CB PHE A 18 -8.217 6.825 -6.200 1.00 0.00 C ATOM 215 CG PHE A 18 -9.496 6.223 -5.688 1.00 0.00 C ATOM 216 CD1 PHE A 18 -9.513 4.938 -5.174 1.00 0.00 C ATOM 217 CD2 PHE A 18 -10.682 6.939 -5.730 1.00 0.00 C ATOM 218 CE1 PHE A 18 -10.686 4.377 -4.710 1.00 0.00 C ATOM 219 CE2 PHE A 18 -11.860 6.382 -5.269 1.00 0.00 C ATOM 220 CZ PHE A 18 -11.861 5.099 -4.757 1.00 0.00 C ATOM 0 H PHE A 18 -8.756 9.079 -5.261 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.235 6.842 -4.282 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.457 7.549 -6.978 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -7.622 6.040 -6.667 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -8.597 4.367 -5.135 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -10.686 7.943 -6.127 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -10.684 3.374 -4.310 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -12.778 6.949 -5.309 1.00 0.00 H new ATOM 0 HZ PHE A 18 -12.780 4.662 -4.394 1.00 0.00 H new ATOM 230 N THR A 19 -4.952 7.522 -4.965 1.00 0.00 N ATOM 231 CA THR A 19 -3.590 7.756 -5.418 1.00 0.00 C ATOM 232 C THR A 19 -3.059 6.515 -6.124 1.00 0.00 C ATOM 233 O THR A 19 -2.356 6.602 -7.133 1.00 0.00 O ATOM 234 CB THR A 19 -2.673 8.115 -4.241 1.00 0.00 C ATOM 235 OG1 THR A 19 -3.296 7.727 -3.008 1.00 0.00 O ATOM 236 CG2 THR A 19 -2.379 9.606 -4.225 1.00 0.00 C ATOM 0 H THR A 19 -5.022 7.092 -4.043 1.00 0.00 H new ATOM 0 HA THR A 19 -3.601 8.595 -6.114 1.00 0.00 H new ATOM 0 HB THR A 19 -1.731 7.579 -4.357 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.878 8.209 -2.264 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.727 9.839 -3.383 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.886 9.890 -5.155 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.313 10.160 -4.126 1.00 0.00 H new ATOM 244 N TYR A 20 -3.415 5.360 -5.576 1.00 0.00 N ATOM 245 CA TYR A 20 -3.029 4.072 -6.132 1.00 0.00 C ATOM 246 C TYR A 20 -3.887 2.983 -5.503 1.00 0.00 C ATOM 247 O TYR A 20 -4.307 3.107 -4.354 1.00 0.00 O ATOM 248 CB TYR A 20 -1.540 3.778 -5.901 1.00 0.00 C ATOM 249 CG TYR A 20 -1.059 2.542 -6.629 1.00 0.00 C ATOM 250 CD1 TYR A 20 -0.779 2.578 -7.990 1.00 0.00 C ATOM 251 CD2 TYR A 20 -0.905 1.333 -5.959 1.00 0.00 C ATOM 252 CE1 TYR A 20 -0.356 1.446 -8.662 1.00 0.00 C ATOM 253 CE2 TYR A 20 -0.488 0.197 -6.624 1.00 0.00 C ATOM 254 CZ TYR A 20 -0.215 0.258 -7.975 1.00 0.00 C ATOM 255 OH TYR A 20 0.191 -0.875 -8.641 1.00 0.00 O ATOM 0 H TYR A 20 -3.982 5.291 -4.731 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.190 4.097 -7.210 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -0.952 4.636 -6.226 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.361 3.656 -4.833 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.894 3.505 -8.532 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.115 1.282 -4.901 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.137 1.492 -9.719 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.376 -0.735 -6.089 1.00 0.00 H new ATOM 0 HH TYR A 20 0.211 -0.698 -9.605 1.00 0.00 H new ATOM 265 N CYS A 21 -4.175 1.938 -6.259 1.00 0.00 N ATOM 266 CA CYS A 21 -4.976 0.836 -5.755 1.00 0.00 C ATOM 267 C CYS A 21 -4.486 -0.480 -6.338 1.00 0.00 C ATOM 268 O CYS A 21 -3.886 -0.504 -7.414 1.00 0.00 O ATOM 269 CB CYS A 21 -6.459 1.053 -6.076 1.00 0.00 C ATOM 270 SG CYS A 21 -7.238 2.340 -5.072 1.00 0.00 S ATOM 0 H CYS A 21 -3.866 1.829 -7.225 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.868 0.796 -4.671 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.559 1.315 -7.129 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.995 0.115 -5.929 1.00 0.00 H new ATOM 0 HG CYS A 21 -6.320 3.027 -4.459 1.00 0.00 H new ATOM 276 N ASP A 22 -4.719 -1.557 -5.602 1.00 0.00 N ATOM 277 CA ASP A 22 -4.316 -2.892 -6.025 1.00 0.00 C ATOM 278 C ASP A 22 -5.041 -3.283 -7.307 1.00 0.00 C ATOM 279 O ASP A 22 -6.193 -2.898 -7.519 1.00 0.00 O ATOM 280 CB ASP A 22 -4.612 -3.904 -4.916 1.00 0.00 C ATOM 281 CG ASP A 22 -3.969 -5.251 -5.168 1.00 0.00 C ATOM 282 OD1 ASP A 22 -4.501 -6.015 -5.987 1.00 0.00 O ATOM 283 OD2 ASP A 22 -2.922 -5.542 -4.554 1.00 0.00 O ATOM 0 H ASP A 22 -5.191 -1.532 -4.698 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.244 -2.890 -6.222 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.257 -3.509 -3.964 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.691 -4.032 -4.825 1.00 0.00 H new ATOM 288 N ASP A 23 -4.372 -4.061 -8.145 1.00 0.00 N ATOM 289 CA ASP A 23 -4.933 -4.487 -9.425 1.00 0.00 C ATOM 290 C ASP A 23 -6.126 -5.427 -9.249 1.00 0.00 C ATOM 291 O ASP A 23 -6.912 -5.617 -10.180 1.00 0.00 O ATOM 292 CB ASP A 23 -3.853 -5.161 -10.281 1.00 0.00 C ATOM 293 CG ASP A 23 -3.580 -6.599 -9.878 1.00 0.00 C ATOM 294 OD1 ASP A 23 -4.292 -7.503 -10.362 1.00 0.00 O ATOM 295 OD2 ASP A 23 -2.636 -6.833 -9.092 1.00 0.00 O ATOM 0 H ASP A 23 -3.433 -4.414 -7.962 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.294 -3.593 -9.933 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.159 -5.136 -11.327 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.929 -4.588 -10.206 1.00 0.00 H new ATOM 300 N ARG A 24 -6.266 -6.004 -8.059 1.00 0.00 N ATOM 301 CA ARG A 24 -7.364 -6.924 -7.777 1.00 0.00 C ATOM 302 C ARG A 24 -8.718 -6.216 -7.775 1.00 0.00 C ATOM 303 O ARG A 24 -9.757 -6.863 -7.878 1.00 0.00 O ATOM 304 CB ARG A 24 -7.157 -7.619 -6.433 1.00 0.00 C ATOM 305 CG ARG A 24 -6.588 -9.021 -6.552 1.00 0.00 C ATOM 306 CD ARG A 24 -5.069 -9.008 -6.581 1.00 0.00 C ATOM 307 NE ARG A 24 -4.512 -10.326 -6.283 1.00 0.00 N ATOM 308 CZ ARG A 24 -4.368 -10.811 -5.052 1.00 0.00 C ATOM 309 NH1 ARG A 24 -4.690 -10.068 -3.998 1.00 0.00 N ATOM 310 NH2 ARG A 24 -3.896 -12.036 -4.873 1.00 0.00 N ATOM 0 H ARG A 24 -5.633 -5.851 -7.274 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.366 -7.665 -8.576 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.487 -7.015 -5.821 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.111 -7.667 -5.908 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.931 -9.626 -5.713 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.966 -9.492 -7.460 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.726 -8.682 -7.563 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.697 -8.283 -5.857 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.216 -10.909 -7.066 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.049 -9.123 -4.131 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.578 -10.443 -3.056 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.643 -12.608 -5.679 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.786 -12.407 -3.929 1.00 0.00 H new ATOM 324 N ILE A 25 -8.715 -4.893 -7.670 1.00 0.00 N ATOM 325 CA ILE A 25 -9.963 -4.138 -7.650 1.00 0.00 C ATOM 326 C ILE A 25 -10.711 -4.278 -8.981 1.00 0.00 C ATOM 327 O ILE A 25 -11.941 -4.197 -9.029 1.00 0.00 O ATOM 328 CB ILE A 25 -9.721 -2.644 -7.321 1.00 0.00 C ATOM 329 CG1 ILE A 25 -11.037 -1.951 -6.957 1.00 0.00 C ATOM 330 CG2 ILE A 25 -9.053 -1.931 -8.487 1.00 0.00 C ATOM 331 CD1 ILE A 25 -10.853 -0.575 -6.356 1.00 0.00 C ATOM 0 H ILE A 25 -7.871 -4.324 -7.598 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.583 -4.559 -6.858 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.052 -2.594 -6.462 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.653 -1.867 -7.852 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.584 -2.576 -6.251 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.894 -0.884 -8.230 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.093 -2.402 -8.700 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.692 -1.996 -9.368 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -11.828 -0.146 -6.124 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.264 -0.653 -5.442 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.335 0.067 -7.068 1.00 0.00 H new ATOM 343 N THR A 26 -9.968 -4.536 -10.049 1.00 0.00 N ATOM 344 CA THR A 26 -10.549 -4.691 -11.374 1.00 0.00 C ATOM 345 C THR A 26 -11.345 -5.992 -11.487 1.00 0.00 C ATOM 346 O THR A 26 -12.322 -6.068 -12.230 1.00 0.00 O ATOM 347 CB THR A 26 -9.452 -4.674 -12.451 1.00 0.00 C ATOM 348 OG1 THR A 26 -8.289 -4.010 -11.940 1.00 0.00 O ATOM 349 CG2 THR A 26 -9.933 -3.961 -13.705 1.00 0.00 C ATOM 0 H THR A 26 -8.954 -4.643 -10.022 1.00 0.00 H new ATOM 0 HA THR A 26 -11.227 -3.852 -11.530 1.00 0.00 H new ATOM 0 HB THR A 26 -9.208 -5.704 -12.711 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.745 -4.648 -11.432 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.139 -3.962 -14.452 1.00 0.00 H new ATOM 0 HG22 THR A 26 -10.807 -4.476 -14.104 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.198 -2.933 -13.460 1.00 0.00 H new ATOM 357 N GLU A 27 -10.943 -7.003 -10.728 1.00 0.00 N ATOM 358 CA GLU A 27 -11.619 -8.296 -10.764 1.00 0.00 C ATOM 359 C GLU A 27 -12.573 -8.455 -9.583 1.00 0.00 C ATOM 360 O GLU A 27 -13.234 -9.485 -9.440 1.00 0.00 O ATOM 361 CB GLU A 27 -10.587 -9.429 -10.768 1.00 0.00 C ATOM 362 CG GLU A 27 -9.648 -9.399 -9.573 1.00 0.00 C ATOM 363 CD GLU A 27 -8.476 -10.346 -9.721 1.00 0.00 C ATOM 364 OE1 GLU A 27 -7.643 -10.133 -10.628 1.00 0.00 O ATOM 365 OE2 GLU A 27 -8.380 -11.307 -8.934 1.00 0.00 O ATOM 0 H GLU A 27 -10.155 -6.955 -10.082 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.208 -8.345 -11.680 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.110 -10.385 -10.785 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.999 -9.371 -11.684 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.274 -8.384 -9.437 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.206 -9.657 -8.673 1.00 0.00 H new ATOM 372 N LEU A 28 -12.647 -7.434 -8.740 1.00 0.00 N ATOM 373 CA LEU A 28 -13.523 -7.474 -7.573 1.00 0.00 C ATOM 374 C LEU A 28 -14.639 -6.443 -7.688 1.00 0.00 C ATOM 375 O LEU A 28 -15.817 -6.763 -7.525 1.00 0.00 O ATOM 376 CB LEU A 28 -12.721 -7.238 -6.291 1.00 0.00 C ATOM 377 CG LEU A 28 -11.720 -8.341 -5.944 1.00 0.00 C ATOM 378 CD1 LEU A 28 -10.795 -7.892 -4.826 1.00 0.00 C ATOM 379 CD2 LEU A 28 -12.449 -9.621 -5.560 1.00 0.00 C ATOM 0 H LEU A 28 -12.114 -6.570 -8.840 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.975 -8.465 -7.530 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.182 -6.295 -6.386 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.417 -7.125 -5.460 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.113 -8.545 -6.826 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.090 -8.691 -4.594 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.246 -7.005 -5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.383 -7.658 -3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.721 -10.395 -5.316 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.083 -9.433 -4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.066 -9.953 -6.395 1.00 0.00 H new ATOM 391 N ILE A 29 -14.263 -5.206 -7.972 1.00 0.00 N ATOM 392 CA ILE A 29 -15.227 -4.124 -8.104 1.00 0.00 C ATOM 393 C ILE A 29 -15.553 -3.875 -9.575 1.00 0.00 C ATOM 394 O ILE A 29 -16.703 -3.615 -9.934 1.00 0.00 O ATOM 395 CB ILE A 29 -14.701 -2.829 -7.436 1.00 0.00 C ATOM 396 CG1 ILE A 29 -14.679 -3.001 -5.911 1.00 0.00 C ATOM 397 CG2 ILE A 29 -15.546 -1.623 -7.832 1.00 0.00 C ATOM 398 CD1 ILE A 29 -14.239 -1.761 -5.161 1.00 0.00 C ATOM 0 H ILE A 29 -13.293 -4.925 -8.116 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.142 -4.420 -7.592 1.00 0.00 H new ATOM 0 HB ILE A 29 -13.685 -2.647 -7.786 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -15.676 -3.284 -5.573 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -14.011 -3.824 -5.657 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -15.153 -0.729 -7.348 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -15.512 -1.495 -8.914 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -16.577 -1.782 -7.517 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.249 -1.961 -4.090 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -13.230 -1.488 -5.470 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -14.921 -0.940 -5.383 1.00 0.00 H new ATOM 410 N GLY A 30 -14.540 -3.961 -10.423 1.00 0.00 N ATOM 411 CA GLY A 30 -14.749 -3.753 -11.842 1.00 0.00 C ATOM 412 C GLY A 30 -14.107 -2.476 -12.336 1.00 0.00 C ATOM 413 O GLY A 30 -13.864 -2.314 -13.532 1.00 0.00 O ATOM 0 H GLY A 30 -13.578 -4.171 -10.156 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.341 -4.599 -12.395 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.819 -3.723 -12.049 1.00 0.00 H new ATOM 417 N TYR A 31 -13.828 -1.566 -11.416 1.00 0.00 N ATOM 418 CA TYR A 31 -13.201 -0.301 -11.767 1.00 0.00 C ATOM 419 C TYR A 31 -11.694 -0.481 -11.873 1.00 0.00 C ATOM 420 O TYR A 31 -11.074 -1.073 -10.992 1.00 0.00 O ATOM 421 CB TYR A 31 -13.527 0.775 -10.727 1.00 0.00 C ATOM 422 CG TYR A 31 -14.905 1.384 -10.881 1.00 0.00 C ATOM 423 CD1 TYR A 31 -15.215 2.185 -11.974 1.00 0.00 C ATOM 424 CD2 TYR A 31 -15.894 1.156 -9.934 1.00 0.00 C ATOM 425 CE1 TYR A 31 -16.472 2.741 -12.117 1.00 0.00 C ATOM 426 CE2 TYR A 31 -17.155 1.707 -10.070 1.00 0.00 C ATOM 427 CZ TYR A 31 -17.439 2.498 -11.163 1.00 0.00 C ATOM 428 OH TYR A 31 -18.696 3.042 -11.306 1.00 0.00 O ATOM 0 H TYR A 31 -14.025 -1.679 -10.422 1.00 0.00 H new ATOM 0 HA TYR A 31 -13.594 0.022 -12.731 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -13.442 0.340 -9.731 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -12.781 1.567 -10.793 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -14.461 2.376 -12.724 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -15.675 0.538 -9.076 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -16.696 3.363 -12.971 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -17.913 1.519 -9.324 1.00 0.00 H new ATOM 0 HH TYR A 31 -19.257 2.773 -10.549 1.00 0.00 H new ATOM 438 N HIS A 32 -11.118 0.011 -12.959 1.00 0.00 N ATOM 439 CA HIS A 32 -9.681 -0.090 -13.171 1.00 0.00 C ATOM 440 C HIS A 32 -8.954 0.837 -12.201 1.00 0.00 C ATOM 441 O HIS A 32 -9.330 2.001 -12.064 1.00 0.00 O ATOM 442 CB HIS A 32 -9.332 0.272 -14.619 1.00 0.00 C ATOM 443 CG HIS A 32 -8.067 -0.359 -15.119 1.00 0.00 C ATOM 444 ND1 HIS A 32 -8.051 -1.465 -15.941 1.00 0.00 N ATOM 445 CD2 HIS A 32 -6.769 -0.029 -14.916 1.00 0.00 C ATOM 446 CE1 HIS A 32 -6.801 -1.787 -16.217 1.00 0.00 C ATOM 447 NE2 HIS A 32 -6.006 -0.930 -15.609 1.00 0.00 N ATOM 0 H HIS A 32 -11.623 0.485 -13.708 1.00 0.00 H new ATOM 0 HA HIS A 32 -9.363 -1.116 -12.987 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.156 -0.029 -15.266 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -9.242 1.355 -14.700 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.404 0.793 -14.318 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -6.484 -2.613 -16.836 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -4.987 -0.937 -15.648 1.00 0.00 H new ATOM 456 N PRO A 33 -7.909 0.332 -11.515 1.00 0.00 N ATOM 457 CA PRO A 33 -7.137 1.117 -10.546 1.00 0.00 C ATOM 458 C PRO A 33 -6.727 2.482 -11.083 1.00 0.00 C ATOM 459 O PRO A 33 -7.089 3.512 -10.519 1.00 0.00 O ATOM 460 CB PRO A 33 -5.899 0.254 -10.297 1.00 0.00 C ATOM 461 CG PRO A 33 -6.352 -1.141 -10.552 1.00 0.00 C ATOM 462 CD PRO A 33 -7.409 -1.054 -11.621 1.00 0.00 C ATOM 0 HA PRO A 33 -7.719 1.331 -9.650 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.082 0.533 -10.962 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.533 0.371 -9.277 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.521 -1.766 -10.877 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.753 -1.591 -9.644 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -6.995 -1.255 -12.609 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.205 -1.780 -11.455 1.00 0.00 H new ATOM 470 N GLU A 34 -6.006 2.475 -12.199 1.00 0.00 N ATOM 471 CA GLU A 34 -5.518 3.703 -12.825 1.00 0.00 C ATOM 472 C GLU A 34 -6.652 4.669 -13.192 1.00 0.00 C ATOM 473 O GLU A 34 -6.432 5.876 -13.279 1.00 0.00 O ATOM 474 CB GLU A 34 -4.690 3.363 -14.066 1.00 0.00 C ATOM 475 CG GLU A 34 -3.338 2.731 -13.748 1.00 0.00 C ATOM 476 CD GLU A 34 -2.353 3.708 -13.129 1.00 0.00 C ATOM 477 OE1 GLU A 34 -2.262 4.857 -13.614 1.00 0.00 O ATOM 478 OE2 GLU A 34 -1.660 3.330 -12.159 1.00 0.00 O ATOM 0 H GLU A 34 -5.743 1.623 -12.695 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.892 4.212 -12.092 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.260 2.681 -14.697 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.529 4.273 -14.645 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.487 1.894 -13.066 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.910 2.324 -14.664 1.00 0.00 H new ATOM 485 N GLU A 35 -7.859 4.149 -13.397 1.00 0.00 N ATOM 486 CA GLU A 35 -8.997 4.996 -13.746 1.00 0.00 C ATOM 487 C GLU A 35 -9.478 5.753 -12.519 1.00 0.00 C ATOM 488 O GLU A 35 -9.740 6.955 -12.577 1.00 0.00 O ATOM 489 CB GLU A 35 -10.148 4.166 -14.326 1.00 0.00 C ATOM 490 CG GLU A 35 -11.168 5.002 -15.087 1.00 0.00 C ATOM 491 CD GLU A 35 -12.472 5.205 -14.337 1.00 0.00 C ATOM 492 OE1 GLU A 35 -12.511 6.035 -13.403 1.00 0.00 O ATOM 493 OE2 GLU A 35 -13.473 4.555 -14.698 1.00 0.00 O ATOM 0 H GLU A 35 -8.074 3.154 -13.329 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.669 5.705 -14.506 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.739 3.407 -14.993 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.652 3.640 -13.515 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.732 5.976 -15.311 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.379 4.521 -16.042 1.00 0.00 H new ATOM 500 N LEU A 36 -9.575 5.037 -11.405 1.00 0.00 N ATOM 501 CA LEU A 36 -10.022 5.623 -10.150 1.00 0.00 C ATOM 502 C LEU A 36 -9.035 6.676 -9.668 1.00 0.00 C ATOM 503 O LEU A 36 -9.418 7.652 -9.023 1.00 0.00 O ATOM 504 CB LEU A 36 -10.187 4.538 -9.085 1.00 0.00 C ATOM 505 CG LEU A 36 -11.214 3.457 -9.417 1.00 0.00 C ATOM 506 CD1 LEU A 36 -11.276 2.424 -8.305 1.00 0.00 C ATOM 507 CD2 LEU A 36 -12.583 4.079 -9.646 1.00 0.00 C ATOM 0 H LEU A 36 -9.348 4.044 -11.347 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.987 6.101 -10.322 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.221 4.061 -8.921 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.472 5.012 -8.146 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.906 2.956 -10.334 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.013 1.661 -8.558 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.298 1.958 -8.186 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.562 2.910 -7.372 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -13.304 3.296 -9.882 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.899 4.604 -8.745 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.528 4.783 -10.476 1.00 0.00 H new ATOM 519 N LEU A 37 -7.765 6.470 -9.988 1.00 0.00 N ATOM 520 CA LEU A 37 -6.714 7.393 -9.592 1.00 0.00 C ATOM 521 C LEU A 37 -6.928 8.749 -10.252 1.00 0.00 C ATOM 522 O LEU A 37 -6.654 8.927 -11.441 1.00 0.00 O ATOM 523 CB LEU A 37 -5.334 6.840 -9.963 1.00 0.00 C ATOM 524 CG LEU A 37 -5.090 5.375 -9.599 1.00 0.00 C ATOM 525 CD1 LEU A 37 -3.628 5.014 -9.797 1.00 0.00 C ATOM 526 CD2 LEU A 37 -5.523 5.093 -8.170 1.00 0.00 C ATOM 0 H LEU A 37 -7.438 5.666 -10.524 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.756 7.514 -8.510 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.192 6.957 -11.037 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.574 7.449 -9.473 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.691 4.754 -10.263 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.473 3.968 -9.533 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.353 5.170 -10.840 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.008 5.645 -9.160 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.340 4.045 -7.934 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.954 5.723 -7.486 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.586 5.308 -8.063 1.00 0.00 H new ATOM 538 N GLY A 38 -7.441 9.691 -9.478 1.00 0.00 N ATOM 539 CA GLY A 38 -7.693 11.018 -9.992 1.00 0.00 C ATOM 540 C GLY A 38 -9.107 11.478 -9.712 1.00 0.00 C ATOM 541 O GLY A 38 -9.387 12.676 -9.707 1.00 0.00 O ATOM 0 H GLY A 38 -7.688 9.558 -8.497 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.989 11.719 -9.544 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.515 11.030 -11.067 1.00 0.00 H new ATOM 545 N ARG A 39 -10.000 10.530 -9.465 1.00 0.00 N ATOM 546 CA ARG A 39 -11.389 10.857 -9.184 1.00 0.00 C ATOM 547 C ARG A 39 -11.618 10.973 -7.683 1.00 0.00 C ATOM 548 O ARG A 39 -10.720 10.699 -6.883 1.00 0.00 O ATOM 549 CB ARG A 39 -12.330 9.801 -9.774 1.00 0.00 C ATOM 550 CG ARG A 39 -12.386 8.511 -8.971 1.00 0.00 C ATOM 551 CD ARG A 39 -13.703 7.785 -9.176 1.00 0.00 C ATOM 552 NE ARG A 39 -13.798 7.169 -10.499 1.00 0.00 N ATOM 553 CZ ARG A 39 -14.947 6.826 -11.077 1.00 0.00 C ATOM 554 NH1 ARG A 39 -16.102 7.140 -10.501 1.00 0.00 N ATOM 555 NH2 ARG A 39 -14.937 6.205 -12.247 1.00 0.00 N ATOM 0 H ARG A 39 -9.788 9.532 -9.454 1.00 0.00 H new ATOM 0 HA ARG A 39 -11.608 11.817 -9.651 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -13.334 10.220 -9.841 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -12.011 9.571 -10.791 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.562 7.862 -9.266 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.253 8.734 -7.912 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -13.814 7.016 -8.411 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -14.526 8.487 -9.045 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.933 6.992 -11.009 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -16.109 7.645 -9.615 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -16.982 6.877 -10.945 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -14.050 5.991 -12.703 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.816 5.941 -12.692 1.00 0.00 H new ATOM 569 N SER A 40 -12.819 11.381 -7.312 1.00 0.00 N ATOM 570 CA SER A 40 -13.185 11.534 -5.917 1.00 0.00 C ATOM 571 C SER A 40 -13.685 10.203 -5.362 1.00 0.00 C ATOM 572 O SER A 40 -14.340 9.431 -6.068 1.00 0.00 O ATOM 573 CB SER A 40 -14.262 12.612 -5.780 1.00 0.00 C ATOM 574 OG SER A 40 -14.308 13.440 -6.937 1.00 0.00 O ATOM 0 H SER A 40 -13.565 11.615 -7.968 1.00 0.00 H new ATOM 0 HA SER A 40 -12.309 11.841 -5.345 1.00 0.00 H new ATOM 0 HB2 SER A 40 -15.234 12.142 -5.626 1.00 0.00 H new ATOM 0 HB3 SER A 40 -14.060 13.222 -4.900 1.00 0.00 H new ATOM 0 HG SER A 40 -14.830 12.995 -7.637 1.00 0.00 H new ATOM 580 N ALA A 41 -13.370 9.932 -4.106 1.00 0.00 N ATOM 581 CA ALA A 41 -13.774 8.690 -3.464 1.00 0.00 C ATOM 582 C ALA A 41 -15.275 8.648 -3.199 1.00 0.00 C ATOM 583 O ALA A 41 -15.914 7.612 -3.381 1.00 0.00 O ATOM 584 CB ALA A 41 -13.006 8.495 -2.165 1.00 0.00 C ATOM 0 H ALA A 41 -12.833 10.559 -3.507 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.538 7.875 -4.149 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.318 7.562 -1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.937 8.456 -2.376 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.212 9.327 -1.492 1.00 0.00 H new ATOM 590 N TYR A 42 -15.843 9.783 -2.806 1.00 0.00 N ATOM 591 CA TYR A 42 -17.269 9.857 -2.494 1.00 0.00 C ATOM 592 C TYR A 42 -18.143 9.821 -3.747 1.00 0.00 C ATOM 593 O TYR A 42 -19.365 9.933 -3.655 1.00 0.00 O ATOM 594 CB TYR A 42 -17.581 11.112 -1.677 1.00 0.00 C ATOM 595 CG TYR A 42 -17.072 11.047 -0.255 1.00 0.00 C ATOM 596 CD1 TYR A 42 -17.799 10.402 0.739 1.00 0.00 C ATOM 597 CD2 TYR A 42 -15.858 11.625 0.094 1.00 0.00 C ATOM 598 CE1 TYR A 42 -17.330 10.338 2.039 1.00 0.00 C ATOM 599 CE2 TYR A 42 -15.384 11.563 1.388 1.00 0.00 C ATOM 600 CZ TYR A 42 -16.121 10.920 2.357 1.00 0.00 C ATOM 601 OH TYR A 42 -15.645 10.860 3.647 1.00 0.00 O ATOM 0 H TYR A 42 -15.340 10.664 -2.696 1.00 0.00 H new ATOM 0 HA TYR A 42 -17.506 8.973 -1.902 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -17.141 11.977 -2.173 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -18.660 11.267 -1.662 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -18.745 9.943 0.492 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -15.275 12.132 -0.661 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -17.908 9.835 2.800 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -14.437 12.018 1.640 1.00 0.00 H new ATOM 0 HH TYR A 42 -14.780 11.319 3.698 1.00 0.00 H new ATOM 611 N GLU A 43 -17.521 9.660 -4.910 1.00 0.00 N ATOM 612 CA GLU A 43 -18.259 9.591 -6.167 1.00 0.00 C ATOM 613 C GLU A 43 -19.102 8.323 -6.222 1.00 0.00 C ATOM 614 O GLU A 43 -20.155 8.287 -6.858 1.00 0.00 O ATOM 615 CB GLU A 43 -17.300 9.618 -7.354 1.00 0.00 C ATOM 616 CG GLU A 43 -16.860 11.014 -7.752 1.00 0.00 C ATOM 617 CD GLU A 43 -15.883 11.002 -8.907 1.00 0.00 C ATOM 618 OE1 GLU A 43 -16.061 10.183 -9.833 1.00 0.00 O ATOM 619 OE2 GLU A 43 -14.932 11.811 -8.893 1.00 0.00 O ATOM 0 H GLU A 43 -16.509 9.575 -5.009 1.00 0.00 H new ATOM 0 HA GLU A 43 -18.916 10.459 -6.221 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -16.419 9.024 -7.111 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -17.780 9.141 -8.208 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -17.735 11.604 -8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -16.400 11.505 -6.895 1.00 0.00 H new ATOM 626 N PHE A 44 -18.626 7.286 -5.550 1.00 0.00 N ATOM 627 CA PHE A 44 -19.322 6.010 -5.512 1.00 0.00 C ATOM 628 C PHE A 44 -19.063 5.318 -4.177 1.00 0.00 C ATOM 629 O PHE A 44 -19.005 4.090 -4.087 1.00 0.00 O ATOM 630 CB PHE A 44 -18.879 5.125 -6.693 1.00 0.00 C ATOM 631 CG PHE A 44 -17.441 4.672 -6.643 1.00 0.00 C ATOM 632 CD1 PHE A 44 -16.399 5.579 -6.767 1.00 0.00 C ATOM 633 CD2 PHE A 44 -17.137 3.329 -6.482 1.00 0.00 C ATOM 634 CE1 PHE A 44 -15.085 5.156 -6.727 1.00 0.00 C ATOM 635 CE2 PHE A 44 -15.826 2.901 -6.443 1.00 0.00 C ATOM 636 CZ PHE A 44 -14.798 3.815 -6.565 1.00 0.00 C ATOM 0 H PHE A 44 -17.754 7.304 -5.020 1.00 0.00 H new ATOM 0 HA PHE A 44 -20.394 6.182 -5.606 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -19.521 4.245 -6.729 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -19.039 5.675 -7.620 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -16.618 6.629 -6.896 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -17.936 2.609 -6.386 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -14.283 5.873 -6.822 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -15.604 1.852 -6.317 1.00 0.00 H new ATOM 0 HZ PHE A 44 -13.771 3.482 -6.534 1.00 0.00 H new ATOM 646 N TYR A 45 -18.941 6.120 -3.127 1.00 0.00 N ATOM 647 CA TYR A 45 -18.666 5.598 -1.799 1.00 0.00 C ATOM 648 C TYR A 45 -19.932 5.079 -1.126 1.00 0.00 C ATOM 649 O TYR A 45 -20.358 5.599 -0.096 1.00 0.00 O ATOM 650 CB TYR A 45 -17.999 6.664 -0.926 1.00 0.00 C ATOM 651 CG TYR A 45 -16.585 6.311 -0.515 1.00 0.00 C ATOM 652 CD1 TYR A 45 -15.920 5.231 -1.088 1.00 0.00 C ATOM 653 CD2 TYR A 45 -15.914 7.059 0.443 1.00 0.00 C ATOM 654 CE1 TYR A 45 -14.628 4.910 -0.717 1.00 0.00 C ATOM 655 CE2 TYR A 45 -14.622 6.744 0.818 1.00 0.00 C ATOM 656 CZ TYR A 45 -13.984 5.670 0.235 1.00 0.00 C ATOM 657 OH TYR A 45 -12.698 5.355 0.609 1.00 0.00 O ATOM 0 H TYR A 45 -19.029 7.135 -3.172 1.00 0.00 H new ATOM 0 HA TYR A 45 -17.981 4.758 -1.914 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -17.986 7.610 -1.468 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -18.601 6.818 -0.031 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -16.422 4.634 -1.835 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -16.410 7.901 0.903 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -14.126 4.068 -1.171 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -14.114 7.337 1.565 1.00 0.00 H new ATOM 0 HH TYR A 45 -12.139 6.159 0.569 1.00 0.00 H new ATOM 667 N HIS A 46 -20.514 4.036 -1.725 1.00 0.00 N ATOM 668 CA HIS A 46 -21.724 3.375 -1.213 1.00 0.00 C ATOM 669 C HIS A 46 -22.950 4.270 -1.381 1.00 0.00 C ATOM 670 O HIS A 46 -22.830 5.448 -1.717 1.00 0.00 O ATOM 671 CB HIS A 46 -21.580 2.965 0.269 1.00 0.00 C ATOM 672 CG HIS A 46 -20.205 2.514 0.676 1.00 0.00 C ATOM 673 ND1 HIS A 46 -19.701 2.702 1.946 1.00 0.00 N ATOM 674 CD2 HIS A 46 -19.219 1.908 -0.028 1.00 0.00 C ATOM 675 CE1 HIS A 46 -18.470 2.234 2.004 1.00 0.00 C ATOM 676 NE2 HIS A 46 -18.153 1.750 0.819 1.00 0.00 N ATOM 0 H HIS A 46 -20.158 3.621 -2.586 1.00 0.00 H new ATOM 0 HA HIS A 46 -21.857 2.468 -1.803 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -21.867 3.811 0.893 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -22.286 2.161 0.477 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -20.203 3.136 2.721 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -19.264 1.606 -1.064 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -17.830 2.245 2.874 1.00 0.00 H new ATOM 685 N ALA A 47 -24.128 3.706 -1.145 1.00 0.00 N ATOM 686 CA ALA A 47 -25.370 4.456 -1.278 1.00 0.00 C ATOM 687 C ALA A 47 -25.866 4.932 0.079 1.00 0.00 C ATOM 688 O ALA A 47 -25.934 6.132 0.344 1.00 0.00 O ATOM 689 CB ALA A 47 -26.433 3.608 -1.958 1.00 0.00 C ATOM 0 H ALA A 47 -24.249 2.734 -0.861 1.00 0.00 H new ATOM 0 HA ALA A 47 -25.171 5.332 -1.896 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -27.354 4.184 -2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -26.087 3.317 -2.950 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -26.621 2.714 -1.363 1.00 0.00 H new ATOM 695 N LEU A 48 -26.213 3.984 0.938 1.00 0.00 N ATOM 696 CA LEU A 48 -26.704 4.304 2.272 1.00 0.00 C ATOM 697 C LEU A 48 -25.595 4.122 3.296 1.00 0.00 C ATOM 698 O LEU A 48 -25.709 4.553 4.442 1.00 0.00 O ATOM 699 CB LEU A 48 -27.900 3.416 2.637 1.00 0.00 C ATOM 700 CG LEU A 48 -27.595 1.918 2.765 1.00 0.00 C ATOM 701 CD1 LEU A 48 -28.450 1.294 3.855 1.00 0.00 C ATOM 702 CD2 LEU A 48 -27.825 1.205 1.439 1.00 0.00 C ATOM 0 H LEU A 48 -26.164 2.986 0.735 1.00 0.00 H new ATOM 0 HA LEU A 48 -27.029 5.345 2.277 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -28.316 3.766 3.582 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -28.673 3.548 1.880 1.00 0.00 H new ATOM 0 HG LEU A 48 -26.546 1.806 3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -28.221 0.231 3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -28.239 1.781 4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -29.504 1.421 3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -27.603 0.144 1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -28.865 1.327 1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -27.172 1.633 0.678 1.00 0.00 H new ATOM 714 N ASP A 49 -24.516 3.494 2.861 1.00 0.00 N ATOM 715 CA ASP A 49 -23.373 3.224 3.721 1.00 0.00 C ATOM 716 C ASP A 49 -22.281 4.264 3.505 1.00 0.00 C ATOM 717 O ASP A 49 -21.117 4.041 3.847 1.00 0.00 O ATOM 718 CB ASP A 49 -22.811 1.823 3.441 1.00 0.00 C ATOM 719 CG ASP A 49 -23.827 0.894 2.801 1.00 0.00 C ATOM 720 OD1 ASP A 49 -24.121 1.069 1.596 1.00 0.00 O ATOM 721 OD2 ASP A 49 -24.329 -0.017 3.501 1.00 0.00 O ATOM 0 H ASP A 49 -24.406 3.157 1.905 1.00 0.00 H new ATOM 0 HA ASP A 49 -23.710 3.274 4.756 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -21.943 1.910 2.787 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -22.463 1.383 4.376 1.00 0.00 H new ATOM 726 N SER A 50 -22.651 5.393 2.918 1.00 0.00 N ATOM 727 CA SER A 50 -21.700 6.462 2.661 1.00 0.00 C ATOM 728 C SER A 50 -21.292 7.142 3.966 1.00 0.00 C ATOM 729 O SER A 50 -20.117 7.462 4.172 1.00 0.00 O ATOM 730 CB SER A 50 -22.309 7.474 1.695 1.00 0.00 C ATOM 731 OG SER A 50 -23.114 6.820 0.727 1.00 0.00 O ATOM 0 H SER A 50 -23.603 5.591 2.611 1.00 0.00 H new ATOM 0 HA SER A 50 -20.805 6.037 2.207 1.00 0.00 H new ATOM 0 HB2 SER A 50 -22.910 8.196 2.248 1.00 0.00 H new ATOM 0 HB3 SER A 50 -21.516 8.033 1.198 1.00 0.00 H new ATOM 0 HG SER A 50 -22.544 6.462 0.015 1.00 0.00 H new ATOM 737 N GLU A 51 -22.262 7.332 4.858 1.00 0.00 N ATOM 738 CA GLU A 51 -22.003 7.960 6.148 1.00 0.00 C ATOM 739 C GLU A 51 -21.071 7.090 6.974 1.00 0.00 C ATOM 740 O GLU A 51 -20.272 7.593 7.759 1.00 0.00 O ATOM 741 CB GLU A 51 -23.303 8.209 6.907 1.00 0.00 C ATOM 742 CG GLU A 51 -24.055 9.432 6.420 1.00 0.00 C ATOM 743 CD GLU A 51 -24.815 10.119 7.530 1.00 0.00 C ATOM 744 OE1 GLU A 51 -24.252 10.273 8.635 1.00 0.00 O ATOM 745 OE2 GLU A 51 -25.978 10.508 7.307 1.00 0.00 O ATOM 0 H GLU A 51 -23.234 7.060 4.709 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.526 8.923 5.969 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -23.945 7.334 6.811 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -23.080 8.326 7.968 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -23.351 10.135 5.976 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -24.751 9.138 5.634 1.00 0.00 H new ATOM 752 N ASN A 52 -21.186 5.782 6.786 1.00 0.00 N ATOM 753 CA ASN A 52 -20.338 4.823 7.480 1.00 0.00 C ATOM 754 C ASN A 52 -18.871 5.132 7.200 1.00 0.00 C ATOM 755 O ASN A 52 -18.064 5.263 8.121 1.00 0.00 O ATOM 756 CB ASN A 52 -20.687 3.398 7.032 1.00 0.00 C ATOM 757 CG ASN A 52 -19.580 2.398 7.307 1.00 0.00 C ATOM 758 OD1 ASN A 52 -18.726 2.150 6.454 1.00 0.00 O ATOM 759 ND2 ASN A 52 -19.592 1.814 8.493 1.00 0.00 N ATOM 0 H ASN A 52 -21.865 5.359 6.153 1.00 0.00 H new ATOM 0 HA ASN A 52 -20.509 4.899 8.554 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -21.594 3.075 7.542 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -20.906 3.403 5.964 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -18.875 1.128 8.731 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -20.318 2.049 9.170 1.00 0.00 H new ATOM 766 N MET A 53 -18.547 5.291 5.921 1.00 0.00 N ATOM 767 CA MET A 53 -17.183 5.599 5.508 1.00 0.00 C ATOM 768 C MET A 53 -16.796 7.000 5.966 1.00 0.00 C ATOM 769 O MET A 53 -15.649 7.252 6.331 1.00 0.00 O ATOM 770 CB MET A 53 -17.044 5.488 3.989 1.00 0.00 C ATOM 771 CG MET A 53 -16.137 4.353 3.542 1.00 0.00 C ATOM 772 SD MET A 53 -14.401 4.641 3.934 1.00 0.00 S ATOM 773 CE MET A 53 -13.679 3.092 3.392 1.00 0.00 C ATOM 0 H MET A 53 -19.212 5.211 5.152 1.00 0.00 H new ATOM 0 HA MET A 53 -16.512 4.877 5.973 1.00 0.00 H new ATOM 0 HB2 MET A 53 -18.032 5.346 3.552 1.00 0.00 H new ATOM 0 HB3 MET A 53 -16.655 6.428 3.599 1.00 0.00 H new ATOM 0 HG2 MET A 53 -16.462 3.427 4.017 1.00 0.00 H new ATOM 0 HG3 MET A 53 -16.242 4.214 2.466 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.603 3.111 3.567 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.123 2.268 3.951 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.871 2.954 2.328 1.00 0.00 H new ATOM 783 N THR A 54 -17.767 7.906 5.950 1.00 0.00 N ATOM 784 CA THR A 54 -17.539 9.279 6.376 1.00 0.00 C ATOM 785 C THR A 54 -17.156 9.314 7.856 1.00 0.00 C ATOM 786 O THR A 54 -16.251 10.047 8.263 1.00 0.00 O ATOM 787 CB THR A 54 -18.791 10.150 6.135 1.00 0.00 C ATOM 788 OG1 THR A 54 -19.280 9.949 4.799 1.00 0.00 O ATOM 789 CG2 THR A 54 -18.476 11.624 6.337 1.00 0.00 C ATOM 0 H THR A 54 -18.721 7.712 5.646 1.00 0.00 H new ATOM 0 HA THR A 54 -16.720 9.686 5.783 1.00 0.00 H new ATOM 0 HB THR A 54 -19.553 9.852 6.855 1.00 0.00 H new ATOM 0 HG1 THR A 54 -19.712 9.072 4.737 1.00 0.00 H new ATOM 0 HG21 THR A 54 -19.375 12.215 6.161 1.00 0.00 H new ATOM 0 HG22 THR A 54 -18.129 11.785 7.358 1.00 0.00 H new ATOM 0 HG23 THR A 54 -17.698 11.929 5.637 1.00 0.00 H new ATOM 797 N LYS A 55 -17.838 8.498 8.650 1.00 0.00 N ATOM 798 CA LYS A 55 -17.572 8.413 10.077 1.00 0.00 C ATOM 799 C LYS A 55 -16.214 7.767 10.317 1.00 0.00 C ATOM 800 O LYS A 55 -15.418 8.258 11.121 1.00 0.00 O ATOM 801 CB LYS A 55 -18.675 7.615 10.781 1.00 0.00 C ATOM 802 CG LYS A 55 -19.773 8.479 11.394 1.00 0.00 C ATOM 803 CD LYS A 55 -20.419 9.398 10.365 1.00 0.00 C ATOM 804 CE LYS A 55 -21.635 10.111 10.937 1.00 0.00 C ATOM 805 NZ LYS A 55 -22.886 9.328 10.747 1.00 0.00 N ATOM 0 H LYS A 55 -18.584 7.883 8.325 1.00 0.00 H new ATOM 0 HA LYS A 55 -17.560 9.421 10.491 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -19.125 6.928 10.065 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -18.225 7.007 11.566 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -20.535 7.837 11.835 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -19.354 9.078 12.202 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -19.691 10.135 10.026 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.715 8.817 9.492 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -21.480 10.293 12.000 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -21.742 11.085 10.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -23.566 9.889 10.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -22.670 8.447 10.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -23.298 9.101 11.675 1.00 0.00 H new ATOM 819 N SER A 56 -15.949 6.676 9.600 1.00 0.00 N ATOM 820 CA SER A 56 -14.683 5.965 9.719 1.00 0.00 C ATOM 821 C SER A 56 -13.516 6.891 9.395 1.00 0.00 C ATOM 822 O SER A 56 -12.533 6.940 10.128 1.00 0.00 O ATOM 823 CB SER A 56 -14.657 4.760 8.776 1.00 0.00 C ATOM 824 OG SER A 56 -15.734 3.879 9.036 1.00 0.00 O ATOM 0 H SER A 56 -16.599 6.266 8.929 1.00 0.00 H new ATOM 0 HA SER A 56 -14.585 5.617 10.747 1.00 0.00 H new ATOM 0 HB2 SER A 56 -14.707 5.103 7.743 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.713 4.227 8.890 1.00 0.00 H new ATOM 0 HG SER A 56 -16.571 4.287 8.731 1.00 0.00 H new ATOM 830 N HIS A 57 -13.644 7.634 8.298 1.00 0.00 N ATOM 831 CA HIS A 57 -12.603 8.563 7.868 1.00 0.00 C ATOM 832 C HIS A 57 -12.346 9.622 8.936 1.00 0.00 C ATOM 833 O HIS A 57 -11.200 9.867 9.310 1.00 0.00 O ATOM 834 CB HIS A 57 -13.000 9.237 6.551 1.00 0.00 C ATOM 835 CG HIS A 57 -12.027 10.282 6.089 1.00 0.00 C ATOM 836 ND1 HIS A 57 -12.370 11.604 5.917 1.00 0.00 N ATOM 837 CD2 HIS A 57 -10.717 10.191 5.761 1.00 0.00 C ATOM 838 CE1 HIS A 57 -11.317 12.281 5.503 1.00 0.00 C ATOM 839 NE2 HIS A 57 -10.301 11.447 5.404 1.00 0.00 N ATOM 0 H HIS A 57 -14.462 7.610 7.689 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.686 7.995 7.714 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -13.095 8.475 5.778 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -13.982 9.695 6.669 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -10.113 9.296 5.778 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -11.291 13.338 5.283 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -9.357 11.696 5.109 1.00 0.00 H new ATOM 848 N GLN A 58 -13.419 10.243 9.414 1.00 0.00 N ATOM 849 CA GLN A 58 -13.326 11.278 10.439 1.00 0.00 C ATOM 850 C GLN A 58 -12.643 10.742 11.695 1.00 0.00 C ATOM 851 O GLN A 58 -11.777 11.400 12.273 1.00 0.00 O ATOM 852 CB GLN A 58 -14.725 11.799 10.771 1.00 0.00 C ATOM 853 CG GLN A 58 -14.755 12.836 11.877 1.00 0.00 C ATOM 854 CD GLN A 58 -16.165 13.284 12.199 1.00 0.00 C ATOM 855 OE1 GLN A 58 -16.654 14.276 11.659 1.00 0.00 O ATOM 856 NE2 GLN A 58 -16.827 12.547 13.074 1.00 0.00 N ATOM 0 H GLN A 58 -14.371 10.046 9.105 1.00 0.00 H new ATOM 0 HA GLN A 58 -12.720 12.098 10.054 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -15.163 12.231 9.871 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -15.355 10.958 11.060 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -14.293 12.423 12.773 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -14.160 13.699 11.580 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -16.381 11.733 13.496 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -17.784 12.792 13.327 1.00 0.00 H new ATOM 865 N ASN A 59 -13.035 9.542 12.101 1.00 0.00 N ATOM 866 CA ASN A 59 -12.462 8.900 13.279 1.00 0.00 C ATOM 867 C ASN A 59 -10.992 8.560 13.033 1.00 0.00 C ATOM 868 O ASN A 59 -10.129 8.854 13.856 1.00 0.00 O ATOM 869 CB ASN A 59 -13.258 7.630 13.611 1.00 0.00 C ATOM 870 CG ASN A 59 -12.880 7.001 14.941 1.00 0.00 C ATOM 871 OD1 ASN A 59 -12.342 7.660 15.835 1.00 0.00 O ATOM 872 ND2 ASN A 59 -13.182 5.720 15.088 1.00 0.00 N ATOM 0 H ASN A 59 -13.752 8.990 11.630 1.00 0.00 H new ATOM 0 HA ASN A 59 -12.519 9.585 14.125 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -14.321 7.871 13.623 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -13.106 6.899 12.817 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -12.970 5.243 15.965 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.627 5.210 14.325 1.00 0.00 H new ATOM 879 N LEU A 60 -10.724 7.982 11.865 1.00 0.00 N ATOM 880 CA LEU A 60 -9.378 7.575 11.464 1.00 0.00 C ATOM 881 C LEU A 60 -8.393 8.744 11.483 1.00 0.00 C ATOM 882 O LEU A 60 -7.245 8.586 11.907 1.00 0.00 O ATOM 883 CB LEU A 60 -9.432 6.962 10.062 1.00 0.00 C ATOM 884 CG LEU A 60 -8.096 6.502 9.479 1.00 0.00 C ATOM 885 CD1 LEU A 60 -7.406 5.535 10.424 1.00 0.00 C ATOM 886 CD2 LEU A 60 -8.314 5.852 8.120 1.00 0.00 C ATOM 0 H LEU A 60 -11.438 7.781 11.165 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.021 6.839 12.184 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.108 6.108 10.087 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.869 7.695 9.383 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.454 7.373 9.352 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.457 5.219 9.992 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.224 6.027 11.379 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.042 4.663 10.581 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.356 5.528 7.714 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.972 4.990 8.230 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.771 6.572 7.441 1.00 0.00 H new ATOM 898 N CYS A 61 -8.847 9.910 11.038 1.00 0.00 N ATOM 899 CA CYS A 61 -8.004 11.102 10.993 1.00 0.00 C ATOM 900 C CYS A 61 -7.398 11.420 12.359 1.00 0.00 C ATOM 901 O CYS A 61 -6.275 11.919 12.448 1.00 0.00 O ATOM 902 CB CYS A 61 -8.810 12.301 10.493 1.00 0.00 C ATOM 903 SG CYS A 61 -9.171 12.260 8.723 1.00 0.00 S ATOM 0 H CYS A 61 -9.799 10.057 10.701 1.00 0.00 H new ATOM 0 HA CYS A 61 -7.186 10.898 10.302 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -9.749 12.349 11.044 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -8.261 13.215 10.720 1.00 0.00 H new ATOM 0 HG CYS A 61 -10.012 11.301 8.474 1.00 0.00 H new ATOM 909 N THR A 62 -8.132 11.113 13.418 1.00 0.00 N ATOM 910 CA THR A 62 -7.661 11.375 14.768 1.00 0.00 C ATOM 911 C THR A 62 -7.309 10.074 15.493 1.00 0.00 C ATOM 912 O THR A 62 -7.373 10.000 16.720 1.00 0.00 O ATOM 913 CB THR A 62 -8.723 12.148 15.576 1.00 0.00 C ATOM 914 OG1 THR A 62 -9.578 12.881 14.684 1.00 0.00 O ATOM 915 CG2 THR A 62 -8.062 13.116 16.550 1.00 0.00 C ATOM 0 H THR A 62 -9.055 10.683 13.368 1.00 0.00 H new ATOM 0 HA THR A 62 -6.760 11.984 14.689 1.00 0.00 H new ATOM 0 HB THR A 62 -9.313 11.427 16.142 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.251 13.368 15.203 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.830 13.650 17.109 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.429 12.560 17.242 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.453 13.831 15.996 1.00 0.00 H new ATOM 923 N LYS A 63 -6.935 9.048 14.733 1.00 0.00 N ATOM 924 CA LYS A 63 -6.574 7.758 15.316 1.00 0.00 C ATOM 925 C LYS A 63 -5.262 7.233 14.736 1.00 0.00 C ATOM 926 O LYS A 63 -4.337 6.895 15.474 1.00 0.00 O ATOM 927 CB LYS A 63 -7.686 6.726 15.082 1.00 0.00 C ATOM 928 CG LYS A 63 -8.927 6.952 15.932 1.00 0.00 C ATOM 929 CD LYS A 63 -8.623 6.808 17.412 1.00 0.00 C ATOM 930 CE LYS A 63 -9.863 7.026 18.262 1.00 0.00 C ATOM 931 NZ LYS A 63 -10.992 6.151 17.842 1.00 0.00 N ATOM 0 H LYS A 63 -6.874 9.084 13.715 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.444 7.911 16.387 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.970 6.745 14.030 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.293 5.730 15.288 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.326 7.947 15.737 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.699 6.237 15.647 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.219 5.815 17.606 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.855 7.526 17.698 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.624 6.831 19.307 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.169 8.070 18.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.608 5.963 18.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.541 6.626 17.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.617 5.252 17.477 1.00 0.00 H new ATOM 945 N GLY A 64 -5.191 7.169 13.413 1.00 0.00 N ATOM 946 CA GLY A 64 -4.002 6.664 12.753 1.00 0.00 C ATOM 947 C GLY A 64 -4.290 5.371 12.021 1.00 0.00 C ATOM 948 O GLY A 64 -3.888 5.190 10.871 1.00 0.00 O ATOM 0 H GLY A 64 -5.939 7.459 12.783 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.630 7.408 12.049 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.216 6.501 13.490 1.00 0.00 H new ATOM 952 N GLN A 65 -5.009 4.478 12.686 1.00 0.00 N ATOM 953 CA GLN A 65 -5.376 3.196 12.106 1.00 0.00 C ATOM 954 C GLN A 65 -6.700 2.723 12.694 1.00 0.00 C ATOM 955 O GLN A 65 -6.885 2.744 13.910 1.00 0.00 O ATOM 956 CB GLN A 65 -4.276 2.157 12.357 1.00 0.00 C ATOM 957 CG GLN A 65 -4.632 0.749 11.904 1.00 0.00 C ATOM 958 CD GLN A 65 -3.495 -0.233 12.120 1.00 0.00 C ATOM 959 OE1 GLN A 65 -3.309 -0.757 13.220 1.00 0.00 O ATOM 960 NE2 GLN A 65 -2.741 -0.510 11.070 1.00 0.00 N ATOM 0 H GLN A 65 -5.352 4.621 13.636 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.490 3.317 11.029 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.369 2.474 11.842 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.047 2.137 13.423 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.512 0.407 12.448 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.898 0.767 10.847 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.926 -0.056 10.175 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.975 -1.178 11.154 1.00 0.00 H new ATOM 969 N VAL A 66 -7.621 2.321 11.831 1.00 0.00 N ATOM 970 CA VAL A 66 -8.927 1.842 12.268 1.00 0.00 C ATOM 971 C VAL A 66 -9.403 0.712 11.356 1.00 0.00 C ATOM 972 O VAL A 66 -9.077 0.687 10.168 1.00 0.00 O ATOM 973 CB VAL A 66 -9.974 2.985 12.295 1.00 0.00 C ATOM 974 CG1 VAL A 66 -10.357 3.426 10.889 1.00 0.00 C ATOM 975 CG2 VAL A 66 -11.210 2.573 13.081 1.00 0.00 C ATOM 0 H VAL A 66 -7.489 2.317 10.820 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.822 1.464 13.285 1.00 0.00 H new ATOM 0 HB VAL A 66 -9.514 3.836 12.798 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -11.093 4.228 10.947 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.470 3.784 10.366 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -10.783 2.582 10.346 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -11.929 3.392 13.085 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -11.661 1.696 12.616 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -10.927 2.334 14.106 1.00 0.00 H new ATOM 985 N VAL A 67 -10.145 -0.235 11.914 1.00 0.00 N ATOM 986 CA VAL A 67 -10.650 -1.359 11.138 1.00 0.00 C ATOM 987 C VAL A 67 -12.174 -1.338 11.087 1.00 0.00 C ATOM 988 O VAL A 67 -12.841 -1.566 12.095 1.00 0.00 O ATOM 989 CB VAL A 67 -10.189 -2.714 11.722 1.00 0.00 C ATOM 990 CG1 VAL A 67 -10.256 -3.804 10.664 1.00 0.00 C ATOM 991 CG2 VAL A 67 -8.786 -2.615 12.307 1.00 0.00 C ATOM 0 H VAL A 67 -10.410 -0.247 12.899 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.244 -1.255 10.132 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.869 -2.978 12.532 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.928 -4.750 11.095 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.282 -3.904 10.309 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.607 -3.541 9.829 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.491 -3.584 12.710 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.086 -2.318 11.526 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.776 -1.872 13.105 1.00 0.00 H new ATOM 1001 N SER A 68 -12.720 -1.046 9.918 1.00 0.00 N ATOM 1002 CA SER A 68 -14.161 -1.011 9.736 1.00 0.00 C ATOM 1003 C SER A 68 -14.673 -2.388 9.324 1.00 0.00 C ATOM 1004 O SER A 68 -14.001 -3.114 8.582 1.00 0.00 O ATOM 1005 CB SER A 68 -14.535 0.036 8.685 1.00 0.00 C ATOM 1006 OG SER A 68 -14.024 1.311 9.039 1.00 0.00 O ATOM 0 H SER A 68 -12.184 -0.829 9.078 1.00 0.00 H new ATOM 0 HA SER A 68 -14.629 -0.736 10.681 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.141 -0.261 7.713 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.619 0.088 8.587 1.00 0.00 H new ATOM 0 HG SER A 68 -14.736 1.980 8.967 1.00 0.00 H new ATOM 1012 N GLY A 69 -15.844 -2.753 9.829 1.00 0.00 N ATOM 1013 CA GLY A 69 -16.433 -4.039 9.510 1.00 0.00 C ATOM 1014 C GLY A 69 -16.979 -4.096 8.099 1.00 0.00 C ATOM 1015 O GLY A 69 -16.833 -3.144 7.328 1.00 0.00 O ATOM 0 H GLY A 69 -16.401 -2.176 10.459 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.683 -4.819 9.637 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -17.236 -4.251 10.215 1.00 0.00 H new ATOM 1019 N GLN A 70 -17.622 -5.208 7.769 1.00 0.00 N ATOM 1020 CA GLN A 70 -18.191 -5.409 6.443 1.00 0.00 C ATOM 1021 C GLN A 70 -19.231 -4.349 6.107 1.00 0.00 C ATOM 1022 O GLN A 70 -20.129 -4.064 6.905 1.00 0.00 O ATOM 1023 CB GLN A 70 -18.839 -6.789 6.341 1.00 0.00 C ATOM 1024 CG GLN A 70 -17.849 -7.932 6.225 1.00 0.00 C ATOM 1025 CD GLN A 70 -18.522 -9.237 5.870 1.00 0.00 C ATOM 1026 OE1 GLN A 70 -18.946 -9.990 6.746 1.00 0.00 O ATOM 1027 NE2 GLN A 70 -18.624 -9.514 4.582 1.00 0.00 N ATOM 0 H GLN A 70 -17.763 -5.991 8.407 1.00 0.00 H new ATOM 0 HA GLN A 70 -17.370 -5.330 5.730 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -19.463 -6.951 7.220 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -19.499 -6.805 5.474 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -17.105 -7.690 5.466 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -17.316 -8.045 7.169 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -18.258 -8.861 3.889 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -19.068 -10.381 4.280 1.00 0.00 H new ATOM 1036 N TYR A 71 -19.097 -3.764 4.928 1.00 0.00 N ATOM 1037 CA TYR A 71 -20.032 -2.760 4.456 1.00 0.00 C ATOM 1038 C TYR A 71 -20.354 -3.005 2.987 1.00 0.00 C ATOM 1039 O TYR A 71 -19.712 -3.830 2.339 1.00 0.00 O ATOM 1040 CB TYR A 71 -19.479 -1.340 4.668 1.00 0.00 C ATOM 1041 CG TYR A 71 -18.157 -1.039 3.982 1.00 0.00 C ATOM 1042 CD1 TYR A 71 -18.020 -1.127 2.600 1.00 0.00 C ATOM 1043 CD2 TYR A 71 -17.054 -0.632 4.721 1.00 0.00 C ATOM 1044 CE1 TYR A 71 -16.827 -0.826 1.978 1.00 0.00 C ATOM 1045 CE2 TYR A 71 -15.857 -0.318 4.103 1.00 0.00 C ATOM 1046 CZ TYR A 71 -15.751 -0.420 2.730 1.00 0.00 C ATOM 1047 OH TYR A 71 -14.574 -0.092 2.103 1.00 0.00 O ATOM 0 H TYR A 71 -18.341 -3.971 4.275 1.00 0.00 H new ATOM 0 HA TYR A 71 -20.951 -2.841 5.037 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -20.222 -0.624 4.315 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -19.358 -1.173 5.738 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -18.865 -1.437 2.003 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -17.132 -0.559 5.796 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -16.739 -0.909 0.905 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -15.010 0.005 4.691 1.00 0.00 H new ATOM 0 HH TYR A 71 -14.505 0.883 2.026 1.00 0.00 H new ATOM 1057 N ARG A 72 -21.340 -2.293 2.466 1.00 0.00 N ATOM 1058 CA ARG A 72 -21.736 -2.443 1.072 1.00 0.00 C ATOM 1059 C ARG A 72 -20.865 -1.586 0.160 1.00 0.00 C ATOM 1060 O ARG A 72 -21.109 -0.390 0.009 1.00 0.00 O ATOM 1061 CB ARG A 72 -23.195 -2.037 0.889 1.00 0.00 C ATOM 1062 CG ARG A 72 -24.186 -2.938 1.597 1.00 0.00 C ATOM 1063 CD ARG A 72 -25.603 -2.433 1.401 1.00 0.00 C ATOM 1064 NE ARG A 72 -26.572 -3.187 2.192 1.00 0.00 N ATOM 1065 CZ ARG A 72 -26.965 -2.832 3.414 1.00 0.00 C ATOM 1066 NH1 ARG A 72 -26.466 -1.740 3.988 1.00 0.00 N ATOM 1067 NH2 ARG A 72 -27.858 -3.568 4.066 1.00 0.00 N ATOM 0 H ARG A 72 -21.883 -1.604 2.987 1.00 0.00 H new ATOM 0 HA ARG A 72 -21.608 -3.492 0.803 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -23.325 -1.018 1.252 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -23.427 -2.028 -0.176 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -24.100 -3.954 1.213 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -23.953 -2.979 2.661 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -25.653 -1.380 1.677 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -25.868 -2.499 0.346 1.00 0.00 H new ATOM 0 HE ARG A 72 -26.970 -4.033 1.785 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -25.780 -1.171 3.492 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -26.770 -1.472 4.924 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -28.244 -4.406 3.631 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -28.158 -3.295 5.002 1.00 0.00 H new ATOM 1081 N MET A 73 -19.843 -2.184 -0.432 1.00 0.00 N ATOM 1082 CA MET A 73 -18.964 -1.457 -1.339 1.00 0.00 C ATOM 1083 C MET A 73 -19.549 -1.465 -2.745 1.00 0.00 C ATOM 1084 O MET A 73 -19.842 -2.525 -3.294 1.00 0.00 O ATOM 1085 CB MET A 73 -17.560 -2.062 -1.347 1.00 0.00 C ATOM 1086 CG MET A 73 -16.556 -1.235 -2.133 1.00 0.00 C ATOM 1087 SD MET A 73 -16.560 0.501 -1.640 1.00 0.00 S ATOM 1088 CE MET A 73 -15.433 1.194 -2.847 1.00 0.00 C ATOM 0 H MET A 73 -19.601 -3.166 -0.303 1.00 0.00 H new ATOM 0 HA MET A 73 -18.885 -0.428 -0.989 1.00 0.00 H new ATOM 0 HB2 MET A 73 -17.210 -2.166 -0.320 1.00 0.00 H new ATOM 0 HB3 MET A 73 -17.606 -3.065 -1.771 1.00 0.00 H new ATOM 0 HG2 MET A 73 -15.558 -1.648 -1.990 1.00 0.00 H new ATOM 0 HG3 MET A 73 -16.782 -1.308 -3.197 1.00 0.00 H new ATOM 0 HE1 MET A 73 -15.329 2.265 -2.675 1.00 0.00 H new ATOM 0 HE2 MET A 73 -14.458 0.715 -2.752 1.00 0.00 H new ATOM 0 HE3 MET A 73 -15.824 1.024 -3.850 1.00 0.00 H new ATOM 1098 N LEU A 74 -19.715 -0.285 -3.321 1.00 0.00 N ATOM 1099 CA LEU A 74 -20.289 -0.163 -4.652 1.00 0.00 C ATOM 1100 C LEU A 74 -19.308 -0.616 -5.726 1.00 0.00 C ATOM 1101 O LEU A 74 -18.150 -0.197 -5.747 1.00 0.00 O ATOM 1102 CB LEU A 74 -20.726 1.279 -4.916 1.00 0.00 C ATOM 1103 CG LEU A 74 -21.415 1.513 -6.263 1.00 0.00 C ATOM 1104 CD1 LEU A 74 -22.722 0.739 -6.337 1.00 0.00 C ATOM 1105 CD2 LEU A 74 -21.658 2.995 -6.482 1.00 0.00 C ATOM 0 H LEU A 74 -19.460 0.603 -2.888 1.00 0.00 H new ATOM 0 HA LEU A 74 -21.162 -0.814 -4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.404 1.588 -4.120 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -19.850 1.924 -4.857 1.00 0.00 H new ATOM 0 HG LEU A 74 -20.759 1.150 -7.054 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -23.197 0.918 -7.302 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -22.521 -0.326 -6.224 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.386 1.070 -5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -22.148 3.145 -7.444 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -22.295 3.381 -5.686 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -20.706 3.525 -6.474 1.00 0.00 H new ATOM 1117 N ALA A 75 -19.785 -1.489 -6.599 1.00 0.00 N ATOM 1118 CA ALA A 75 -18.984 -2.008 -7.694 1.00 0.00 C ATOM 1119 C ALA A 75 -19.393 -1.352 -9.011 1.00 0.00 C ATOM 1120 O ALA A 75 -20.359 -0.588 -9.055 1.00 0.00 O ATOM 1121 CB ALA A 75 -19.125 -3.520 -7.777 1.00 0.00 C ATOM 0 H ALA A 75 -20.736 -1.856 -6.568 1.00 0.00 H new ATOM 0 HA ALA A 75 -17.937 -1.770 -7.507 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -18.520 -3.897 -8.602 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -18.786 -3.969 -6.843 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -20.170 -3.779 -7.946 1.00 0.00 H new ATOM 1127 N LYS A 76 -18.684 -1.678 -10.088 1.00 0.00 N ATOM 1128 CA LYS A 76 -18.964 -1.105 -11.404 1.00 0.00 C ATOM 1129 C LYS A 76 -20.135 -1.820 -12.082 1.00 0.00 C ATOM 1130 O LYS A 76 -20.021 -2.283 -13.216 1.00 0.00 O ATOM 1131 CB LYS A 76 -17.717 -1.182 -12.291 1.00 0.00 C ATOM 1132 CG LYS A 76 -17.792 -0.307 -13.535 1.00 0.00 C ATOM 1133 CD LYS A 76 -16.735 -0.694 -14.557 1.00 0.00 C ATOM 1134 CE LYS A 76 -17.001 -2.074 -15.145 1.00 0.00 C ATOM 1135 NZ LYS A 76 -18.250 -2.110 -15.954 1.00 0.00 N ATOM 0 H LYS A 76 -17.907 -2.339 -10.076 1.00 0.00 H new ATOM 0 HA LYS A 76 -19.240 -0.060 -11.264 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.847 -0.889 -11.704 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -17.562 -2.217 -12.595 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.782 -0.395 -13.983 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -17.661 0.738 -13.254 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.715 0.045 -15.358 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.752 -0.682 -14.087 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -16.158 -2.370 -15.769 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -17.072 -2.803 -14.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -18.232 -2.937 -16.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -19.072 -2.175 -15.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -18.320 -1.243 -16.524 1.00 0.00 H new ATOM 1149 N HIS A 77 -21.251 -1.919 -11.366 1.00 0.00 N ATOM 1150 CA HIS A 77 -22.459 -2.565 -11.884 1.00 0.00 C ATOM 1151 C HIS A 77 -23.602 -2.459 -10.881 1.00 0.00 C ATOM 1152 O HIS A 77 -24.466 -3.330 -10.820 1.00 0.00 O ATOM 1153 CB HIS A 77 -22.210 -4.040 -12.256 1.00 0.00 C ATOM 1154 CG HIS A 77 -21.514 -4.859 -11.207 1.00 0.00 C ATOM 1155 ND1 HIS A 77 -22.179 -5.544 -10.215 1.00 0.00 N ATOM 1156 CD2 HIS A 77 -20.199 -5.122 -11.021 1.00 0.00 C ATOM 1157 CE1 HIS A 77 -21.306 -6.190 -9.468 1.00 0.00 C ATOM 1158 NE2 HIS A 77 -20.095 -5.953 -9.935 1.00 0.00 N ATOM 0 H HIS A 77 -21.347 -1.558 -10.417 1.00 0.00 H new ATOM 0 HA HIS A 77 -22.739 -2.037 -12.796 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -23.169 -4.507 -12.481 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -21.617 -4.072 -13.170 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -19.382 -4.746 -11.618 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -21.543 -6.810 -8.616 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -19.226 -6.326 -9.552 1.00 0.00 H new ATOM 1167 N GLY A 78 -23.599 -1.383 -10.098 1.00 0.00 N ATOM 1168 CA GLY A 78 -24.644 -1.168 -9.109 1.00 0.00 C ATOM 1169 C GLY A 78 -24.729 -2.270 -8.069 1.00 0.00 C ATOM 1170 O GLY A 78 -25.791 -2.510 -7.501 1.00 0.00 O ATOM 0 H GLY A 78 -22.888 -0.652 -10.131 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -24.467 -0.217 -8.606 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -25.604 -1.085 -9.618 1.00 0.00 H new ATOM 1174 N GLY A 79 -23.614 -2.938 -7.818 1.00 0.00 N ATOM 1175 CA GLY A 79 -23.601 -4.008 -6.842 1.00 0.00 C ATOM 1176 C GLY A 79 -22.889 -3.596 -5.576 1.00 0.00 C ATOM 1177 O GLY A 79 -21.999 -2.748 -5.620 1.00 0.00 O ATOM 0 H GLY A 79 -22.718 -2.759 -8.272 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -24.625 -4.299 -6.606 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -23.111 -4.884 -7.268 1.00 0.00 H new ATOM 1181 N TYR A 80 -23.270 -4.185 -4.453 1.00 0.00 N ATOM 1182 CA TYR A 80 -22.651 -3.851 -3.178 1.00 0.00 C ATOM 1183 C TYR A 80 -21.934 -5.054 -2.583 1.00 0.00 C ATOM 1184 O TYR A 80 -22.559 -5.935 -2.002 1.00 0.00 O ATOM 1185 CB TYR A 80 -23.702 -3.350 -2.193 1.00 0.00 C ATOM 1186 CG TYR A 80 -24.488 -2.156 -2.682 1.00 0.00 C ATOM 1187 CD1 TYR A 80 -23.965 -0.872 -2.603 1.00 0.00 C ATOM 1188 CD2 TYR A 80 -25.758 -2.317 -3.215 1.00 0.00 C ATOM 1189 CE1 TYR A 80 -24.688 0.218 -3.045 1.00 0.00 C ATOM 1190 CE2 TYR A 80 -26.488 -1.233 -3.657 1.00 0.00 C ATOM 1191 CZ TYR A 80 -25.950 0.031 -3.570 1.00 0.00 C ATOM 1192 OH TYR A 80 -26.679 1.112 -4.004 1.00 0.00 O ATOM 0 H TYR A 80 -24.001 -4.894 -4.397 1.00 0.00 H new ATOM 0 HA TYR A 80 -21.919 -3.064 -3.362 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -24.395 -4.162 -1.974 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -23.210 -3.089 -1.256 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -22.978 -0.724 -2.190 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -26.183 -3.307 -3.285 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -24.268 1.211 -2.980 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -27.476 -1.375 -4.069 1.00 0.00 H new ATOM 0 HH TYR A 80 -27.545 0.806 -4.346 1.00 0.00 H new ATOM 1202 N VAL A 81 -20.622 -5.090 -2.723 1.00 0.00 N ATOM 1203 CA VAL A 81 -19.835 -6.192 -2.189 1.00 0.00 C ATOM 1204 C VAL A 81 -19.549 -5.952 -0.712 1.00 0.00 C ATOM 1205 O VAL A 81 -19.037 -4.896 -0.340 1.00 0.00 O ATOM 1206 CB VAL A 81 -18.498 -6.371 -2.942 1.00 0.00 C ATOM 1207 CG1 VAL A 81 -18.110 -7.843 -2.993 1.00 0.00 C ATOM 1208 CG2 VAL A 81 -18.575 -5.785 -4.346 1.00 0.00 C ATOM 0 H VAL A 81 -20.077 -4.372 -3.200 1.00 0.00 H new ATOM 0 HA VAL A 81 -20.419 -7.103 -2.320 1.00 0.00 H new ATOM 0 HB VAL A 81 -17.727 -5.828 -2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.166 -7.952 -3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -18.000 -8.226 -1.978 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -18.887 -8.406 -3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -17.620 -5.926 -4.852 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -19.361 -6.289 -4.908 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -18.799 -4.720 -4.284 1.00 0.00 H new ATOM 1218 N TRP A 82 -19.899 -6.918 0.127 1.00 0.00 N ATOM 1219 CA TRP A 82 -19.681 -6.799 1.568 1.00 0.00 C ATOM 1220 C TRP A 82 -18.206 -6.998 1.914 1.00 0.00 C ATOM 1221 O TRP A 82 -17.744 -8.123 2.128 1.00 0.00 O ATOM 1222 CB TRP A 82 -20.552 -7.801 2.327 1.00 0.00 C ATOM 1223 CG TRP A 82 -21.979 -7.358 2.468 1.00 0.00 C ATOM 1224 CD1 TRP A 82 -23.006 -7.600 1.600 1.00 0.00 C ATOM 1225 CD2 TRP A 82 -22.535 -6.595 3.545 1.00 0.00 C ATOM 1226 NE1 TRP A 82 -24.164 -7.031 2.073 1.00 0.00 N ATOM 1227 CE2 TRP A 82 -23.901 -6.410 3.264 1.00 0.00 C ATOM 1228 CE3 TRP A 82 -22.012 -6.049 4.720 1.00 0.00 C ATOM 1229 CZ2 TRP A 82 -24.748 -5.702 4.114 1.00 0.00 C ATOM 1230 CZ3 TRP A 82 -22.854 -5.349 5.563 1.00 0.00 C ATOM 1231 CH2 TRP A 82 -24.209 -5.182 5.256 1.00 0.00 C ATOM 0 H TRP A 82 -20.335 -7.793 -0.162 1.00 0.00 H new ATOM 0 HA TRP A 82 -19.967 -5.793 1.873 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -20.526 -8.760 1.810 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -20.129 -7.962 3.319 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -22.920 -8.156 0.678 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -25.073 -7.066 1.611 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -20.967 -6.172 4.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -25.794 -5.569 3.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -22.460 -4.924 6.474 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -24.841 -4.631 5.936 1.00 0.00 H new ATOM 1242 N LEU A 83 -17.480 -5.891 1.974 1.00 0.00 N ATOM 1243 CA LEU A 83 -16.050 -5.911 2.265 1.00 0.00 C ATOM 1244 C LEU A 83 -15.727 -5.176 3.560 1.00 0.00 C ATOM 1245 O LEU A 83 -16.514 -4.355 4.032 1.00 0.00 O ATOM 1246 CB LEU A 83 -15.277 -5.247 1.120 1.00 0.00 C ATOM 1247 CG LEU A 83 -14.658 -6.194 0.090 1.00 0.00 C ATOM 1248 CD1 LEU A 83 -15.726 -7.033 -0.594 1.00 0.00 C ATOM 1249 CD2 LEU A 83 -13.867 -5.401 -0.936 1.00 0.00 C ATOM 0 H LEU A 83 -17.861 -4.957 1.823 1.00 0.00 H new ATOM 0 HA LEU A 83 -15.754 -6.954 2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -15.951 -4.567 0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -14.481 -4.639 1.550 1.00 0.00 H new ATOM 0 HG LEU A 83 -13.983 -6.873 0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -15.257 -7.697 -1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.255 -7.627 0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -16.432 -6.378 -1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -13.430 -6.083 -1.665 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -14.530 -4.702 -1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -13.072 -4.848 -0.435 1.00 0.00 H new ATOM 1261 N GLU A 84 -14.570 -5.490 4.128 1.00 0.00 N ATOM 1262 CA GLU A 84 -14.094 -4.844 5.344 1.00 0.00 C ATOM 1263 C GLU A 84 -12.928 -3.942 4.970 1.00 0.00 C ATOM 1264 O GLU A 84 -12.330 -4.122 3.910 1.00 0.00 O ATOM 1265 CB GLU A 84 -13.653 -5.878 6.384 1.00 0.00 C ATOM 1266 CG GLU A 84 -14.705 -6.934 6.670 1.00 0.00 C ATOM 1267 CD GLU A 84 -14.541 -7.572 8.033 1.00 0.00 C ATOM 1268 OE1 GLU A 84 -14.875 -6.925 9.047 1.00 0.00 O ATOM 1269 OE2 GLU A 84 -14.082 -8.727 8.102 1.00 0.00 O ATOM 0 H GLU A 84 -13.936 -6.199 3.759 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.901 -4.262 5.789 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.743 -6.367 6.036 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.403 -5.364 7.312 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -15.695 -6.482 6.602 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.655 -7.707 5.904 1.00 0.00 H new ATOM 1276 N THR A 85 -12.592 -2.976 5.809 1.00 0.00 N ATOM 1277 CA THR A 85 -11.501 -2.073 5.478 1.00 0.00 C ATOM 1278 C THR A 85 -10.722 -1.597 6.701 1.00 0.00 C ATOM 1279 O THR A 85 -11.286 -1.054 7.647 1.00 0.00 O ATOM 1280 CB THR A 85 -12.025 -0.847 4.704 1.00 0.00 C ATOM 1281 OG1 THR A 85 -12.760 -1.282 3.556 1.00 0.00 O ATOM 1282 CG2 THR A 85 -10.884 0.055 4.257 1.00 0.00 C ATOM 0 H THR A 85 -13.047 -2.798 6.705 1.00 0.00 H new ATOM 0 HA THR A 85 -10.816 -2.648 4.855 1.00 0.00 H new ATOM 0 HB THR A 85 -12.672 -0.278 5.371 1.00 0.00 H new ATOM 0 HG1 THR A 85 -13.557 -0.722 3.447 1.00 0.00 H new ATOM 0 HG21 THR A 85 -11.287 0.910 3.714 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.334 0.406 5.130 1.00 0.00 H new ATOM 0 HG23 THR A 85 -10.212 -0.504 3.606 1.00 0.00 H new ATOM 1290 N GLN A 86 -9.416 -1.818 6.665 1.00 0.00 N ATOM 1291 CA GLN A 86 -8.532 -1.378 7.730 1.00 0.00 C ATOM 1292 C GLN A 86 -7.677 -0.230 7.213 1.00 0.00 C ATOM 1293 O GLN A 86 -6.749 -0.443 6.432 1.00 0.00 O ATOM 1294 CB GLN A 86 -7.634 -2.516 8.217 1.00 0.00 C ATOM 1295 CG GLN A 86 -6.816 -2.145 9.444 1.00 0.00 C ATOM 1296 CD GLN A 86 -5.714 -3.139 9.744 1.00 0.00 C ATOM 1297 OE1 GLN A 86 -5.936 -4.149 10.409 1.00 0.00 O ATOM 1298 NE2 GLN A 86 -4.513 -2.851 9.271 1.00 0.00 N ATOM 0 H GLN A 86 -8.944 -2.304 5.902 1.00 0.00 H new ATOM 0 HA GLN A 86 -9.137 -1.050 8.575 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.251 -3.385 8.448 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.959 -2.809 7.412 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -6.377 -1.158 9.296 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -7.478 -2.074 10.307 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.371 -2.002 8.723 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -3.729 -3.477 9.454 1.00 0.00 H new ATOM 1307 N GLY A 87 -8.002 0.978 7.633 1.00 0.00 N ATOM 1308 CA GLY A 87 -7.267 2.140 7.184 1.00 0.00 C ATOM 1309 C GLY A 87 -6.075 2.450 8.061 1.00 0.00 C ATOM 1310 O GLY A 87 -6.217 2.632 9.267 1.00 0.00 O ATOM 0 H GLY A 87 -8.765 1.177 8.280 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.928 1.978 6.161 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.934 3.002 7.166 1.00 0.00 H new ATOM 1314 N THR A 88 -4.899 2.485 7.456 1.00 0.00 N ATOM 1315 CA THR A 88 -3.670 2.790 8.171 1.00 0.00 C ATOM 1316 C THR A 88 -2.987 4.002 7.547 1.00 0.00 C ATOM 1317 O THR A 88 -2.531 3.946 6.404 1.00 0.00 O ATOM 1318 CB THR A 88 -2.707 1.591 8.151 1.00 0.00 C ATOM 1319 OG1 THR A 88 -3.424 0.395 8.490 1.00 0.00 O ATOM 1320 CG2 THR A 88 -1.558 1.800 9.126 1.00 0.00 C ATOM 0 H THR A 88 -4.769 2.304 6.461 1.00 0.00 H new ATOM 0 HA THR A 88 -3.929 3.010 9.207 1.00 0.00 H new ATOM 0 HB THR A 88 -2.290 1.497 7.148 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.991 -0.377 8.069 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.891 0.938 9.093 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.005 2.698 8.849 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.953 1.914 10.135 1.00 0.00 H new ATOM 1328 N VAL A 89 -2.927 5.094 8.289 1.00 0.00 N ATOM 1329 CA VAL A 89 -2.316 6.317 7.793 1.00 0.00 C ATOM 1330 C VAL A 89 -0.797 6.276 7.933 1.00 0.00 C ATOM 1331 O VAL A 89 -0.267 6.047 9.023 1.00 0.00 O ATOM 1332 CB VAL A 89 -2.850 7.562 8.532 1.00 0.00 C ATOM 1333 CG1 VAL A 89 -2.373 8.838 7.853 1.00 0.00 C ATOM 1334 CG2 VAL A 89 -4.368 7.532 8.618 1.00 0.00 C ATOM 0 H VAL A 89 -3.294 5.160 9.238 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.581 6.388 6.738 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.454 7.548 9.547 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.761 9.703 8.391 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.283 8.867 7.857 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.732 8.859 6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.720 8.420 9.143 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.789 7.514 7.613 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.684 6.641 9.160 1.00 0.00 H new ATOM 1344 N ILE A 90 -0.107 6.489 6.822 1.00 0.00 N ATOM 1345 CA ILE A 90 1.347 6.505 6.810 1.00 0.00 C ATOM 1346 C ILE A 90 1.832 7.952 6.835 1.00 0.00 C ATOM 1347 O ILE A 90 1.234 8.828 6.200 1.00 0.00 O ATOM 1348 CB ILE A 90 1.921 5.756 5.581 1.00 0.00 C ATOM 1349 CG1 ILE A 90 3.443 5.630 5.692 1.00 0.00 C ATOM 1350 CG2 ILE A 90 1.534 6.448 4.279 1.00 0.00 C ATOM 1351 CD1 ILE A 90 4.063 4.808 4.584 1.00 0.00 C ATOM 0 H ILE A 90 -0.535 6.654 5.911 1.00 0.00 H new ATOM 0 HA ILE A 90 1.706 5.982 7.696 1.00 0.00 H new ATOM 0 HB ILE A 90 1.488 4.756 5.567 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.884 6.627 5.684 1.00 0.00 H new ATOM 0 HG13 ILE A 90 3.693 5.179 6.652 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.952 5.898 3.436 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.448 6.476 4.191 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.925 7.466 4.278 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.143 4.761 4.726 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.650 3.799 4.605 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.844 5.270 3.622 1.00 0.00 H new ATOM 1363 N TYR A 91 2.893 8.210 7.579 1.00 0.00 N ATOM 1364 CA TYR A 91 3.421 9.558 7.700 1.00 0.00 C ATOM 1365 C TYR A 91 4.722 9.711 6.927 1.00 0.00 C ATOM 1366 O TYR A 91 5.476 8.752 6.761 1.00 0.00 O ATOM 1367 CB TYR A 91 3.649 9.903 9.174 1.00 0.00 C ATOM 1368 CG TYR A 91 2.455 9.619 10.059 1.00 0.00 C ATOM 1369 CD1 TYR A 91 1.474 10.578 10.260 1.00 0.00 C ATOM 1370 CD2 TYR A 91 2.309 8.390 10.692 1.00 0.00 C ATOM 1371 CE1 TYR A 91 0.381 10.324 11.065 1.00 0.00 C ATOM 1372 CE2 TYR A 91 1.219 8.129 11.499 1.00 0.00 C ATOM 1373 CZ TYR A 91 0.258 9.098 11.682 1.00 0.00 C ATOM 1374 OH TYR A 91 -0.827 8.843 12.491 1.00 0.00 O ATOM 0 H TYR A 91 3.406 7.505 8.108 1.00 0.00 H new ATOM 0 HA TYR A 91 2.689 10.245 7.276 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.505 9.337 9.542 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.906 10.959 9.255 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.566 11.540 9.779 1.00 0.00 H new ATOM 0 HD2 TYR A 91 3.060 7.627 10.550 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -0.374 11.083 11.210 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.121 7.169 11.984 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.762 7.932 12.848 1.00 0.00 H new ATOM 1384 N ASN A 92 4.969 10.919 6.442 1.00 0.00 N ATOM 1385 CA ASN A 92 6.188 11.213 5.700 1.00 0.00 C ATOM 1386 C ASN A 92 7.297 11.586 6.680 1.00 0.00 C ATOM 1387 O ASN A 92 7.172 12.556 7.423 1.00 0.00 O ATOM 1388 CB ASN A 92 5.945 12.347 4.696 1.00 0.00 C ATOM 1389 CG ASN A 92 7.112 12.573 3.745 1.00 0.00 C ATOM 1390 OD1 ASN A 92 8.278 12.437 4.115 1.00 0.00 O ATOM 1391 ND2 ASN A 92 6.801 12.925 2.511 1.00 0.00 N ATOM 0 H ASN A 92 4.340 11.714 6.549 1.00 0.00 H new ATOM 0 HA ASN A 92 6.491 10.329 5.139 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.051 12.122 4.115 1.00 0.00 H new ATOM 0 HB3 ASN A 92 5.747 13.269 5.242 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.539 13.094 1.828 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.823 13.028 2.241 1.00 0.00 H new ATOM 1398 N PRO A 93 8.400 10.824 6.684 1.00 0.00 N ATOM 1399 CA PRO A 93 9.534 11.051 7.596 1.00 0.00 C ATOM 1400 C PRO A 93 10.222 12.402 7.391 1.00 0.00 C ATOM 1401 O PRO A 93 10.905 12.900 8.286 1.00 0.00 O ATOM 1402 CB PRO A 93 10.504 9.913 7.254 1.00 0.00 C ATOM 1403 CG PRO A 93 10.122 9.481 5.881 1.00 0.00 C ATOM 1404 CD PRO A 93 8.638 9.676 5.793 1.00 0.00 C ATOM 0 HA PRO A 93 9.202 11.065 8.634 1.00 0.00 H new ATOM 0 HB2 PRO A 93 11.539 10.253 7.287 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.415 9.092 7.965 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.640 10.072 5.126 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.391 8.439 5.709 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.318 9.885 4.772 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.095 8.790 6.122 1.00 0.00 H new ATOM 1412 N ARG A 94 10.037 12.993 6.219 1.00 0.00 N ATOM 1413 CA ARG A 94 10.658 14.272 5.905 1.00 0.00 C ATOM 1414 C ARG A 94 9.640 15.413 5.958 1.00 0.00 C ATOM 1415 O ARG A 94 9.986 16.581 5.767 1.00 0.00 O ATOM 1416 CB ARG A 94 11.311 14.195 4.523 1.00 0.00 C ATOM 1417 CG ARG A 94 12.281 15.328 4.234 1.00 0.00 C ATOM 1418 CD ARG A 94 13.090 15.054 2.981 1.00 0.00 C ATOM 1419 NE ARG A 94 12.242 14.773 1.828 1.00 0.00 N ATOM 1420 CZ ARG A 94 12.565 13.917 0.859 1.00 0.00 C ATOM 1421 NH1 ARG A 94 13.712 13.251 0.917 1.00 0.00 N ATOM 1422 NH2 ARG A 94 11.737 13.725 -0.159 1.00 0.00 N ATOM 0 H ARG A 94 9.462 12.607 5.470 1.00 0.00 H new ATOM 0 HA ARG A 94 11.421 14.482 6.654 1.00 0.00 H new ATOM 0 HB2 ARG A 94 11.840 13.246 4.435 1.00 0.00 H new ATOM 0 HB3 ARG A 94 10.530 14.196 3.763 1.00 0.00 H new ATOM 0 HG2 ARG A 94 11.729 16.261 4.117 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.953 15.460 5.082 1.00 0.00 H new ATOM 0 HD2 ARG A 94 13.722 15.915 2.764 1.00 0.00 H new ATOM 0 HD3 ARG A 94 13.753 14.207 3.157 1.00 0.00 H new ATOM 0 HE ARG A 94 11.349 15.261 1.759 1.00 0.00 H new ATOM 0 HH11 ARG A 94 14.346 13.394 1.703 1.00 0.00 H new ATOM 0 HH12 ARG A 94 13.959 12.596 0.175 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.853 14.232 -0.200 1.00 0.00 H new ATOM 0 HH22 ARG A 94 11.984 13.070 -0.901 1.00 0.00 H new ATOM 1436 N ASN A 95 8.387 15.081 6.230 1.00 0.00 N ATOM 1437 CA ASN A 95 7.339 16.095 6.300 1.00 0.00 C ATOM 1438 C ASN A 95 6.691 16.131 7.678 1.00 0.00 C ATOM 1439 O ASN A 95 6.070 17.126 8.046 1.00 0.00 O ATOM 1440 CB ASN A 95 6.282 15.856 5.221 1.00 0.00 C ATOM 1441 CG ASN A 95 6.519 16.714 3.992 1.00 0.00 C ATOM 1442 OD1 ASN A 95 7.328 16.374 3.126 1.00 0.00 O ATOM 1443 ND2 ASN A 95 5.818 17.832 3.906 1.00 0.00 N ATOM 0 H ASN A 95 8.070 14.127 6.405 1.00 0.00 H new ATOM 0 HA ASN A 95 7.806 17.064 6.123 1.00 0.00 H new ATOM 0 HB2 ASN A 95 6.287 14.804 4.935 1.00 0.00 H new ATOM 0 HB3 ASN A 95 5.294 16.071 5.628 1.00 0.00 H new ATOM 0 HD21 ASN A 95 5.937 18.448 3.102 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.158 18.078 4.644 1.00 0.00 H new ATOM 1450 N LEU A 96 6.835 15.037 8.423 1.00 0.00 N ATOM 1451 CA LEU A 96 6.286 14.922 9.777 1.00 0.00 C ATOM 1452 C LEU A 96 4.779 15.175 9.792 1.00 0.00 C ATOM 1453 O LEU A 96 4.270 15.946 10.609 1.00 0.00 O ATOM 1454 CB LEU A 96 6.995 15.893 10.730 1.00 0.00 C ATOM 1455 CG LEU A 96 8.526 15.839 10.701 1.00 0.00 C ATOM 1456 CD1 LEU A 96 9.115 16.897 11.621 1.00 0.00 C ATOM 1457 CD2 LEU A 96 9.025 14.455 11.093 1.00 0.00 C ATOM 0 H LEU A 96 7.334 14.205 8.108 1.00 0.00 H new ATOM 0 HA LEU A 96 6.460 13.901 10.118 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.679 16.908 10.489 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.660 15.688 11.747 1.00 0.00 H new ATOM 0 HG LEU A 96 8.854 16.045 9.682 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.203 16.843 11.587 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.790 17.885 11.294 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.775 16.722 12.642 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.115 14.440 11.066 1.00 0.00 H new ATOM 0 HD22 LEU A 96 8.684 14.217 12.101 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.634 13.716 10.394 1.00 0.00 H new ATOM 1469 N GLN A 97 4.068 14.522 8.884 1.00 0.00 N ATOM 1470 CA GLN A 97 2.623 14.671 8.788 1.00 0.00 C ATOM 1471 C GLN A 97 2.026 13.513 7.998 1.00 0.00 C ATOM 1472 O GLN A 97 2.745 12.827 7.262 1.00 0.00 O ATOM 1473 CB GLN A 97 2.255 16.008 8.125 1.00 0.00 C ATOM 1474 CG GLN A 97 2.779 16.166 6.705 1.00 0.00 C ATOM 1475 CD GLN A 97 2.143 17.334 5.972 1.00 0.00 C ATOM 1476 OE1 GLN A 97 1.717 18.316 6.585 1.00 0.00 O ATOM 1477 NE2 GLN A 97 2.073 17.237 4.655 1.00 0.00 N ATOM 0 H GLN A 97 4.471 13.881 8.200 1.00 0.00 H new ATOM 0 HA GLN A 97 2.211 14.662 9.797 1.00 0.00 H new ATOM 0 HB2 GLN A 97 1.170 16.108 8.113 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.643 16.823 8.736 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.860 16.306 6.734 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.591 15.248 6.149 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.437 16.408 4.185 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.655 17.991 4.110 1.00 0.00 H new ATOM 1486 N PRO A 98 0.715 13.261 8.167 1.00 0.00 N ATOM 1487 CA PRO A 98 0.013 12.191 7.450 1.00 0.00 C ATOM 1488 C PRO A 98 0.067 12.412 5.945 1.00 0.00 C ATOM 1489 O PRO A 98 -0.195 13.516 5.464 1.00 0.00 O ATOM 1490 CB PRO A 98 -1.431 12.296 7.955 1.00 0.00 C ATOM 1491 CG PRO A 98 -1.340 13.046 9.238 1.00 0.00 C ATOM 1492 CD PRO A 98 -0.186 13.988 9.082 1.00 0.00 C ATOM 0 HA PRO A 98 0.457 11.212 7.627 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -2.063 12.819 7.237 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -1.869 11.309 8.105 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -2.263 13.589 9.439 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -1.180 12.368 10.076 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -0.500 14.945 8.664 1.00 0.00 H new ATOM 0 HD3 PRO A 98 0.294 14.200 10.037 1.00 0.00 H new ATOM 1500 N GLN A 99 0.413 11.375 5.202 1.00 0.00 N ATOM 1501 CA GLN A 99 0.516 11.496 3.758 1.00 0.00 C ATOM 1502 C GLN A 99 -0.552 10.675 3.041 1.00 0.00 C ATOM 1503 O GLN A 99 -1.421 11.227 2.362 1.00 0.00 O ATOM 1504 CB GLN A 99 1.910 11.063 3.307 1.00 0.00 C ATOM 1505 CG GLN A 99 2.190 11.319 1.838 1.00 0.00 C ATOM 1506 CD GLN A 99 3.669 11.473 1.556 1.00 0.00 C ATOM 1507 OE1 GLN A 99 4.194 12.586 1.527 1.00 0.00 O ATOM 1508 NE2 GLN A 99 4.357 10.359 1.359 1.00 0.00 N ATOM 0 H GLN A 99 0.626 10.448 5.570 1.00 0.00 H new ATOM 0 HA GLN A 99 0.352 12.541 3.494 1.00 0.00 H new ATOM 0 HB2 GLN A 99 2.654 11.589 3.905 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.032 9.999 3.510 1.00 0.00 H new ATOM 0 HG2 GLN A 99 1.793 10.495 1.245 1.00 0.00 H new ATOM 0 HG3 GLN A 99 1.666 12.221 1.522 1.00 0.00 H new ATOM 0 HE21 GLN A 99 3.885 9.455 1.391 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.359 10.404 1.175 1.00 0.00 H new ATOM 1517 N CYS A 100 -0.494 9.361 3.200 1.00 0.00 N ATOM 1518 CA CYS A 100 -1.441 8.476 2.539 1.00 0.00 C ATOM 1519 C CYS A 100 -2.090 7.516 3.528 1.00 0.00 C ATOM 1520 O CYS A 100 -1.486 7.138 4.530 1.00 0.00 O ATOM 1521 CB CYS A 100 -0.726 7.679 1.445 1.00 0.00 C ATOM 1522 SG CYS A 100 0.397 8.664 0.425 1.00 0.00 S ATOM 0 H CYS A 100 0.197 8.885 3.780 1.00 0.00 H new ATOM 0 HA CYS A 100 -2.225 9.091 2.098 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -0.162 6.870 1.910 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -1.473 7.217 0.800 1.00 0.00 H new ATOM 0 HG CYS A 100 1.625 8.312 0.667 1.00 0.00 H new ATOM 1528 N ILE A 101 -3.322 7.133 3.241 1.00 0.00 N ATOM 1529 CA ILE A 101 -4.055 6.203 4.082 1.00 0.00 C ATOM 1530 C ILE A 101 -4.188 4.857 3.380 1.00 0.00 C ATOM 1531 O ILE A 101 -4.875 4.739 2.361 1.00 0.00 O ATOM 1532 CB ILE A 101 -5.462 6.734 4.435 1.00 0.00 C ATOM 1533 CG1 ILE A 101 -5.369 8.126 5.066 1.00 0.00 C ATOM 1534 CG2 ILE A 101 -6.169 5.770 5.376 1.00 0.00 C ATOM 1535 CD1 ILE A 101 -6.715 8.782 5.293 1.00 0.00 C ATOM 0 H ILE A 101 -3.840 7.456 2.424 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.492 6.088 5.008 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.043 6.812 3.516 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -4.847 8.049 6.020 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -4.766 8.767 4.423 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -7.159 6.157 5.616 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.266 4.797 4.894 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.588 5.665 6.292 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -6.570 9.764 5.742 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -7.232 8.892 4.340 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -7.314 8.162 5.961 1.00 0.00 H new ATOM 1547 N MET A 102 -3.514 3.852 3.916 1.00 0.00 N ATOM 1548 CA MET A 102 -3.555 2.513 3.351 1.00 0.00 C ATOM 1549 C MET A 102 -4.828 1.810 3.801 1.00 0.00 C ATOM 1550 O MET A 102 -4.911 1.327 4.929 1.00 0.00 O ATOM 1551 CB MET A 102 -2.331 1.704 3.796 1.00 0.00 C ATOM 1552 CG MET A 102 -1.005 2.428 3.608 1.00 0.00 C ATOM 1553 SD MET A 102 -0.354 2.282 1.932 1.00 0.00 S ATOM 1554 CE MET A 102 0.193 0.575 1.932 1.00 0.00 C ATOM 0 H MET A 102 -2.929 3.940 4.747 1.00 0.00 H new ATOM 0 HA MET A 102 -3.544 2.589 2.264 1.00 0.00 H new ATOM 0 HB2 MET A 102 -2.444 1.443 4.848 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.304 0.769 3.237 1.00 0.00 H new ATOM 0 HG2 MET A 102 -1.136 3.483 3.851 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.275 2.027 4.312 1.00 0.00 H new ATOM 0 HE1 MET A 102 1.261 0.535 1.718 1.00 0.00 H new ATOM 0 HE2 MET A 102 0.002 0.132 2.909 1.00 0.00 H new ATOM 0 HE3 MET A 102 -0.351 0.019 1.169 1.00 0.00 H new ATOM 1564 N CYS A 103 -5.824 1.783 2.934 1.00 0.00 N ATOM 1565 CA CYS A 103 -7.089 1.144 3.254 1.00 0.00 C ATOM 1566 C CYS A 103 -7.090 -0.308 2.788 1.00 0.00 C ATOM 1567 O CYS A 103 -7.279 -0.596 1.603 1.00 0.00 O ATOM 1568 CB CYS A 103 -8.246 1.917 2.616 1.00 0.00 C ATOM 1569 SG CYS A 103 -8.134 3.710 2.831 1.00 0.00 S ATOM 0 H CYS A 103 -5.782 2.196 2.002 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.220 1.152 4.336 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -8.278 1.690 1.550 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -9.185 1.567 3.045 1.00 0.00 H new ATOM 0 HG CYS A 103 -6.904 4.092 2.655 1.00 0.00 H new ATOM 1575 N VAL A 104 -6.843 -1.214 3.724 1.00 0.00 N ATOM 1576 CA VAL A 104 -6.826 -2.639 3.429 1.00 0.00 C ATOM 1577 C VAL A 104 -8.253 -3.159 3.294 1.00 0.00 C ATOM 1578 O VAL A 104 -8.994 -3.202 4.272 1.00 0.00 O ATOM 1579 CB VAL A 104 -6.097 -3.435 4.534 1.00 0.00 C ATOM 1580 CG1 VAL A 104 -5.989 -4.905 4.160 1.00 0.00 C ATOM 1581 CG2 VAL A 104 -4.722 -2.843 4.802 1.00 0.00 C ATOM 0 H VAL A 104 -6.651 -0.985 4.699 1.00 0.00 H new ATOM 0 HA VAL A 104 -6.288 -2.778 2.491 1.00 0.00 H new ATOM 0 HB VAL A 104 -6.684 -3.363 5.450 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.472 -5.445 4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.988 -5.321 4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.430 -5.004 3.230 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -4.224 -3.418 5.583 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.126 -2.879 3.890 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.828 -1.807 5.125 1.00 0.00 H new ATOM 1591 N ASN A 105 -8.640 -3.535 2.084 1.00 0.00 N ATOM 1592 CA ASN A 105 -9.988 -4.034 1.842 1.00 0.00 C ATOM 1593 C ASN A 105 -10.018 -5.555 1.860 1.00 0.00 C ATOM 1594 O ASN A 105 -9.382 -6.213 1.034 1.00 0.00 O ATOM 1595 CB ASN A 105 -10.522 -3.516 0.509 1.00 0.00 C ATOM 1596 CG ASN A 105 -11.456 -2.334 0.682 1.00 0.00 C ATOM 1597 OD1 ASN A 105 -12.670 -2.496 0.761 1.00 0.00 O ATOM 1598 ND2 ASN A 105 -10.894 -1.136 0.746 1.00 0.00 N ATOM 0 H ASN A 105 -8.044 -3.505 1.257 1.00 0.00 H new ATOM 0 HA ASN A 105 -10.628 -3.667 2.644 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -9.685 -3.225 -0.126 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -11.049 -4.320 -0.006 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -11.475 -0.306 0.865 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -9.881 -1.044 0.676 1.00 0.00 H new ATOM 1605 N TYR A 106 -10.766 -6.101 2.805 1.00 0.00 N ATOM 1606 CA TYR A 106 -10.891 -7.539 2.961 1.00 0.00 C ATOM 1607 C TYR A 106 -12.162 -8.044 2.283 1.00 0.00 C ATOM 1608 O TYR A 106 -13.272 -7.687 2.687 1.00 0.00 O ATOM 1609 CB TYR A 106 -10.918 -7.903 4.448 1.00 0.00 C ATOM 1610 CG TYR A 106 -9.603 -7.687 5.170 1.00 0.00 C ATOM 1611 CD1 TYR A 106 -8.527 -8.535 4.951 1.00 0.00 C ATOM 1612 CD2 TYR A 106 -9.443 -6.647 6.078 1.00 0.00 C ATOM 1613 CE1 TYR A 106 -7.329 -8.358 5.613 1.00 0.00 C ATOM 1614 CE2 TYR A 106 -8.243 -6.461 6.745 1.00 0.00 C ATOM 1615 CZ TYR A 106 -7.190 -7.322 6.508 1.00 0.00 C ATOM 1616 OH TYR A 106 -5.993 -7.145 7.169 1.00 0.00 O ATOM 0 H TYR A 106 -11.302 -5.560 3.484 1.00 0.00 H new ATOM 0 HA TYR A 106 -10.031 -8.014 2.489 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -11.690 -7.312 4.940 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -11.206 -8.950 4.548 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.629 -9.349 4.249 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -10.266 -5.974 6.266 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -6.504 -9.030 5.429 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -8.132 -5.647 7.446 1.00 0.00 H new ATOM 0 HH TYR A 106 -5.356 -7.833 6.883 1.00 0.00 H new ATOM 1626 N VAL A 107 -12.000 -8.869 1.257 1.00 0.00 N ATOM 1627 CA VAL A 107 -13.136 -9.418 0.526 1.00 0.00 C ATOM 1628 C VAL A 107 -13.622 -10.705 1.180 1.00 0.00 C ATOM 1629 O VAL A 107 -12.887 -11.690 1.249 1.00 0.00 O ATOM 1630 CB VAL A 107 -12.773 -9.706 -0.945 1.00 0.00 C ATOM 1631 CG1 VAL A 107 -13.999 -10.139 -1.734 1.00 0.00 C ATOM 1632 CG2 VAL A 107 -12.127 -8.488 -1.587 1.00 0.00 C ATOM 0 H VAL A 107 -11.090 -9.174 0.911 1.00 0.00 H new ATOM 0 HA VAL A 107 -13.929 -8.671 0.552 1.00 0.00 H new ATOM 0 HB VAL A 107 -12.054 -10.525 -0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -13.715 -10.336 -2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -14.414 -11.045 -1.293 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -14.747 -9.347 -1.708 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -11.879 -8.712 -2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -12.821 -7.648 -1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -11.218 -8.230 -1.044 1.00 0.00 H new ATOM 1642 N LEU A 108 -14.858 -10.694 1.660 1.00 0.00 N ATOM 1643 CA LEU A 108 -15.427 -11.863 2.315 1.00 0.00 C ATOM 1644 C LEU A 108 -16.685 -12.339 1.601 1.00 0.00 C ATOM 1645 O LEU A 108 -16.637 -13.270 0.796 1.00 0.00 O ATOM 1646 CB LEU A 108 -15.744 -11.552 3.780 1.00 0.00 C ATOM 1647 CG LEU A 108 -14.529 -11.444 4.697 1.00 0.00 C ATOM 1648 CD1 LEU A 108 -14.965 -11.095 6.108 1.00 0.00 C ATOM 1649 CD2 LEU A 108 -13.746 -12.746 4.692 1.00 0.00 C ATOM 0 H LEU A 108 -15.484 -9.891 1.608 1.00 0.00 H new ATOM 0 HA LEU A 108 -14.687 -12.662 2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -16.298 -10.614 3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -16.403 -12.330 4.166 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.882 -10.649 4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -14.089 -11.021 6.752 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -15.491 -10.141 6.101 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -15.629 -11.872 6.487 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.882 -12.654 5.351 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -14.385 -13.556 5.043 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -13.408 -12.963 3.679 1.00 0.00 H new ATOM 1661 N SER A 109 -17.804 -11.684 1.882 1.00 0.00 N ATOM 1662 CA SER A 109 -19.078 -12.050 1.281 1.00 0.00 C ATOM 1663 C SER A 109 -19.121 -11.674 -0.196 1.00 0.00 C ATOM 1664 O SER A 109 -18.206 -11.030 -0.717 1.00 0.00 O ATOM 1665 CB SER A 109 -20.222 -11.370 2.032 1.00 0.00 C ATOM 1666 OG SER A 109 -20.068 -11.525 3.434 1.00 0.00 O ATOM 0 H SER A 109 -17.854 -10.894 2.525 1.00 0.00 H new ATOM 0 HA SER A 109 -19.191 -13.132 1.355 1.00 0.00 H new ATOM 0 HB2 SER A 109 -20.249 -10.310 1.780 1.00 0.00 H new ATOM 0 HB3 SER A 109 -21.174 -11.797 1.717 1.00 0.00 H new ATOM 0 HG SER A 109 -20.810 -11.081 3.896 1.00 0.00 H new ATOM 1672 N GLU A 110 -20.190 -12.085 -0.864 1.00 0.00 N ATOM 1673 CA GLU A 110 -20.364 -11.812 -2.281 1.00 0.00 C ATOM 1674 C GLU A 110 -20.930 -10.412 -2.515 1.00 0.00 C ATOM 1675 O GLU A 110 -20.942 -9.569 -1.613 1.00 0.00 O ATOM 1676 CB GLU A 110 -21.284 -12.860 -2.916 1.00 0.00 C ATOM 1677 CG GLU A 110 -22.616 -13.032 -2.201 1.00 0.00 C ATOM 1678 CD GLU A 110 -22.535 -14.038 -1.076 1.00 0.00 C ATOM 1679 OE1 GLU A 110 -22.694 -15.245 -1.346 1.00 0.00 O ATOM 1680 OE2 GLU A 110 -22.296 -13.627 0.077 1.00 0.00 O ATOM 0 H GLU A 110 -20.954 -12.613 -0.442 1.00 0.00 H new ATOM 0 HA GLU A 110 -19.382 -11.863 -2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -21.474 -12.581 -3.953 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -20.767 -13.819 -2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -22.940 -12.070 -1.803 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -23.373 -13.351 -2.918 1.00 0.00 H new ATOM 1687 N ILE A 111 -21.396 -10.177 -3.734 1.00 0.00 N ATOM 1688 CA ILE A 111 -21.955 -8.890 -4.111 1.00 0.00 C ATOM 1689 C ILE A 111 -23.466 -8.871 -3.909 1.00 0.00 C ATOM 1690 O ILE A 111 -24.183 -9.731 -4.425 1.00 0.00 O ATOM 1691 CB ILE A 111 -21.643 -8.559 -5.586 1.00 0.00 C ATOM 1692 CG1 ILE A 111 -20.183 -8.891 -5.906 1.00 0.00 C ATOM 1693 CG2 ILE A 111 -21.934 -7.094 -5.878 1.00 0.00 C ATOM 1694 CD1 ILE A 111 -19.852 -8.813 -7.377 1.00 0.00 C ATOM 0 H ILE A 111 -21.397 -10.869 -4.483 1.00 0.00 H new ATOM 0 HA ILE A 111 -21.494 -8.139 -3.469 1.00 0.00 H new ATOM 0 HB ILE A 111 -22.285 -9.168 -6.222 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -19.535 -8.205 -5.360 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -19.960 -9.895 -5.545 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -21.708 -6.879 -6.922 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -22.986 -6.886 -5.684 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -21.316 -6.465 -5.237 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -18.801 -9.061 -7.527 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -20.474 -9.519 -7.928 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -20.042 -7.803 -7.740 1.00 0.00 H new ATOM 1706 N GLU A 112 -23.935 -7.894 -3.151 1.00 0.00 N ATOM 1707 CA GLU A 112 -25.351 -7.732 -2.878 1.00 0.00 C ATOM 1708 C GLU A 112 -26.023 -7.017 -4.049 1.00 0.00 C ATOM 1709 O GLU A 112 -25.546 -5.927 -4.442 1.00 0.00 O ATOM 1710 CB GLU A 112 -25.546 -6.943 -1.580 1.00 0.00 C ATOM 1711 CG GLU A 112 -26.979 -6.910 -1.083 1.00 0.00 C ATOM 1712 CD GLU A 112 -27.098 -6.264 0.282 1.00 0.00 C ATOM 1713 OE1 GLU A 112 -26.753 -6.919 1.287 1.00 0.00 O ATOM 1714 OE2 GLU A 112 -27.532 -5.096 0.359 1.00 0.00 O ATOM 1715 OXT GLU A 112 -27.005 -7.559 -4.595 1.00 0.00 O ATOM 0 H GLU A 112 -23.343 -7.191 -2.708 1.00 0.00 H new ATOM 0 HA GLU A 112 -25.811 -8.713 -2.758 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -24.914 -7.377 -0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -25.203 -5.920 -1.735 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -27.596 -6.364 -1.796 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -27.369 -7.927 -1.037 1.00 0.00 H new ATOM 1723 N CYS B 7 8.294 12.357 -13.174 1.00 1.33 N ATOM 1724 CA CYS B 7 7.705 13.427 -12.337 1.00 1.38 C ATOM 1725 C CYS B 7 6.691 12.841 -11.366 1.00 1.15 C ATOM 1726 O CYS B 7 5.522 12.659 -11.710 1.00 1.28 O ATOM 1727 CB CYS B 7 7.033 14.478 -13.221 1.00 1.79 C ATOM 1728 SG CYS B 7 8.161 15.308 -14.362 1.00 2.58 S ATOM 0 HA CYS B 7 8.504 13.901 -11.767 1.00 1.38 H new ATOM 0 HB2 CYS B 7 6.238 14.001 -13.795 1.00 1.79 H new ATOM 0 HB3 CYS B 7 6.561 15.226 -12.584 1.00 1.79 H new ATOM 0 HG CYS B 7 7.501 16.177 -15.069 1.00 2.58 H new ATOM 1736 N GLN B 8 7.140 12.534 -10.159 1.00 0.90 N ATOM 1737 CA GLN B 8 6.271 11.960 -9.144 1.00 0.76 C ATOM 1738 C GLN B 8 6.889 12.138 -7.758 1.00 0.65 C ATOM 1739 O GLN B 8 8.056 12.516 -7.646 1.00 0.64 O ATOM 1740 CB GLN B 8 6.022 10.474 -9.444 1.00 0.71 C ATOM 1741 CG GLN B 8 7.285 9.626 -9.489 1.00 0.89 C ATOM 1742 CD GLN B 8 7.742 9.325 -10.902 1.00 1.17 C ATOM 1743 OE1 GLN B 8 8.577 10.032 -11.461 1.00 1.79 O ATOM 1744 NE2 GLN B 8 7.186 8.278 -11.494 1.00 1.90 N ATOM 0 H GLN B 8 8.105 12.673 -9.858 1.00 0.90 H new ATOM 0 HA GLN B 8 5.313 12.480 -9.160 1.00 0.76 H new ATOM 0 HB2 GLN B 8 5.353 10.069 -8.685 1.00 0.71 H new ATOM 0 HB3 GLN B 8 5.507 10.389 -10.401 1.00 0.71 H new ATOM 0 HG2 GLN B 8 8.083 10.143 -8.957 1.00 0.89 H new ATOM 0 HG3 GLN B 8 7.106 8.688 -8.963 1.00 0.89 H new ATOM 0 HE21 GLN B 8 6.496 7.716 -10.995 1.00 1.90 H new ATOM 0 HE22 GLN B 8 7.448 8.034 -12.449 1.00 1.90 H new ATOM 1753 N PRO B 9 6.112 11.911 -6.683 1.00 0.64 N ATOM 1754 CA PRO B 9 6.609 12.039 -5.308 1.00 0.56 C ATOM 1755 C PRO B 9 7.698 11.015 -4.984 1.00 0.44 C ATOM 1756 O PRO B 9 7.832 9.994 -5.661 1.00 0.38 O ATOM 1757 CB PRO B 9 5.367 11.784 -4.442 1.00 0.61 C ATOM 1758 CG PRO B 9 4.206 11.969 -5.356 1.00 0.75 C ATOM 1759 CD PRO B 9 4.687 11.547 -6.712 1.00 0.77 C ATOM 0 HA PRO B 9 7.069 13.013 -5.138 1.00 0.56 H new ATOM 0 HB2 PRO B 9 5.380 10.778 -4.022 1.00 0.61 H new ATOM 0 HB3 PRO B 9 5.322 12.479 -3.604 1.00 0.61 H new ATOM 0 HG2 PRO B 9 3.356 11.366 -5.037 1.00 0.75 H new ATOM 0 HG3 PRO B 9 3.875 13.007 -5.363 1.00 0.75 H new ATOM 0 HD2 PRO B 9 4.546 10.479 -6.876 1.00 0.77 H new ATOM 0 HD3 PRO B 9 4.154 12.065 -7.509 1.00 0.77 H new ATOM 1767 N THR B 10 8.460 11.285 -3.932 1.00 0.43 N ATOM 1768 CA THR B 10 9.539 10.399 -3.517 1.00 0.37 C ATOM 1769 C THR B 10 9.026 9.296 -2.591 1.00 0.31 C ATOM 1770 O THR B 10 9.618 9.014 -1.545 1.00 0.39 O ATOM 1771 CB THR B 10 10.653 11.189 -2.806 1.00 0.46 C ATOM 1772 OG1 THR B 10 10.339 12.590 -2.804 1.00 0.88 O ATOM 1773 CG2 THR B 10 11.989 10.967 -3.489 1.00 0.62 C ATOM 0 H THR B 10 8.350 12.114 -3.349 1.00 0.43 H new ATOM 0 HA THR B 10 9.945 9.939 -4.418 1.00 0.37 H new ATOM 0 HB THR B 10 10.722 10.832 -1.778 1.00 0.46 H new ATOM 0 HG1 THR B 10 11.169 13.111 -2.811 1.00 0.88 H new ATOM 0 HG21 THR B 10 12.762 11.534 -2.970 1.00 0.62 H new ATOM 0 HG22 THR B 10 12.239 9.906 -3.463 1.00 0.62 H new ATOM 0 HG23 THR B 10 11.928 11.300 -4.525 1.00 0.62 H new ATOM 1781 N GLU B 11 7.933 8.665 -2.996 1.00 0.30 N ATOM 1782 CA GLU B 11 7.319 7.600 -2.218 1.00 0.31 C ATOM 1783 C GLU B 11 6.483 6.704 -3.130 1.00 0.27 C ATOM 1784 O GLU B 11 5.706 7.196 -3.948 1.00 0.31 O ATOM 1785 CB GLU B 11 6.441 8.201 -1.115 1.00 0.45 C ATOM 1786 CG GLU B 11 5.685 7.170 -0.294 1.00 1.13 C ATOM 1787 CD GLU B 11 4.235 7.552 -0.078 1.00 1.36 C ATOM 1788 OE1 GLU B 11 3.545 7.866 -1.066 1.00 1.65 O ATOM 1789 OE2 GLU B 11 3.770 7.527 1.080 1.00 1.83 O ATOM 0 H GLU B 11 7.449 8.876 -3.869 1.00 0.30 H new ATOM 0 HA GLU B 11 8.101 6.998 -1.756 1.00 0.31 H new ATOM 0 HB2 GLU B 11 7.068 8.792 -0.448 1.00 0.45 H new ATOM 0 HB3 GLU B 11 5.724 8.885 -1.568 1.00 0.45 H new ATOM 0 HG2 GLU B 11 5.732 6.204 -0.797 1.00 1.13 H new ATOM 0 HG3 GLU B 11 6.174 7.050 0.673 1.00 1.13 H new ATOM 1796 N PHE B 12 6.658 5.395 -3.001 1.00 0.30 N ATOM 1797 CA PHE B 12 5.909 4.442 -3.812 1.00 0.30 C ATOM 1798 C PHE B 12 5.738 3.125 -3.068 1.00 0.27 C ATOM 1799 O PHE B 12 6.498 2.815 -2.146 1.00 0.33 O ATOM 1800 CB PHE B 12 6.597 4.210 -5.167 1.00 0.35 C ATOM 1801 CG PHE B 12 7.875 3.418 -5.100 1.00 0.34 C ATOM 1802 CD1 PHE B 12 9.045 3.999 -4.641 1.00 0.39 C ATOM 1803 CD2 PHE B 12 7.907 2.094 -5.510 1.00 0.42 C ATOM 1804 CE1 PHE B 12 10.221 3.276 -4.588 1.00 0.42 C ATOM 1805 CE2 PHE B 12 9.082 1.366 -5.460 1.00 0.45 C ATOM 1806 CZ PHE B 12 10.239 1.958 -4.998 1.00 0.40 C ATOM 0 H PHE B 12 7.311 4.969 -2.344 1.00 0.30 H new ATOM 0 HA PHE B 12 4.922 4.864 -4.002 1.00 0.30 H new ATOM 0 HB2 PHE B 12 5.901 3.694 -5.828 1.00 0.35 H new ATOM 0 HB3 PHE B 12 6.810 5.178 -5.621 1.00 0.35 H new ATOM 0 HD1 PHE B 12 9.038 5.030 -4.320 1.00 0.39 H new ATOM 0 HD2 PHE B 12 7.004 1.626 -5.873 1.00 0.42 H new ATOM 0 HE1 PHE B 12 11.126 3.742 -4.226 1.00 0.42 H new ATOM 0 HE2 PHE B 12 9.094 0.335 -5.782 1.00 0.45 H new ATOM 0 HZ PHE B 12 11.157 1.391 -4.957 1.00 0.40 H new ATOM 1816 N ILE B 13 4.740 2.355 -3.470 1.00 0.27 N ATOM 1817 CA ILE B 13 4.461 1.073 -2.841 1.00 0.27 C ATOM 1818 C ILE B 13 5.005 -0.079 -3.681 1.00 0.29 C ATOM 1819 O ILE B 13 4.502 -0.374 -4.766 1.00 0.35 O ATOM 1820 CB ILE B 13 2.948 0.860 -2.589 1.00 0.36 C ATOM 1821 CG1 ILE B 13 2.102 1.347 -3.783 1.00 0.98 C ATOM 1822 CG2 ILE B 13 2.525 1.556 -1.302 1.00 0.85 C ATOM 1823 CD1 ILE B 13 1.683 2.806 -3.713 1.00 1.40 C ATOM 0 H ILE B 13 4.107 2.596 -4.232 1.00 0.27 H new ATOM 0 HA ILE B 13 4.966 1.086 -1.875 1.00 0.27 H new ATOM 0 HB ILE B 13 2.771 -0.210 -2.481 1.00 0.36 H new ATOM 0 HG12 ILE B 13 2.669 1.190 -4.700 1.00 0.98 H new ATOM 0 HG13 ILE B 13 1.207 0.729 -3.852 1.00 0.98 H new ATOM 0 HG21 ILE B 13 1.459 1.399 -1.137 1.00 0.85 H new ATOM 0 HG22 ILE B 13 3.087 1.144 -0.464 1.00 0.85 H new ATOM 0 HG23 ILE B 13 2.726 2.624 -1.383 1.00 0.85 H new ATOM 0 HD11 ILE B 13 1.093 3.058 -4.594 1.00 1.40 H new ATOM 0 HD12 ILE B 13 1.085 2.970 -2.817 1.00 1.40 H new ATOM 0 HD13 ILE B 13 2.570 3.438 -3.678 1.00 1.40 H new ATOM 1835 N SER B 14 6.043 -0.722 -3.176 1.00 0.34 N ATOM 1836 CA SER B 14 6.661 -1.836 -3.872 1.00 0.42 C ATOM 1837 C SER B 14 5.927 -3.140 -3.563 1.00 0.35 C ATOM 1838 O SER B 14 6.155 -3.761 -2.522 1.00 0.40 O ATOM 1839 CB SER B 14 8.131 -1.951 -3.463 1.00 0.54 C ATOM 1840 OG SER B 14 8.658 -0.689 -3.082 1.00 1.47 O ATOM 0 H SER B 14 6.477 -0.490 -2.282 1.00 0.34 H new ATOM 0 HA SER B 14 6.599 -1.654 -4.945 1.00 0.42 H new ATOM 0 HB2 SER B 14 8.227 -2.653 -2.635 1.00 0.54 H new ATOM 0 HB3 SER B 14 8.711 -2.355 -4.292 1.00 0.54 H new ATOM 0 HG SER B 14 8.756 -0.122 -3.876 1.00 1.47 H new ATOM 1846 N ARG B 15 5.033 -3.538 -4.461 1.00 0.31 N ATOM 1847 CA ARG B 15 4.273 -4.768 -4.293 1.00 0.31 C ATOM 1848 C ARG B 15 5.140 -5.966 -4.668 1.00 0.27 C ATOM 1849 O ARG B 15 5.336 -6.268 -5.846 1.00 0.29 O ATOM 1850 CB ARG B 15 3.005 -4.734 -5.152 1.00 0.42 C ATOM 1851 CG ARG B 15 2.056 -3.596 -4.796 1.00 0.54 C ATOM 1852 CD ARG B 15 1.014 -3.370 -5.883 1.00 0.90 C ATOM 1853 NE ARG B 15 -0.054 -4.373 -5.859 1.00 1.40 N ATOM 1854 CZ ARG B 15 -0.457 -5.059 -6.931 1.00 1.85 C ATOM 1855 NH1 ARG B 15 0.171 -4.911 -8.091 1.00 2.03 N ATOM 1856 NH2 ARG B 15 -1.482 -5.896 -6.837 1.00 2.69 N ATOM 0 H ARG B 15 4.817 -3.024 -5.315 1.00 0.31 H new ATOM 0 HA ARG B 15 3.975 -4.861 -3.249 1.00 0.31 H new ATOM 0 HB2 ARG B 15 3.289 -4.644 -6.200 1.00 0.42 H new ATOM 0 HB3 ARG B 15 2.478 -5.682 -5.045 1.00 0.42 H new ATOM 0 HG2 ARG B 15 1.556 -3.821 -3.854 1.00 0.54 H new ATOM 0 HG3 ARG B 15 2.627 -2.680 -4.643 1.00 0.54 H new ATOM 0 HD2 ARG B 15 0.578 -2.378 -5.762 1.00 0.90 H new ATOM 0 HD3 ARG B 15 1.502 -3.388 -6.858 1.00 0.90 H new ATOM 0 HE ARG B 15 -0.518 -4.558 -4.969 1.00 1.40 H new ATOM 0 HH11 ARG B 15 0.963 -4.272 -8.164 1.00 2.03 H new ATOM 0 HH12 ARG B 15 -0.138 -5.436 -8.909 1.00 2.03 H new ATOM 0 HH21 ARG B 15 -1.963 -6.016 -5.945 1.00 2.69 H new ATOM 0 HH22 ARG B 15 -1.789 -6.420 -7.656 1.00 2.69 H new ATOM 1870 N HIS B 16 5.679 -6.632 -3.661 1.00 0.28 N ATOM 1871 CA HIS B 16 6.536 -7.785 -3.893 1.00 0.28 C ATOM 1872 C HIS B 16 6.111 -8.954 -3.018 1.00 0.32 C ATOM 1873 O HIS B 16 5.498 -8.757 -1.968 1.00 0.40 O ATOM 1874 CB HIS B 16 8.007 -7.427 -3.631 1.00 0.32 C ATOM 1875 CG HIS B 16 8.339 -7.172 -2.193 1.00 0.36 C ATOM 1876 ND1 HIS B 16 8.528 -8.180 -1.271 1.00 0.54 N ATOM 1877 CD2 HIS B 16 8.529 -6.014 -1.524 1.00 0.75 C ATOM 1878 CE1 HIS B 16 8.821 -7.652 -0.100 1.00 0.46 C ATOM 1879 NE2 HIS B 16 8.829 -6.340 -0.225 1.00 0.61 N ATOM 0 H HIS B 16 5.540 -6.397 -2.678 1.00 0.28 H new ATOM 0 HA HIS B 16 6.433 -8.081 -4.937 1.00 0.28 H new ATOM 0 HB2 HIS B 16 8.636 -8.239 -3.997 1.00 0.32 H new ATOM 0 HB3 HIS B 16 8.261 -6.540 -4.212 1.00 0.32 H new ATOM 0 HD1 HIS B 16 8.453 -9.178 -1.465 1.00 0.54 H new ATOM 0 HD2 HIS B 16 8.458 -5.018 -1.935 1.00 0.75 H new ATOM 0 HE1 HIS B 16 9.021 -8.201 0.808 1.00 0.46 H new ATOM 1888 N ASN B 17 6.461 -10.162 -3.438 1.00 0.31 N ATOM 1889 CA ASN B 17 6.107 -11.362 -2.691 1.00 0.39 C ATOM 1890 C ASN B 17 6.980 -11.503 -1.443 1.00 0.35 C ATOM 1891 O ASN B 17 7.984 -10.799 -1.293 1.00 0.32 O ATOM 1892 CB ASN B 17 6.202 -12.609 -3.590 1.00 0.49 C ATOM 1893 CG ASN B 17 7.601 -13.193 -3.712 1.00 0.95 C ATOM 1894 OD1 ASN B 17 8.607 -12.492 -3.587 1.00 2.04 O ATOM 1895 ND2 ASN B 17 7.670 -14.490 -3.967 1.00 0.59 N ATOM 0 H ASN B 17 6.990 -10.337 -4.292 1.00 0.31 H new ATOM 0 HA ASN B 17 5.073 -11.269 -2.360 1.00 0.39 H new ATOM 0 HB2 ASN B 17 5.535 -13.376 -3.197 1.00 0.49 H new ATOM 0 HB3 ASN B 17 5.841 -12.352 -4.586 1.00 0.49 H new ATOM 0 HD21 ASN B 17 8.579 -14.942 -4.067 1.00 0.59 H new ATOM 0 HD22 ASN B 17 6.815 -15.037 -4.064 1.00 0.59 H new ATOM 1902 N ILE B 18 6.590 -12.409 -0.555 1.00 0.40 N ATOM 1903 CA ILE B 18 7.305 -12.647 0.700 1.00 0.45 C ATOM 1904 C ILE B 18 8.774 -13.024 0.494 1.00 0.44 C ATOM 1905 O ILE B 18 9.605 -12.782 1.367 1.00 0.52 O ATOM 1906 CB ILE B 18 6.612 -13.746 1.532 1.00 0.53 C ATOM 1907 CG1 ILE B 18 6.271 -14.955 0.652 1.00 0.59 C ATOM 1908 CG2 ILE B 18 5.361 -13.192 2.199 1.00 0.57 C ATOM 1909 CD1 ILE B 18 5.537 -16.062 1.385 1.00 0.70 C ATOM 0 H ILE B 18 5.769 -13.001 -0.681 1.00 0.40 H new ATOM 0 HA ILE B 18 7.279 -11.700 1.239 1.00 0.45 H new ATOM 0 HB ILE B 18 7.299 -14.078 2.311 1.00 0.53 H new ATOM 0 HG12 ILE B 18 5.660 -14.621 -0.186 1.00 0.59 H new ATOM 0 HG13 ILE B 18 7.193 -15.359 0.234 1.00 0.59 H new ATOM 0 HG21 ILE B 18 4.882 -13.978 2.783 1.00 0.57 H new ATOM 0 HG22 ILE B 18 5.634 -12.367 2.857 1.00 0.57 H new ATOM 0 HG23 ILE B 18 4.670 -12.834 1.436 1.00 0.57 H new ATOM 0 HD11 ILE B 18 5.332 -16.881 0.696 1.00 0.70 H new ATOM 0 HD12 ILE B 18 6.154 -16.426 2.207 1.00 0.70 H new ATOM 0 HD13 ILE B 18 4.597 -15.676 1.780 1.00 0.70 H new ATOM 1921 N GLU B 19 9.096 -13.602 -0.657 1.00 0.41 N ATOM 1922 CA GLU B 19 10.471 -14.001 -0.950 1.00 0.45 C ATOM 1923 C GLU B 19 11.360 -12.786 -1.196 1.00 0.41 C ATOM 1924 O GLU B 19 12.584 -12.871 -1.106 1.00 0.51 O ATOM 1925 CB GLU B 19 10.506 -14.931 -2.157 1.00 0.50 C ATOM 1926 CG GLU B 19 10.259 -16.385 -1.800 1.00 0.65 C ATOM 1927 CD GLU B 19 9.756 -17.189 -2.974 1.00 1.21 C ATOM 1928 OE1 GLU B 19 10.497 -17.329 -3.968 1.00 1.28 O ATOM 1929 OE2 GLU B 19 8.611 -17.676 -2.916 1.00 1.92 O ATOM 0 H GLU B 19 8.428 -13.805 -1.401 1.00 0.41 H new ATOM 0 HA GLU B 19 10.858 -14.532 -0.080 1.00 0.45 H new ATOM 0 HB2 GLU B 19 9.755 -14.608 -2.878 1.00 0.50 H new ATOM 0 HB3 GLU B 19 11.476 -14.844 -2.647 1.00 0.50 H new ATOM 0 HG2 GLU B 19 11.184 -16.827 -1.430 1.00 0.65 H new ATOM 0 HG3 GLU B 19 9.533 -16.439 -0.989 1.00 0.65 H new ATOM 1936 N GLY B 20 10.742 -11.658 -1.515 1.00 0.33 N ATOM 1937 CA GLY B 20 11.498 -10.446 -1.752 1.00 0.32 C ATOM 1938 C GLY B 20 11.530 -10.054 -3.212 1.00 0.29 C ATOM 1939 O GLY B 20 12.115 -9.030 -3.567 1.00 0.34 O ATOM 0 H GLY B 20 9.731 -11.561 -1.614 1.00 0.33 H new ATOM 0 HA2 GLY B 20 11.064 -9.632 -1.171 1.00 0.32 H new ATOM 0 HA3 GLY B 20 12.518 -10.584 -1.395 1.00 0.32 H new ATOM 1943 N ILE B 21 10.892 -10.859 -4.051 1.00 0.27 N ATOM 1944 CA ILE B 21 10.852 -10.598 -5.483 1.00 0.28 C ATOM 1945 C ILE B 21 9.733 -9.622 -5.809 1.00 0.27 C ATOM 1946 O ILE B 21 8.573 -9.854 -5.461 1.00 0.31 O ATOM 1947 CB ILE B 21 10.647 -11.899 -6.297 1.00 0.32 C ATOM 1948 CG1 ILE B 21 11.789 -12.884 -6.033 1.00 0.37 C ATOM 1949 CG2 ILE B 21 10.542 -11.592 -7.785 1.00 0.41 C ATOM 1950 CD1 ILE B 21 13.153 -12.344 -6.407 1.00 0.47 C ATOM 0 H ILE B 21 10.394 -11.701 -3.763 1.00 0.27 H new ATOM 0 HA ILE B 21 11.814 -10.166 -5.761 1.00 0.28 H new ATOM 0 HB ILE B 21 9.713 -12.359 -5.975 1.00 0.32 H new ATOM 0 HG12 ILE B 21 11.790 -13.151 -4.976 1.00 0.37 H new ATOM 0 HG13 ILE B 21 11.604 -13.801 -6.593 1.00 0.37 H new ATOM 0 HG21 ILE B 21 10.398 -12.520 -8.339 1.00 0.41 H new ATOM 0 HG22 ILE B 21 9.695 -10.929 -7.961 1.00 0.41 H new ATOM 0 HG23 ILE B 21 11.458 -11.107 -8.122 1.00 0.41 H new ATOM 0 HD11 ILE B 21 13.913 -13.095 -6.193 1.00 0.47 H new ATOM 0 HD12 ILE B 21 13.170 -12.103 -7.470 1.00 0.47 H new ATOM 0 HD13 ILE B 21 13.359 -11.444 -5.828 1.00 0.47 H new ATOM 1962 N PHE B 22 10.089 -8.520 -6.454 1.00 0.25 N ATOM 1963 CA PHE B 22 9.116 -7.504 -6.826 1.00 0.27 C ATOM 1964 C PHE B 22 8.175 -8.024 -7.906 1.00 0.28 C ATOM 1965 O PHE B 22 8.596 -8.301 -9.031 1.00 0.35 O ATOM 1966 CB PHE B 22 9.823 -6.237 -7.309 1.00 0.31 C ATOM 1967 CG PHE B 22 10.609 -5.536 -6.234 1.00 0.33 C ATOM 1968 CD1 PHE B 22 11.878 -5.970 -5.885 1.00 0.38 C ATOM 1969 CD2 PHE B 22 10.078 -4.438 -5.577 1.00 0.36 C ATOM 1970 CE1 PHE B 22 12.603 -5.324 -4.902 1.00 0.45 C ATOM 1971 CE2 PHE B 22 10.798 -3.788 -4.591 1.00 0.44 C ATOM 1972 CZ PHE B 22 12.061 -4.231 -4.253 1.00 0.46 C ATOM 0 H PHE B 22 11.047 -8.307 -6.731 1.00 0.25 H new ATOM 0 HA PHE B 22 8.526 -7.262 -5.942 1.00 0.27 H new ATOM 0 HB2 PHE B 22 10.495 -6.496 -8.128 1.00 0.31 H new ATOM 0 HB3 PHE B 22 9.080 -5.548 -7.712 1.00 0.31 H new ATOM 0 HD1 PHE B 22 12.306 -6.825 -6.388 1.00 0.38 H new ATOM 0 HD2 PHE B 22 9.091 -4.086 -5.838 1.00 0.36 H new ATOM 0 HE1 PHE B 22 13.591 -5.673 -4.641 1.00 0.45 H new ATOM 0 HE2 PHE B 22 10.372 -2.934 -4.086 1.00 0.44 H new ATOM 0 HZ PHE B 22 12.624 -3.725 -3.483 1.00 0.46 H new ATOM 1982 N THR B 23 6.908 -8.168 -7.550 1.00 0.27 N ATOM 1983 CA THR B 23 5.898 -8.648 -8.477 1.00 0.30 C ATOM 1984 C THR B 23 5.369 -7.500 -9.331 1.00 0.27 C ATOM 1985 O THR B 23 5.136 -7.656 -10.531 1.00 0.33 O ATOM 1986 CB THR B 23 4.739 -9.310 -7.714 1.00 0.42 C ATOM 1987 OG1 THR B 23 5.268 -10.071 -6.620 1.00 1.35 O ATOM 1988 CG2 THR B 23 3.932 -10.219 -8.629 1.00 1.14 C ATOM 0 H THR B 23 6.554 -7.957 -6.617 1.00 0.27 H new ATOM 0 HA THR B 23 6.359 -9.389 -9.130 1.00 0.30 H new ATOM 0 HB THR B 23 4.076 -8.530 -7.340 1.00 0.42 H new ATOM 0 HG1 THR B 23 4.532 -10.494 -6.129 1.00 1.35 H new ATOM 0 HG21 THR B 23 3.119 -10.674 -8.064 1.00 1.14 H new ATOM 0 HG22 THR B 23 3.520 -9.634 -9.451 1.00 1.14 H new ATOM 0 HG23 THR B 23 4.579 -11.000 -9.028 1.00 1.14 H new ATOM 1996 N PHE B 24 5.191 -6.346 -8.702 1.00 0.25 N ATOM 1997 CA PHE B 24 4.705 -5.163 -9.394 1.00 0.28 C ATOM 1998 C PHE B 24 5.204 -3.911 -8.688 1.00 0.26 C ATOM 1999 O PHE B 24 4.886 -3.672 -7.523 1.00 0.27 O ATOM 2000 CB PHE B 24 3.175 -5.158 -9.458 1.00 0.36 C ATOM 2001 CG PHE B 24 2.619 -4.231 -10.503 1.00 0.46 C ATOM 2002 CD1 PHE B 24 2.338 -2.908 -10.199 1.00 0.51 C ATOM 2003 CD2 PHE B 24 2.377 -4.684 -11.789 1.00 0.59 C ATOM 2004 CE1 PHE B 24 1.829 -2.055 -11.160 1.00 0.61 C ATOM 2005 CE2 PHE B 24 1.868 -3.836 -12.752 1.00 0.71 C ATOM 2006 CZ PHE B 24 1.594 -2.520 -12.437 1.00 0.70 C ATOM 0 H PHE B 24 5.377 -6.205 -7.709 1.00 0.25 H new ATOM 0 HA PHE B 24 5.088 -5.177 -10.414 1.00 0.28 H new ATOM 0 HB2 PHE B 24 2.825 -6.170 -9.659 1.00 0.36 H new ATOM 0 HB3 PHE B 24 2.780 -4.872 -8.483 1.00 0.36 H new ATOM 0 HD1 PHE B 24 2.519 -2.540 -9.200 1.00 0.51 H new ATOM 0 HD2 PHE B 24 2.589 -5.712 -12.041 1.00 0.59 H new ATOM 0 HE1 PHE B 24 1.616 -1.026 -10.911 1.00 0.61 H new ATOM 0 HE2 PHE B 24 1.684 -4.202 -13.751 1.00 0.71 H new ATOM 0 HZ PHE B 24 1.196 -1.855 -13.190 1.00 0.70 H new ATOM 2016 N VAL B 25 5.995 -3.121 -9.391 1.00 0.26 N ATOM 2017 CA VAL B 25 6.541 -1.900 -8.826 1.00 0.27 C ATOM 2018 C VAL B 25 5.696 -0.697 -9.225 1.00 0.26 C ATOM 2019 O VAL B 25 5.375 -0.512 -10.403 1.00 0.25 O ATOM 2020 CB VAL B 25 8.000 -1.679 -9.276 1.00 0.34 C ATOM 2021 CG1 VAL B 25 8.604 -0.464 -8.589 1.00 0.74 C ATOM 2022 CG2 VAL B 25 8.834 -2.920 -8.997 1.00 0.78 C ATOM 0 H VAL B 25 6.274 -3.303 -10.355 1.00 0.26 H new ATOM 0 HA VAL B 25 6.524 -2.006 -7.741 1.00 0.27 H new ATOM 0 HB VAL B 25 8.000 -1.493 -10.350 1.00 0.34 H new ATOM 0 HG11 VAL B 25 9.633 -0.331 -8.924 1.00 0.74 H new ATOM 0 HG12 VAL B 25 8.023 0.423 -8.841 1.00 0.74 H new ATOM 0 HG13 VAL B 25 8.590 -0.612 -7.509 1.00 0.74 H new ATOM 0 HG21 VAL B 25 9.861 -2.748 -9.320 1.00 0.78 H new ATOM 0 HG22 VAL B 25 8.821 -3.135 -7.928 1.00 0.78 H new ATOM 0 HG23 VAL B 25 8.419 -3.768 -9.542 1.00 0.78 H new ATOM 2032 N ASP B 26 5.329 0.103 -8.236 1.00 0.27 N ATOM 2033 CA ASP B 26 4.524 1.296 -8.465 1.00 0.29 C ATOM 2034 C ASP B 26 5.297 2.298 -9.317 1.00 0.24 C ATOM 2035 O ASP B 26 6.522 2.401 -9.222 1.00 0.22 O ATOM 2036 CB ASP B 26 4.121 1.918 -7.128 1.00 0.39 C ATOM 2037 CG ASP B 26 3.256 3.152 -7.278 1.00 0.48 C ATOM 2038 OD1 ASP B 26 2.445 3.216 -8.227 1.00 0.78 O ATOM 2039 OD2 ASP B 26 3.377 4.062 -6.436 1.00 0.72 O ATOM 0 H ASP B 26 5.577 -0.053 -7.259 1.00 0.27 H new ATOM 0 HA ASP B 26 3.618 1.017 -9.004 1.00 0.29 H new ATOM 0 HB2 ASP B 26 3.584 1.176 -6.537 1.00 0.39 H new ATOM 0 HB3 ASP B 26 5.021 2.179 -6.571 1.00 0.39 H new ATOM 2044 N HIS B 27 4.574 3.051 -10.129 1.00 0.26 N ATOM 2045 CA HIS B 27 5.184 4.026 -11.031 1.00 0.26 C ATOM 2046 C HIS B 27 5.579 5.313 -10.308 1.00 0.23 C ATOM 2047 O HIS B 27 5.173 6.407 -10.697 1.00 0.26 O ATOM 2048 CB HIS B 27 4.248 4.344 -12.208 1.00 0.34 C ATOM 2049 CG HIS B 27 2.808 4.577 -11.834 1.00 0.50 C ATOM 2050 ND1 HIS B 27 2.286 5.822 -11.553 1.00 0.70 N ATOM 2051 CD2 HIS B 27 1.771 3.710 -11.735 1.00 0.66 C ATOM 2052 CE1 HIS B 27 0.994 5.709 -11.304 1.00 0.86 C ATOM 2053 NE2 HIS B 27 0.654 4.437 -11.407 1.00 0.83 N ATOM 0 H HIS B 27 3.556 3.008 -10.185 1.00 0.26 H new ATOM 0 HA HIS B 27 6.097 3.572 -11.417 1.00 0.26 H new ATOM 0 HB2 HIS B 27 4.622 5.230 -12.720 1.00 0.34 H new ATOM 0 HB3 HIS B 27 4.293 3.521 -12.921 1.00 0.34 H new ATOM 0 HD2 HIS B 27 1.815 2.642 -11.887 1.00 0.66 H new ATOM 0 HE1 HIS B 27 0.327 6.521 -11.057 1.00 0.86 H new ATOM 0 HE2 HIS B 27 -0.282 4.058 -11.266 1.00 0.83 H new ATOM 2062 N ARG B 28 6.383 5.180 -9.264 1.00 0.24 N ATOM 2063 CA ARG B 28 6.842 6.334 -8.499 1.00 0.27 C ATOM 2064 C ARG B 28 8.243 6.089 -7.946 1.00 0.24 C ATOM 2065 O ARG B 28 8.685 6.763 -7.018 1.00 0.28 O ATOM 2066 CB ARG B 28 5.860 6.645 -7.363 1.00 0.35 C ATOM 2067 CG ARG B 28 4.839 7.710 -7.721 1.00 0.48 C ATOM 2068 CD ARG B 28 3.614 7.644 -6.825 1.00 0.56 C ATOM 2069 NE ARG B 28 2.771 6.493 -7.138 1.00 0.99 N ATOM 2070 CZ ARG B 28 1.589 6.567 -7.747 1.00 1.26 C ATOM 2071 NH1 ARG B 28 1.087 7.740 -8.107 1.00 1.61 N ATOM 2072 NH2 ARG B 28 0.917 5.459 -8.014 1.00 1.87 N ATOM 0 H ARG B 28 6.733 4.284 -8.925 1.00 0.24 H new ATOM 0 HA ARG B 28 6.885 7.196 -9.165 1.00 0.27 H new ATOM 0 HB2 ARG B 28 5.337 5.730 -7.085 1.00 0.35 H new ATOM 0 HB3 ARG B 28 6.421 6.970 -6.487 1.00 0.35 H new ATOM 0 HG2 ARG B 28 5.298 8.695 -7.637 1.00 0.48 H new ATOM 0 HG3 ARG B 28 4.535 7.587 -8.761 1.00 0.48 H new ATOM 0 HD2 ARG B 28 3.929 7.590 -5.783 1.00 0.56 H new ATOM 0 HD3 ARG B 28 3.033 8.560 -6.936 1.00 0.56 H new ATOM 0 HE ARG B 28 3.111 5.569 -6.872 1.00 0.99 H new ATOM 0 HH11 ARG B 28 1.607 8.597 -7.918 1.00 1.61 H new ATOM 0 HH12 ARG B 28 0.181 7.786 -8.573 1.00 1.61 H new ATOM 0 HH21 ARG B 28 1.305 4.552 -7.753 1.00 1.87 H new ATOM 0 HH22 ARG B 28 0.011 5.512 -8.480 1.00 1.87 H new ATOM 2086 N CYS B 29 8.948 5.135 -8.543 1.00 0.21 N ATOM 2087 CA CYS B 29 10.299 4.790 -8.108 1.00 0.22 C ATOM 2088 C CYS B 29 11.354 5.633 -8.824 1.00 0.22 C ATOM 2089 O CYS B 29 12.519 5.678 -8.413 1.00 0.25 O ATOM 2090 CB CYS B 29 10.555 3.308 -8.364 1.00 0.27 C ATOM 2091 SG CYS B 29 10.125 2.777 -10.036 1.00 1.34 S ATOM 0 H CYS B 29 8.607 4.585 -9.331 1.00 0.21 H new ATOM 0 HA CYS B 29 10.375 5.000 -7.041 1.00 0.22 H new ATOM 0 HB2 CYS B 29 11.608 3.094 -8.184 1.00 0.27 H new ATOM 0 HB3 CYS B 29 9.982 2.720 -7.647 1.00 0.27 H new ATOM 0 HG CYS B 29 11.211 2.606 -10.730 1.00 1.34 H new ATOM 2097 N VAL B 30 10.937 6.304 -9.890 1.00 0.24 N ATOM 2098 CA VAL B 30 11.833 7.140 -10.682 1.00 0.31 C ATOM 2099 C VAL B 30 12.329 8.337 -9.871 1.00 0.33 C ATOM 2100 O VAL B 30 13.465 8.786 -10.029 1.00 0.38 O ATOM 2101 CB VAL B 30 11.129 7.633 -11.966 1.00 0.39 C ATOM 2102 CG1 VAL B 30 12.061 8.490 -12.811 1.00 1.01 C ATOM 2103 CG2 VAL B 30 10.610 6.450 -12.772 1.00 0.92 C ATOM 0 H VAL B 30 9.975 6.285 -10.229 1.00 0.24 H new ATOM 0 HA VAL B 30 12.692 6.530 -10.961 1.00 0.31 H new ATOM 0 HB VAL B 30 10.283 8.253 -11.671 1.00 0.39 H new ATOM 0 HG11 VAL B 30 11.537 8.822 -13.707 1.00 1.01 H new ATOM 0 HG12 VAL B 30 12.380 9.358 -12.234 1.00 1.01 H new ATOM 0 HG13 VAL B 30 12.935 7.904 -13.097 1.00 1.01 H new ATOM 0 HG21 VAL B 30 10.116 6.813 -13.674 1.00 0.92 H new ATOM 0 HG22 VAL B 30 11.444 5.805 -13.049 1.00 0.92 H new ATOM 0 HG23 VAL B 30 9.898 5.885 -12.171 1.00 0.92 H new ATOM 2113 N ALA B 31 11.485 8.833 -8.983 1.00 0.34 N ATOM 2114 CA ALA B 31 11.843 9.975 -8.155 1.00 0.40 C ATOM 2115 C ALA B 31 12.619 9.539 -6.918 1.00 0.39 C ATOM 2116 O ALA B 31 13.505 10.250 -6.447 1.00 0.45 O ATOM 2117 CB ALA B 31 10.596 10.735 -7.744 1.00 0.46 C ATOM 0 H ALA B 31 10.549 8.465 -8.816 1.00 0.34 H new ATOM 0 HA ALA B 31 12.485 10.629 -8.745 1.00 0.40 H new ATOM 0 HB1 ALA B 31 10.877 11.587 -7.125 1.00 0.46 H new ATOM 0 HB2 ALA B 31 10.076 11.089 -8.634 1.00 0.46 H new ATOM 0 HB3 ALA B 31 9.938 10.076 -7.177 1.00 0.46 H new ATOM 2123 N THR B 32 12.288 8.361 -6.406 1.00 0.36 N ATOM 2124 CA THR B 32 12.930 7.826 -5.214 1.00 0.38 C ATOM 2125 C THR B 32 14.395 7.464 -5.456 1.00 0.42 C ATOM 2126 O THR B 32 15.292 8.059 -4.860 1.00 0.48 O ATOM 2127 CB THR B 32 12.174 6.585 -4.719 1.00 0.37 C ATOM 2128 OG1 THR B 32 11.141 6.260 -5.656 1.00 0.36 O ATOM 2129 CG2 THR B 32 11.568 6.824 -3.345 1.00 0.44 C ATOM 0 H THR B 32 11.571 7.753 -6.803 1.00 0.36 H new ATOM 0 HA THR B 32 12.901 8.610 -4.457 1.00 0.38 H new ATOM 0 HB THR B 32 12.878 5.757 -4.637 1.00 0.37 H new ATOM 0 HG1 THR B 32 10.566 5.561 -5.280 1.00 0.36 H new ATOM 0 HG21 THR B 32 11.039 5.928 -3.020 1.00 0.44 H new ATOM 0 HG22 THR B 32 12.360 7.056 -2.633 1.00 0.44 H new ATOM 0 HG23 THR B 32 10.870 7.660 -3.396 1.00 0.44 H new ATOM 2137 N VAL B 33 14.636 6.493 -6.329 1.00 0.42 N ATOM 2138 CA VAL B 33 16.000 6.059 -6.616 1.00 0.52 C ATOM 2139 C VAL B 33 16.345 6.189 -8.095 1.00 0.57 C ATOM 2140 O VAL B 33 17.517 6.166 -8.469 1.00 0.99 O ATOM 2141 CB VAL B 33 16.236 4.600 -6.172 1.00 0.56 C ATOM 2142 CG1 VAL B 33 16.545 4.538 -4.684 1.00 0.67 C ATOM 2143 CG2 VAL B 33 15.030 3.730 -6.508 1.00 0.51 C ATOM 0 H VAL B 33 13.913 5.994 -6.847 1.00 0.42 H new ATOM 0 HA VAL B 33 16.652 6.720 -6.045 1.00 0.52 H new ATOM 0 HB VAL B 33 17.096 4.212 -6.718 1.00 0.56 H new ATOM 0 HG11 VAL B 33 16.708 3.501 -4.389 1.00 0.67 H new ATOM 0 HG12 VAL B 33 17.442 5.121 -4.474 1.00 0.67 H new ATOM 0 HG13 VAL B 33 15.706 4.947 -4.121 1.00 0.67 H new ATOM 0 HG21 VAL B 33 15.219 2.706 -6.186 1.00 0.51 H new ATOM 0 HG22 VAL B 33 14.149 4.115 -5.994 1.00 0.51 H new ATOM 0 HG23 VAL B 33 14.858 3.746 -7.584 1.00 0.51 H new ATOM 2153 N GLY B 34 15.326 6.318 -8.937 1.00 0.36 N ATOM 2154 CA GLY B 34 15.559 6.447 -10.365 1.00 0.38 C ATOM 2155 C GLY B 34 15.494 5.111 -11.074 1.00 0.33 C ATOM 2156 O GLY B 34 15.591 5.039 -12.300 1.00 0.38 O ATOM 0 H GLY B 34 14.345 6.336 -8.658 1.00 0.36 H new ATOM 0 HA2 GLY B 34 14.818 7.121 -10.794 1.00 0.38 H new ATOM 0 HA3 GLY B 34 16.536 6.899 -10.533 1.00 0.38 H new ATOM 2160 N TYR B 35 15.330 4.051 -10.295 1.00 0.32 N ATOM 2161 CA TYR B 35 15.244 2.703 -10.837 1.00 0.31 C ATOM 2162 C TYR B 35 13.929 2.499 -11.564 1.00 0.29 C ATOM 2163 O TYR B 35 12.881 2.976 -11.123 1.00 0.35 O ATOM 2164 CB TYR B 35 15.354 1.665 -9.718 1.00 0.33 C ATOM 2165 CG TYR B 35 16.769 1.255 -9.389 1.00 0.30 C ATOM 2166 CD1 TYR B 35 17.404 0.243 -10.097 1.00 0.39 C ATOM 2167 CD2 TYR B 35 17.466 1.872 -8.364 1.00 0.30 C ATOM 2168 CE1 TYR B 35 18.695 -0.137 -9.791 1.00 0.39 C ATOM 2169 CE2 TYR B 35 18.755 1.499 -8.055 1.00 0.30 C ATOM 2170 CZ TYR B 35 19.365 0.495 -8.768 1.00 0.30 C ATOM 2171 OH TYR B 35 20.654 0.126 -8.458 1.00 0.34 O ATOM 0 H TYR B 35 15.253 4.100 -9.279 1.00 0.32 H new ATOM 0 HA TYR B 35 16.070 2.576 -11.537 1.00 0.31 H new ATOM 0 HB2 TYR B 35 14.886 2.066 -8.819 1.00 0.33 H new ATOM 0 HB3 TYR B 35 14.788 0.778 -10.004 1.00 0.33 H new ATOM 0 HD1 TYR B 35 16.879 -0.254 -10.899 1.00 0.39 H new ATOM 0 HD2 TYR B 35 16.991 2.659 -7.797 1.00 0.30 H new ATOM 0 HE1 TYR B 35 19.177 -0.925 -10.351 1.00 0.39 H new ATOM 0 HE2 TYR B 35 19.285 1.994 -7.255 1.00 0.30 H new ATOM 0 HH TYR B 35 21.139 0.899 -8.102 1.00 0.34 H new ATOM 2181 N GLN B 36 13.988 1.803 -12.683 1.00 0.30 N ATOM 2182 CA GLN B 36 12.792 1.508 -13.446 1.00 0.31 C ATOM 2183 C GLN B 36 12.082 0.331 -12.795 1.00 0.30 C ATOM 2184 O GLN B 36 12.740 -0.561 -12.261 1.00 0.35 O ATOM 2185 CB GLN B 36 13.144 1.176 -14.898 1.00 0.40 C ATOM 2186 CG GLN B 36 13.707 2.353 -15.679 1.00 0.42 C ATOM 2187 CD GLN B 36 12.743 3.520 -15.756 1.00 0.81 C ATOM 2188 OE1 GLN B 36 11.873 3.567 -16.628 1.00 1.63 O ATOM 2189 NE2 GLN B 36 12.896 4.478 -14.858 1.00 1.29 N ATOM 0 H GLN B 36 14.850 1.432 -13.083 1.00 0.30 H new ATOM 0 HA GLN B 36 12.139 2.381 -13.453 1.00 0.31 H new ATOM 0 HB2 GLN B 36 13.871 0.364 -14.909 1.00 0.40 H new ATOM 0 HB3 GLN B 36 12.250 0.811 -15.404 1.00 0.40 H new ATOM 0 HG2 GLN B 36 14.634 2.684 -15.211 1.00 0.42 H new ATOM 0 HG3 GLN B 36 13.958 2.027 -16.688 1.00 0.42 H new ATOM 0 HE21 GLN B 36 13.628 4.403 -14.152 1.00 1.29 H new ATOM 0 HE22 GLN B 36 12.282 5.292 -14.871 1.00 1.29 H new ATOM 2198 N PRO B 37 10.741 0.308 -12.809 1.00 0.33 N ATOM 2199 CA PRO B 37 9.969 -0.785 -12.208 1.00 0.35 C ATOM 2200 C PRO B 37 10.435 -2.153 -12.697 1.00 0.31 C ATOM 2201 O PRO B 37 10.523 -3.107 -11.925 1.00 0.30 O ATOM 2202 CB PRO B 37 8.539 -0.508 -12.675 1.00 0.43 C ATOM 2203 CG PRO B 37 8.499 0.963 -12.901 1.00 0.49 C ATOM 2204 CD PRO B 37 9.869 1.343 -13.396 1.00 0.40 C ATOM 0 HA PRO B 37 10.077 -0.816 -11.124 1.00 0.35 H new ATOM 0 HB2 PRO B 37 8.306 -1.056 -13.588 1.00 0.43 H new ATOM 0 HB3 PRO B 37 7.810 -0.814 -11.925 1.00 0.43 H new ATOM 0 HG2 PRO B 37 7.733 1.225 -13.631 1.00 0.49 H new ATOM 0 HG3 PRO B 37 8.256 1.493 -11.980 1.00 0.49 H new ATOM 0 HD2 PRO B 37 9.918 1.340 -14.485 1.00 0.40 H new ATOM 0 HD3 PRO B 37 10.153 2.342 -13.066 1.00 0.40 H new ATOM 2212 N GLN B 38 10.772 -2.217 -13.978 1.00 0.33 N ATOM 2213 CA GLN B 38 11.231 -3.447 -14.610 1.00 0.35 C ATOM 2214 C GLN B 38 12.569 -3.917 -14.036 1.00 0.34 C ATOM 2215 O GLN B 38 12.879 -5.109 -14.067 1.00 0.33 O ATOM 2216 CB GLN B 38 11.348 -3.243 -16.123 1.00 0.46 C ATOM 2217 CG GLN B 38 10.039 -2.833 -16.786 1.00 0.57 C ATOM 2218 CD GLN B 38 9.856 -1.325 -16.872 1.00 1.14 C ATOM 2219 OE1 GLN B 38 10.430 -0.567 -16.088 1.00 2.03 O ATOM 2220 NE2 GLN B 38 9.040 -0.882 -17.814 1.00 1.34 N ATOM 0 H GLN B 38 10.735 -1.417 -14.609 1.00 0.33 H new ATOM 0 HA GLN B 38 10.494 -4.223 -14.402 1.00 0.35 H new ATOM 0 HB2 GLN B 38 12.101 -2.480 -16.321 1.00 0.46 H new ATOM 0 HB3 GLN B 38 11.703 -4.167 -16.579 1.00 0.46 H new ATOM 0 HG2 GLN B 38 10.000 -3.255 -17.790 1.00 0.57 H new ATOM 0 HG3 GLN B 38 9.207 -3.262 -16.228 1.00 0.57 H new ATOM 0 HE21 GLN B 38 8.583 -1.541 -18.444 1.00 1.34 H new ATOM 0 HE22 GLN B 38 8.868 0.119 -17.910 1.00 1.34 H new ATOM 2229 N GLU B 39 13.354 -2.987 -13.503 1.00 0.39 N ATOM 2230 CA GLU B 39 14.652 -3.325 -12.928 1.00 0.44 C ATOM 2231 C GLU B 39 14.478 -4.105 -11.629 1.00 0.44 C ATOM 2232 O GLU B 39 15.246 -5.023 -11.337 1.00 0.53 O ATOM 2233 CB GLU B 39 15.475 -2.064 -12.657 1.00 0.55 C ATOM 2234 CG GLU B 39 16.014 -1.393 -13.910 1.00 0.59 C ATOM 2235 CD GLU B 39 16.963 -0.251 -13.599 1.00 1.16 C ATOM 2236 OE1 GLU B 39 18.180 -0.508 -13.435 1.00 1.59 O ATOM 2237 OE2 GLU B 39 16.504 0.907 -13.529 1.00 1.69 O ATOM 0 H GLU B 39 13.116 -1.996 -13.457 1.00 0.39 H new ATOM 0 HA GLU B 39 15.182 -3.945 -13.651 1.00 0.44 H new ATOM 0 HB2 GLU B 39 14.857 -1.350 -12.113 1.00 0.55 H new ATOM 0 HB3 GLU B 39 16.312 -2.322 -12.007 1.00 0.55 H new ATOM 0 HG2 GLU B 39 16.531 -2.134 -14.520 1.00 0.59 H new ATOM 0 HG3 GLU B 39 15.181 -1.016 -14.503 1.00 0.59 H new ATOM 2244 N LEU B 40 13.463 -3.734 -10.856 1.00 0.41 N ATOM 2245 CA LEU B 40 13.189 -4.395 -9.583 1.00 0.44 C ATOM 2246 C LEU B 40 12.462 -5.716 -9.805 1.00 0.40 C ATOM 2247 O LEU B 40 12.607 -6.657 -9.024 1.00 0.45 O ATOM 2248 CB LEU B 40 12.346 -3.494 -8.670 1.00 0.50 C ATOM 2249 CG LEU B 40 13.047 -2.246 -8.111 1.00 0.53 C ATOM 2250 CD1 LEU B 40 14.503 -2.536 -7.777 1.00 1.10 C ATOM 2251 CD2 LEU B 40 12.940 -1.081 -9.084 1.00 1.24 C ATOM 0 H LEU B 40 12.816 -2.980 -11.087 1.00 0.41 H new ATOM 0 HA LEU B 40 14.146 -4.592 -9.101 1.00 0.44 H new ATOM 0 HB2 LEU B 40 11.465 -3.172 -9.226 1.00 0.50 H new ATOM 0 HB3 LEU B 40 11.992 -4.093 -7.831 1.00 0.50 H new ATOM 0 HG LEU B 40 12.540 -1.967 -7.187 1.00 0.53 H new ATOM 0 HD11 LEU B 40 14.973 -1.634 -7.384 1.00 1.10 H new ATOM 0 HD12 LEU B 40 14.554 -3.327 -7.029 1.00 1.10 H new ATOM 0 HD13 LEU B 40 15.027 -2.854 -8.678 1.00 1.10 H new ATOM 0 HD21 LEU B 40 13.444 -0.210 -8.665 1.00 1.24 H new ATOM 0 HD22 LEU B 40 13.410 -1.352 -10.029 1.00 1.24 H new ATOM 0 HD23 LEU B 40 11.890 -0.845 -9.255 1.00 1.24 H new ATOM 2263 N LEU B 41 11.680 -5.774 -10.877 1.00 0.34 N ATOM 2264 CA LEU B 41 10.916 -6.972 -11.213 1.00 0.34 C ATOM 2265 C LEU B 41 11.835 -8.174 -11.405 1.00 0.38 C ATOM 2266 O LEU B 41 12.635 -8.213 -12.342 1.00 0.43 O ATOM 2267 CB LEU B 41 10.094 -6.746 -12.486 1.00 0.29 C ATOM 2268 CG LEU B 41 9.023 -5.657 -12.393 1.00 0.28 C ATOM 2269 CD1 LEU B 41 8.316 -5.487 -13.728 1.00 0.30 C ATOM 2270 CD2 LEU B 41 8.020 -5.981 -11.300 1.00 0.30 C ATOM 0 H LEU B 41 11.558 -5.002 -11.532 1.00 0.34 H new ATOM 0 HA LEU B 41 10.242 -7.178 -10.382 1.00 0.34 H new ATOM 0 HB2 LEU B 41 10.776 -6.492 -13.298 1.00 0.29 H new ATOM 0 HB3 LEU B 41 9.611 -7.685 -12.757 1.00 0.29 H new ATOM 0 HG LEU B 41 9.515 -4.718 -12.140 1.00 0.28 H new ATOM 0 HD11 LEU B 41 7.558 -4.708 -13.642 1.00 0.30 H new ATOM 0 HD12 LEU B 41 9.042 -5.204 -14.491 1.00 0.30 H new ATOM 0 HD13 LEU B 41 7.841 -6.426 -14.010 1.00 0.30 H new ATOM 0 HD21 LEU B 41 7.268 -5.194 -11.251 1.00 0.30 H new ATOM 0 HD22 LEU B 41 7.536 -6.932 -11.521 1.00 0.30 H new ATOM 0 HD23 LEU B 41 8.535 -6.050 -10.342 1.00 0.30 H new ATOM 2282 N GLY B 42 11.722 -9.146 -10.511 1.00 0.43 N ATOM 2283 CA GLY B 42 12.545 -10.338 -10.606 1.00 0.51 C ATOM 2284 C GLY B 42 13.810 -10.250 -9.774 1.00 0.49 C ATOM 2285 O GLY B 42 14.657 -11.140 -9.827 1.00 0.53 O ATOM 0 H GLY B 42 11.076 -9.132 -9.722 1.00 0.43 H new ATOM 0 HA2 GLY B 42 11.963 -11.202 -10.283 1.00 0.51 H new ATOM 0 HA3 GLY B 42 12.813 -10.506 -11.649 1.00 0.51 H new ATOM 2289 N LYS B 43 13.943 -9.177 -9.011 1.00 0.46 N ATOM 2290 CA LYS B 43 15.111 -8.980 -8.166 1.00 0.47 C ATOM 2291 C LYS B 43 14.703 -8.897 -6.702 1.00 0.40 C ATOM 2292 O LYS B 43 13.520 -8.747 -6.386 1.00 0.50 O ATOM 2293 CB LYS B 43 15.853 -7.701 -8.566 1.00 0.57 C ATOM 2294 CG LYS B 43 16.476 -7.748 -9.955 1.00 0.73 C ATOM 2295 CD LYS B 43 17.954 -8.110 -9.901 1.00 0.81 C ATOM 2296 CE LYS B 43 18.163 -9.613 -9.855 1.00 1.70 C ATOM 2297 NZ LYS B 43 19.573 -9.964 -9.545 1.00 2.45 N ATOM 0 H LYS B 43 13.254 -8.426 -8.959 1.00 0.46 H new ATOM 0 HA LYS B 43 15.775 -9.834 -8.302 1.00 0.47 H new ATOM 0 HB2 LYS B 43 15.158 -6.862 -8.520 1.00 0.57 H new ATOM 0 HB3 LYS B 43 16.637 -7.506 -7.835 1.00 0.57 H new ATOM 0 HG2 LYS B 43 15.945 -8.478 -10.567 1.00 0.73 H new ATOM 0 HG3 LYS B 43 16.357 -6.779 -10.440 1.00 0.73 H new ATOM 0 HD2 LYS B 43 18.461 -7.699 -10.774 1.00 0.81 H new ATOM 0 HD3 LYS B 43 18.409 -7.652 -9.023 1.00 0.81 H new ATOM 0 HE2 LYS B 43 17.506 -10.049 -9.102 1.00 1.70 H new ATOM 0 HE3 LYS B 43 17.882 -10.049 -10.814 1.00 1.70 H new ATOM 0 HZ1 LYS B 43 19.666 -10.997 -9.472 1.00 2.45 H new ATOM 0 HZ2 LYS B 43 20.193 -9.614 -10.303 1.00 2.45 H new ATOM 0 HZ3 LYS B 43 19.849 -9.527 -8.642 1.00 2.45 H new ATOM 2311 N ASN B 44 15.684 -9.003 -5.818 1.00 0.32 N ATOM 2312 CA ASN B 44 15.436 -8.924 -4.388 1.00 0.29 C ATOM 2313 C ASN B 44 15.793 -7.534 -3.879 1.00 0.28 C ATOM 2314 O ASN B 44 16.790 -6.949 -4.297 1.00 0.30 O ATOM 2315 CB ASN B 44 16.249 -9.976 -3.623 1.00 0.30 C ATOM 2316 CG ASN B 44 15.644 -11.369 -3.690 1.00 0.91 C ATOM 2317 OD1 ASN B 44 16.002 -12.175 -4.548 1.00 1.92 O ATOM 2318 ND2 ASN B 44 14.730 -11.670 -2.778 1.00 0.70 N ATOM 0 H ASN B 44 16.663 -9.144 -6.068 1.00 0.32 H new ATOM 0 HA ASN B 44 14.377 -9.119 -4.217 1.00 0.29 H new ATOM 0 HB2 ASN B 44 17.261 -10.007 -4.027 1.00 0.30 H new ATOM 0 HB3 ASN B 44 16.331 -9.673 -2.579 1.00 0.30 H new ATOM 0 HD21 ASN B 44 14.300 -12.595 -2.773 1.00 0.70 H new ATOM 0 HD22 ASN B 44 14.457 -10.977 -2.081 1.00 0.70 H new ATOM 2325 N ILE B 45 14.981 -7.015 -2.966 1.00 0.25 N ATOM 2326 CA ILE B 45 15.206 -5.686 -2.395 1.00 0.25 C ATOM 2327 C ILE B 45 16.548 -5.602 -1.655 1.00 0.24 C ATOM 2328 O ILE B 45 17.149 -4.534 -1.552 1.00 0.31 O ATOM 2329 CB ILE B 45 14.048 -5.289 -1.443 1.00 0.25 C ATOM 2330 CG1 ILE B 45 14.193 -3.832 -0.994 1.00 0.27 C ATOM 2331 CG2 ILE B 45 13.989 -6.219 -0.236 1.00 0.24 C ATOM 2332 CD1 ILE B 45 12.978 -3.292 -0.268 1.00 0.28 C ATOM 0 H ILE B 45 14.157 -7.494 -2.602 1.00 0.25 H new ATOM 0 HA ILE B 45 15.237 -4.982 -3.227 1.00 0.25 H new ATOM 0 HB ILE B 45 13.112 -5.389 -1.992 1.00 0.25 H new ATOM 0 HG12 ILE B 45 15.062 -3.748 -0.341 1.00 0.27 H new ATOM 0 HG13 ILE B 45 14.389 -3.210 -1.868 1.00 0.27 H new ATOM 0 HG21 ILE B 45 13.168 -5.918 0.415 1.00 0.24 H new ATOM 0 HG22 ILE B 45 13.828 -7.243 -0.573 1.00 0.24 H new ATOM 0 HG23 ILE B 45 14.928 -6.161 0.314 1.00 0.24 H new ATOM 0 HD11 ILE B 45 13.156 -2.255 0.018 1.00 0.28 H new ATOM 0 HD12 ILE B 45 12.109 -3.343 -0.925 1.00 0.28 H new ATOM 0 HD13 ILE B 45 12.793 -3.889 0.625 1.00 0.28 H new ATOM 2344 N VAL B 46 17.026 -6.744 -1.174 1.00 0.21 N ATOM 2345 CA VAL B 46 18.284 -6.805 -0.437 1.00 0.23 C ATOM 2346 C VAL B 46 19.484 -6.530 -1.351 1.00 0.23 C ATOM 2347 O VAL B 46 20.545 -6.112 -0.886 1.00 0.29 O ATOM 2348 CB VAL B 46 18.453 -8.178 0.261 1.00 0.26 C ATOM 2349 CG1 VAL B 46 18.702 -9.288 -0.751 1.00 1.08 C ATOM 2350 CG2 VAL B 46 19.568 -8.131 1.296 1.00 1.15 C ATOM 0 H VAL B 46 16.559 -7.644 -1.282 1.00 0.21 H new ATOM 0 HA VAL B 46 18.249 -6.026 0.325 1.00 0.23 H new ATOM 0 HB VAL B 46 17.519 -8.401 0.777 1.00 0.26 H new ATOM 0 HG11 VAL B 46 18.816 -10.238 -0.229 1.00 1.08 H new ATOM 0 HG12 VAL B 46 17.858 -9.351 -1.437 1.00 1.08 H new ATOM 0 HG13 VAL B 46 19.611 -9.071 -1.312 1.00 1.08 H new ATOM 0 HG21 VAL B 46 19.665 -9.107 1.771 1.00 1.15 H new ATOM 0 HG22 VAL B 46 20.507 -7.870 0.808 1.00 1.15 H new ATOM 0 HG23 VAL B 46 19.332 -7.382 2.052 1.00 1.15 H new ATOM 2360 N GLU B 47 19.297 -6.733 -2.653 1.00 0.23 N ATOM 2361 CA GLU B 47 20.366 -6.517 -3.624 1.00 0.27 C ATOM 2362 C GLU B 47 20.648 -5.033 -3.796 1.00 0.25 C ATOM 2363 O GLU B 47 21.768 -4.631 -4.107 1.00 0.35 O ATOM 2364 CB GLU B 47 19.989 -7.121 -4.974 1.00 0.34 C ATOM 2365 CG GLU B 47 19.696 -8.607 -4.919 1.00 0.42 C ATOM 2366 CD GLU B 47 19.391 -9.179 -6.285 1.00 1.07 C ATOM 2367 OE1 GLU B 47 20.312 -9.230 -7.130 1.00 1.06 O ATOM 2368 OE2 GLU B 47 18.235 -9.581 -6.527 1.00 1.96 O ATOM 0 H GLU B 47 18.416 -7.047 -3.060 1.00 0.23 H new ATOM 0 HA GLU B 47 21.264 -7.006 -3.247 1.00 0.27 H new ATOM 0 HB2 GLU B 47 19.113 -6.602 -5.362 1.00 0.34 H new ATOM 0 HB3 GLU B 47 20.801 -6.946 -5.679 1.00 0.34 H new ATOM 0 HG2 GLU B 47 20.552 -9.129 -4.491 1.00 0.42 H new ATOM 0 HG3 GLU B 47 18.850 -8.785 -4.255 1.00 0.42 H new ATOM 2375 N PHE B 48 19.625 -4.221 -3.587 1.00 0.22 N ATOM 2376 CA PHE B 48 19.752 -2.780 -3.727 1.00 0.26 C ATOM 2377 C PHE B 48 19.739 -2.121 -2.355 1.00 0.26 C ATOM 2378 O PHE B 48 19.331 -0.971 -2.204 1.00 0.33 O ATOM 2379 CB PHE B 48 18.621 -2.231 -4.600 1.00 0.32 C ATOM 2380 CG PHE B 48 18.420 -3.009 -5.871 1.00 0.35 C ATOM 2381 CD1 PHE B 48 19.233 -2.790 -6.971 1.00 0.40 C ATOM 2382 CD2 PHE B 48 17.420 -3.962 -5.959 1.00 0.39 C ATOM 2383 CE1 PHE B 48 19.050 -3.508 -8.138 1.00 0.45 C ATOM 2384 CE2 PHE B 48 17.232 -4.683 -7.122 1.00 0.45 C ATOM 2385 CZ PHE B 48 18.048 -4.456 -8.213 1.00 0.46 C ATOM 0 H PHE B 48 18.693 -4.537 -3.319 1.00 0.22 H new ATOM 0 HA PHE B 48 20.701 -2.553 -4.213 1.00 0.26 H new ATOM 0 HB2 PHE B 48 17.693 -2.238 -4.028 1.00 0.32 H new ATOM 0 HB3 PHE B 48 18.835 -1.191 -4.848 1.00 0.32 H new ATOM 0 HD1 PHE B 48 20.018 -2.050 -6.916 1.00 0.40 H new ATOM 0 HD2 PHE B 48 16.780 -4.144 -5.109 1.00 0.39 H new ATOM 0 HE1 PHE B 48 19.689 -3.328 -8.990 1.00 0.45 H new ATOM 0 HE2 PHE B 48 16.448 -5.423 -7.178 1.00 0.45 H new ATOM 0 HZ PHE B 48 17.903 -5.019 -9.123 1.00 0.46 H new ATOM 2395 N CYS B 49 20.197 -2.863 -1.361 1.00 0.23 N ATOM 2396 CA CYS B 49 20.244 -2.371 0.003 1.00 0.28 C ATOM 2397 C CYS B 49 21.683 -2.288 0.492 1.00 0.30 C ATOM 2398 O CYS B 49 22.533 -3.086 0.092 1.00 0.38 O ATOM 2399 CB CYS B 49 19.430 -3.288 0.919 1.00 0.31 C ATOM 2400 SG CYS B 49 19.588 -2.914 2.680 1.00 1.17 S ATOM 0 H CYS B 49 20.544 -3.815 -1.476 1.00 0.23 H new ATOM 0 HA CYS B 49 19.812 -1.370 0.026 1.00 0.28 H new ATOM 0 HB2 CYS B 49 18.379 -3.221 0.639 1.00 0.31 H new ATOM 0 HB3 CYS B 49 19.740 -4.319 0.750 1.00 0.31 H new ATOM 0 HG CYS B 49 18.891 -1.854 2.963 1.00 1.17 H new ATOM 2406 N HIS B 50 21.949 -1.298 1.335 1.00 0.32 N ATOM 2407 CA HIS B 50 23.271 -1.099 1.912 1.00 0.38 C ATOM 2408 C HIS B 50 23.696 -2.355 2.670 1.00 0.32 C ATOM 2409 O HIS B 50 22.936 -2.864 3.490 1.00 0.31 O ATOM 2410 CB HIS B 50 23.232 0.107 2.853 1.00 0.54 C ATOM 2411 CG HIS B 50 24.568 0.694 3.188 1.00 0.41 C ATOM 2412 ND1 HIS B 50 24.881 1.144 4.448 1.00 1.06 N ATOM 2413 CD2 HIS B 50 25.654 0.946 2.419 1.00 1.18 C ATOM 2414 CE1 HIS B 50 26.099 1.650 4.443 1.00 0.87 C ATOM 2415 NE2 HIS B 50 26.592 1.541 3.223 1.00 1.08 N ATOM 0 H HIS B 50 21.256 -0.613 1.637 1.00 0.32 H new ATOM 0 HA HIS B 50 23.996 -0.910 1.121 1.00 0.38 H new ATOM 0 HB2 HIS B 50 22.615 0.883 2.399 1.00 0.54 H new ATOM 0 HB3 HIS B 50 22.740 -0.190 3.779 1.00 0.54 H new ATOM 0 HD1 HIS B 50 24.267 1.094 5.261 1.00 1.06 H new ATOM 0 HD2 HIS B 50 25.761 0.720 1.368 1.00 1.18 H new ATOM 0 HE1 HIS B 50 26.607 2.081 5.293 1.00 0.87 H new ATOM 2424 N PRO B 51 24.899 -2.877 2.385 1.00 0.35 N ATOM 2425 CA PRO B 51 25.434 -4.087 3.027 1.00 0.38 C ATOM 2426 C PRO B 51 25.240 -4.128 4.545 1.00 0.36 C ATOM 2427 O PRO B 51 24.752 -5.122 5.082 1.00 0.46 O ATOM 2428 CB PRO B 51 26.917 -4.028 2.677 1.00 0.47 C ATOM 2429 CG PRO B 51 26.952 -3.350 1.353 1.00 0.72 C ATOM 2430 CD PRO B 51 25.836 -2.342 1.375 1.00 0.44 C ATOM 0 HA PRO B 51 24.918 -4.981 2.678 1.00 0.38 H new ATOM 0 HB2 PRO B 51 27.481 -3.471 3.425 1.00 0.47 H new ATOM 0 HB3 PRO B 51 27.354 -5.025 2.626 1.00 0.47 H new ATOM 0 HG2 PRO B 51 27.914 -2.864 1.189 1.00 0.72 H new ATOM 0 HG3 PRO B 51 26.815 -4.067 0.544 1.00 0.72 H new ATOM 0 HD2 PRO B 51 26.197 -1.351 1.649 1.00 0.44 H new ATOM 0 HD3 PRO B 51 25.361 -2.249 0.398 1.00 0.44 H new ATOM 2438 N GLU B 52 25.603 -3.049 5.232 1.00 0.37 N ATOM 2439 CA GLU B 52 25.473 -2.988 6.691 1.00 0.38 C ATOM 2440 C GLU B 52 24.029 -2.761 7.138 1.00 0.37 C ATOM 2441 O GLU B 52 23.755 -2.631 8.332 1.00 0.40 O ATOM 2442 CB GLU B 52 26.359 -1.883 7.267 1.00 0.45 C ATOM 2443 CG GLU B 52 27.783 -1.903 6.745 1.00 0.78 C ATOM 2444 CD GLU B 52 27.982 -0.942 5.596 1.00 1.36 C ATOM 2445 OE1 GLU B 52 27.519 -1.242 4.476 1.00 2.04 O ATOM 2446 OE2 GLU B 52 28.590 0.127 5.813 1.00 1.70 O ATOM 0 H GLU B 52 25.989 -2.206 4.807 1.00 0.37 H new ATOM 0 HA GLU B 52 25.796 -3.957 7.072 1.00 0.38 H new ATOM 0 HB2 GLU B 52 25.912 -0.916 7.038 1.00 0.45 H new ATOM 0 HB3 GLU B 52 26.379 -1.976 8.353 1.00 0.45 H new ATOM 0 HG2 GLU B 52 28.468 -1.648 7.553 1.00 0.78 H new ATOM 0 HG3 GLU B 52 28.035 -2.912 6.420 1.00 0.78 H new ATOM 2453 N ASP B 53 23.111 -2.710 6.188 1.00 0.36 N ATOM 2454 CA ASP B 53 21.702 -2.502 6.499 1.00 0.37 C ATOM 2455 C ASP B 53 20.862 -3.660 5.978 1.00 0.38 C ATOM 2456 O ASP B 53 19.644 -3.690 6.161 1.00 0.42 O ATOM 2457 CB ASP B 53 21.205 -1.190 5.887 1.00 0.47 C ATOM 2458 CG ASP B 53 21.798 0.035 6.554 1.00 0.48 C ATOM 2459 OD1 ASP B 53 21.242 0.495 7.574 1.00 1.09 O ATOM 2460 OD2 ASP B 53 22.823 0.555 6.061 1.00 1.10 O ATOM 0 H ASP B 53 23.314 -2.810 5.193 1.00 0.36 H new ATOM 0 HA ASP B 53 21.600 -2.450 7.583 1.00 0.37 H new ATOM 0 HB2 ASP B 53 21.451 -1.174 4.825 1.00 0.47 H new ATOM 0 HB3 ASP B 53 20.118 -1.148 5.963 1.00 0.47 H new ATOM 2465 N GLN B 54 21.526 -4.622 5.343 1.00 0.41 N ATOM 2466 CA GLN B 54 20.847 -5.784 4.774 1.00 0.47 C ATOM 2467 C GLN B 54 20.238 -6.659 5.865 1.00 0.50 C ATOM 2468 O GLN B 54 19.150 -7.213 5.694 1.00 0.53 O ATOM 2469 CB GLN B 54 21.819 -6.597 3.915 1.00 0.56 C ATOM 2470 CG GLN B 54 22.187 -5.907 2.610 1.00 0.65 C ATOM 2471 CD GLN B 54 23.219 -6.673 1.804 1.00 0.69 C ATOM 2472 OE1 GLN B 54 24.074 -7.368 2.360 1.00 1.10 O ATOM 2473 NE2 GLN B 54 23.142 -6.551 0.490 1.00 0.80 N ATOM 0 H GLN B 54 22.537 -4.620 5.209 1.00 0.41 H new ATOM 0 HA GLN B 54 20.034 -5.425 4.143 1.00 0.47 H new ATOM 0 HB2 GLN B 54 22.727 -6.787 4.487 1.00 0.56 H new ATOM 0 HB3 GLN B 54 21.374 -7.567 3.693 1.00 0.56 H new ATOM 0 HG2 GLN B 54 21.288 -5.777 2.008 1.00 0.65 H new ATOM 0 HG3 GLN B 54 22.571 -4.911 2.828 1.00 0.65 H new ATOM 0 HE21 GLN B 54 22.418 -5.965 0.074 1.00 0.80 H new ATOM 0 HE22 GLN B 54 23.806 -7.043 -0.108 1.00 0.80 H new ATOM 2482 N GLN B 55 20.932 -6.774 6.990 1.00 0.54 N ATOM 2483 CA GLN B 55 20.442 -7.575 8.103 1.00 0.61 C ATOM 2484 C GLN B 55 19.221 -6.903 8.720 1.00 0.52 C ATOM 2485 O GLN B 55 18.247 -7.565 9.083 1.00 0.52 O ATOM 2486 CB GLN B 55 21.546 -7.763 9.148 1.00 0.76 C ATOM 2487 CG GLN B 55 21.117 -8.551 10.377 1.00 1.33 C ATOM 2488 CD GLN B 55 20.550 -9.918 10.046 1.00 1.73 C ATOM 2489 OE1 GLN B 55 20.907 -10.532 9.037 1.00 2.72 O ATOM 2490 NE2 GLN B 55 19.662 -10.403 10.898 1.00 1.51 N ATOM 0 H GLN B 55 21.833 -6.324 7.155 1.00 0.54 H new ATOM 0 HA GLN B 55 20.151 -8.560 7.737 1.00 0.61 H new ATOM 0 HB2 GLN B 55 22.389 -8.271 8.681 1.00 0.76 H new ATOM 0 HB3 GLN B 55 21.901 -6.782 9.465 1.00 0.76 H new ATOM 0 HG2 GLN B 55 21.974 -8.672 11.040 1.00 1.33 H new ATOM 0 HG3 GLN B 55 20.369 -7.978 10.924 1.00 1.33 H new ATOM 0 HE21 GLN B 55 19.395 -9.861 11.720 1.00 1.51 H new ATOM 0 HE22 GLN B 55 19.244 -11.319 10.733 1.00 1.51 H new ATOM 2499 N LEU B 56 19.281 -5.578 8.809 1.00 0.51 N ATOM 2500 CA LEU B 56 18.190 -4.783 9.358 1.00 0.51 C ATOM 2501 C LEU B 56 16.924 -4.983 8.530 1.00 0.42 C ATOM 2502 O LEU B 56 15.813 -5.024 9.067 1.00 0.42 O ATOM 2503 CB LEU B 56 18.581 -3.302 9.378 1.00 0.60 C ATOM 2504 CG LEU B 56 17.590 -2.368 10.074 1.00 0.63 C ATOM 2505 CD1 LEU B 56 17.498 -2.693 11.557 1.00 1.29 C ATOM 2506 CD2 LEU B 56 17.996 -0.916 9.865 1.00 1.42 C ATOM 0 H LEU B 56 20.084 -5.028 8.504 1.00 0.51 H new ATOM 0 HA LEU B 56 17.994 -5.110 10.379 1.00 0.51 H new ATOM 0 HB2 LEU B 56 19.549 -3.207 9.869 1.00 0.60 H new ATOM 0 HB3 LEU B 56 18.710 -2.965 8.350 1.00 0.60 H new ATOM 0 HG LEU B 56 16.605 -2.517 9.633 1.00 0.63 H new ATOM 0 HD11 LEU B 56 16.788 -2.018 12.034 1.00 1.29 H new ATOM 0 HD12 LEU B 56 17.161 -3.722 11.684 1.00 1.29 H new ATOM 0 HD13 LEU B 56 18.479 -2.573 12.017 1.00 1.29 H new ATOM 0 HD21 LEU B 56 17.282 -0.263 10.366 1.00 1.42 H new ATOM 0 HD22 LEU B 56 18.990 -0.753 10.281 1.00 1.42 H new ATOM 0 HD23 LEU B 56 18.007 -0.691 8.798 1.00 1.42 H new ATOM 2518 N LEU B 57 17.100 -5.111 7.219 1.00 0.40 N ATOM 2519 CA LEU B 57 15.980 -5.323 6.316 1.00 0.39 C ATOM 2520 C LEU B 57 15.328 -6.673 6.587 1.00 0.37 C ATOM 2521 O LEU B 57 14.113 -6.761 6.757 1.00 0.39 O ATOM 2522 CB LEU B 57 16.437 -5.254 4.856 1.00 0.48 C ATOM 2523 CG LEU B 57 15.876 -4.080 4.048 1.00 0.60 C ATOM 2524 CD1 LEU B 57 16.207 -4.248 2.574 1.00 1.01 C ATOM 2525 CD2 LEU B 57 14.371 -3.960 4.244 1.00 1.15 C ATOM 0 H LEU B 57 18.010 -5.071 6.760 1.00 0.40 H new ATOM 0 HA LEU B 57 15.251 -4.532 6.492 1.00 0.39 H new ATOM 0 HB2 LEU B 57 17.525 -5.200 4.836 1.00 0.48 H new ATOM 0 HB3 LEU B 57 16.154 -6.183 4.360 1.00 0.48 H new ATOM 0 HG LEU B 57 16.341 -3.162 4.408 1.00 0.60 H new ATOM 0 HD11 LEU B 57 15.802 -3.406 2.012 1.00 1.01 H new ATOM 0 HD12 LEU B 57 17.289 -4.283 2.446 1.00 1.01 H new ATOM 0 HD13 LEU B 57 15.768 -5.175 2.206 1.00 1.01 H new ATOM 0 HD21 LEU B 57 13.994 -3.120 3.661 1.00 1.15 H new ATOM 0 HD22 LEU B 57 13.887 -4.878 3.912 1.00 1.15 H new ATOM 0 HD23 LEU B 57 14.153 -3.796 5.299 1.00 1.15 H new ATOM 2537 N ARG B 58 16.148 -7.719 6.647 1.00 0.42 N ATOM 2538 CA ARG B 58 15.654 -9.069 6.898 1.00 0.50 C ATOM 2539 C ARG B 58 14.952 -9.139 8.252 1.00 0.44 C ATOM 2540 O ARG B 58 13.901 -9.767 8.386 1.00 0.44 O ATOM 2541 CB ARG B 58 16.802 -10.080 6.845 1.00 0.65 C ATOM 2542 CG ARG B 58 16.338 -11.526 6.900 1.00 1.08 C ATOM 2543 CD ARG B 58 17.509 -12.490 6.855 1.00 1.12 C ATOM 2544 NE ARG B 58 17.080 -13.882 6.970 1.00 1.90 N ATOM 2545 CZ ARG B 58 17.890 -14.883 7.306 1.00 2.21 C ATOM 2546 NH1 ARG B 58 19.177 -14.650 7.523 1.00 1.97 N ATOM 2547 NH2 ARG B 58 17.418 -16.117 7.419 1.00 3.01 N ATOM 0 H ARG B 58 17.159 -7.657 6.525 1.00 0.42 H new ATOM 0 HA ARG B 58 14.934 -9.320 6.119 1.00 0.50 H new ATOM 0 HB2 ARG B 58 17.371 -9.924 5.929 1.00 0.65 H new ATOM 0 HB3 ARG B 58 17.480 -9.892 7.678 1.00 0.65 H new ATOM 0 HG2 ARG B 58 15.765 -11.691 7.813 1.00 1.08 H new ATOM 0 HG3 ARG B 58 15.669 -11.726 6.063 1.00 1.08 H new ATOM 0 HD2 ARG B 58 18.053 -12.355 5.920 1.00 1.12 H new ATOM 0 HD3 ARG B 58 18.201 -12.257 7.664 1.00 1.12 H new ATOM 0 HE ARG B 58 16.101 -14.099 6.782 1.00 1.90 H new ATOM 0 HH11 ARG B 58 19.546 -13.704 7.432 1.00 1.97 H new ATOM 0 HH12 ARG B 58 19.798 -15.417 7.781 1.00 1.97 H new ATOM 0 HH21 ARG B 58 16.430 -16.303 7.248 1.00 3.01 H new ATOM 0 HH22 ARG B 58 18.043 -16.881 7.677 1.00 3.01 H new ATOM 2561 N ASP B 59 15.542 -8.488 9.248 1.00 0.42 N ATOM 2562 CA ASP B 59 14.975 -8.453 10.593 1.00 0.43 C ATOM 2563 C ASP B 59 13.582 -7.836 10.570 1.00 0.37 C ATOM 2564 O ASP B 59 12.623 -8.421 11.072 1.00 0.39 O ATOM 2565 CB ASP B 59 15.888 -7.656 11.528 1.00 0.49 C ATOM 2566 CG ASP B 59 15.198 -7.223 12.808 1.00 0.58 C ATOM 2567 OD1 ASP B 59 14.862 -8.096 13.637 1.00 0.76 O ATOM 2568 OD2 ASP B 59 15.015 -6.001 13.003 1.00 0.78 O ATOM 0 H ASP B 59 16.418 -7.974 9.149 1.00 0.42 H new ATOM 0 HA ASP B 59 14.895 -9.475 10.962 1.00 0.43 H new ATOM 0 HB2 ASP B 59 16.759 -8.262 11.779 1.00 0.49 H new ATOM 0 HB3 ASP B 59 16.254 -6.774 11.003 1.00 0.49 H new ATOM 2573 N SER B 60 13.477 -6.668 9.952 1.00 0.33 N ATOM 2574 CA SER B 60 12.206 -5.965 9.854 1.00 0.33 C ATOM 2575 C SER B 60 11.204 -6.763 9.020 1.00 0.28 C ATOM 2576 O SER B 60 10.008 -6.767 9.311 1.00 0.29 O ATOM 2577 CB SER B 60 12.422 -4.580 9.246 1.00 0.39 C ATOM 2578 OG SER B 60 13.466 -3.892 9.918 1.00 1.41 O ATOM 0 H SER B 60 14.260 -6.186 9.510 1.00 0.33 H new ATOM 0 HA SER B 60 11.795 -5.852 10.857 1.00 0.33 H new ATOM 0 HB2 SER B 60 12.666 -4.676 8.188 1.00 0.39 H new ATOM 0 HB3 SER B 60 11.500 -4.002 9.309 1.00 0.39 H new ATOM 0 HG SER B 60 14.332 -4.220 9.599 1.00 1.41 H new ATOM 2584 N PHE B 61 11.701 -7.444 7.993 1.00 0.30 N ATOM 2585 CA PHE B 61 10.854 -8.256 7.127 1.00 0.32 C ATOM 2586 C PHE B 61 10.180 -9.367 7.922 1.00 0.33 C ATOM 2587 O PHE B 61 8.970 -9.557 7.837 1.00 0.34 O ATOM 2588 CB PHE B 61 11.682 -8.859 5.990 1.00 0.39 C ATOM 2589 CG PHE B 61 11.570 -8.110 4.695 1.00 0.43 C ATOM 2590 CD1 PHE B 61 11.569 -6.724 4.674 1.00 0.62 C ATOM 2591 CD2 PHE B 61 11.467 -8.793 3.497 1.00 0.59 C ATOM 2592 CE1 PHE B 61 11.470 -6.036 3.481 1.00 0.70 C ATOM 2593 CE2 PHE B 61 11.369 -8.112 2.301 1.00 0.65 C ATOM 2594 CZ PHE B 61 11.370 -6.730 2.293 1.00 0.60 C ATOM 0 H PHE B 61 12.689 -7.450 7.740 1.00 0.30 H new ATOM 0 HA PHE B 61 10.083 -7.613 6.704 1.00 0.32 H new ATOM 0 HB2 PHE B 61 12.729 -8.889 6.292 1.00 0.39 H new ATOM 0 HB3 PHE B 61 11.367 -9.890 5.831 1.00 0.39 H new ATOM 0 HD1 PHE B 61 11.647 -6.176 5.601 1.00 0.62 H new ATOM 0 HD2 PHE B 61 11.463 -9.873 3.498 1.00 0.59 H new ATOM 0 HE1 PHE B 61 11.471 -4.956 3.478 1.00 0.70 H new ATOM 0 HE2 PHE B 61 11.292 -8.658 1.372 1.00 0.65 H new ATOM 0 HZ PHE B 61 11.293 -6.194 1.358 1.00 0.60 H new ATOM 2604 N GLN B 62 10.964 -10.087 8.711 1.00 0.35 N ATOM 2605 CA GLN B 62 10.429 -11.173 9.521 1.00 0.41 C ATOM 2606 C GLN B 62 9.484 -10.632 10.590 1.00 0.37 C ATOM 2607 O GLN B 62 8.453 -11.238 10.886 1.00 0.40 O ATOM 2608 CB GLN B 62 11.561 -11.965 10.174 1.00 0.52 C ATOM 2609 CG GLN B 62 12.416 -12.736 9.179 1.00 0.79 C ATOM 2610 CD GLN B 62 11.634 -13.790 8.415 1.00 1.44 C ATOM 2611 OE1 GLN B 62 11.902 -14.052 7.244 1.00 2.08 O ATOM 2612 NE2 GLN B 62 10.676 -14.418 9.076 1.00 2.12 N ATOM 0 H GLN B 62 11.969 -9.940 8.808 1.00 0.35 H new ATOM 0 HA GLN B 62 9.869 -11.840 8.866 1.00 0.41 H new ATOM 0 HB2 GLN B 62 12.198 -11.279 10.733 1.00 0.52 H new ATOM 0 HB3 GLN B 62 11.136 -12.664 10.894 1.00 0.52 H new ATOM 0 HG2 GLN B 62 12.859 -12.036 8.471 1.00 0.79 H new ATOM 0 HG3 GLN B 62 13.238 -13.216 9.710 1.00 0.79 H new ATOM 0 HE21 GLN B 62 10.482 -14.174 10.047 1.00 2.12 H new ATOM 0 HE22 GLN B 62 10.131 -15.147 8.615 1.00 2.12 H new ATOM 2621 N GLN B 63 9.829 -9.479 11.148 1.00 0.34 N ATOM 2622 CA GLN B 63 9.015 -8.857 12.182 1.00 0.36 C ATOM 2623 C GLN B 63 7.649 -8.437 11.644 1.00 0.29 C ATOM 2624 O GLN B 63 6.627 -8.665 12.293 1.00 0.32 O ATOM 2625 CB GLN B 63 9.735 -7.649 12.780 1.00 0.44 C ATOM 2626 CG GLN B 63 10.903 -8.022 13.678 1.00 0.66 C ATOM 2627 CD GLN B 63 11.379 -6.861 14.525 1.00 0.76 C ATOM 2628 OE1 GLN B 63 10.590 -6.007 14.930 1.00 1.33 O ATOM 2629 NE2 GLN B 63 12.671 -6.810 14.785 1.00 1.23 N ATOM 0 H GLN B 63 10.669 -8.955 10.901 1.00 0.34 H new ATOM 0 HA GLN B 63 8.857 -9.600 12.964 1.00 0.36 H new ATOM 0 HB2 GLN B 63 10.097 -7.015 11.971 1.00 0.44 H new ATOM 0 HB3 GLN B 63 9.021 -7.058 13.353 1.00 0.44 H new ATOM 0 HG2 GLN B 63 10.608 -8.845 14.329 1.00 0.66 H new ATOM 0 HG3 GLN B 63 11.729 -8.382 13.064 1.00 0.66 H new ATOM 0 HE21 GLN B 63 13.292 -7.538 14.431 1.00 1.23 H new ATOM 0 HE22 GLN B 63 13.050 -6.043 15.340 1.00 1.23 H new ATOM 2638 N VAL B 64 7.620 -7.839 10.456 1.00 0.26 N ATOM 2639 CA VAL B 64 6.357 -7.404 9.870 1.00 0.26 C ATOM 2640 C VAL B 64 5.483 -8.609 9.515 1.00 0.26 C ATOM 2641 O VAL B 64 4.254 -8.533 9.578 1.00 0.28 O ATOM 2642 CB VAL B 64 6.560 -6.491 8.633 1.00 0.28 C ATOM 2643 CG1 VAL B 64 6.978 -7.283 7.401 1.00 0.31 C ATOM 2644 CG2 VAL B 64 5.297 -5.690 8.356 1.00 0.30 C ATOM 0 H VAL B 64 8.445 -7.647 9.887 1.00 0.26 H new ATOM 0 HA VAL B 64 5.845 -6.807 10.625 1.00 0.26 H new ATOM 0 HB VAL B 64 7.373 -5.802 8.862 1.00 0.28 H new ATOM 0 HG11 VAL B 64 7.109 -6.604 6.559 1.00 0.31 H new ATOM 0 HG12 VAL B 64 7.918 -7.798 7.601 1.00 0.31 H new ATOM 0 HG13 VAL B 64 6.207 -8.015 7.160 1.00 0.31 H new ATOM 0 HG21 VAL B 64 5.454 -5.053 7.485 1.00 0.30 H new ATOM 0 HG22 VAL B 64 4.469 -6.372 8.163 1.00 0.30 H new ATOM 0 HG23 VAL B 64 5.062 -5.070 9.221 1.00 0.30 H new ATOM 2654 N VAL B 65 6.123 -9.729 9.173 1.00 0.29 N ATOM 2655 CA VAL B 65 5.406 -10.955 8.834 1.00 0.33 C ATOM 2656 C VAL B 65 4.720 -11.510 10.079 1.00 0.37 C ATOM 2657 O VAL B 65 3.638 -12.097 10.006 1.00 0.45 O ATOM 2658 CB VAL B 65 6.358 -12.019 8.233 1.00 0.40 C ATOM 2659 CG1 VAL B 65 5.695 -13.388 8.169 1.00 0.48 C ATOM 2660 CG2 VAL B 65 6.814 -11.595 6.847 1.00 0.39 C ATOM 0 H VAL B 65 7.139 -9.810 9.124 1.00 0.29 H new ATOM 0 HA VAL B 65 4.657 -10.714 8.080 1.00 0.33 H new ATOM 0 HB VAL B 65 7.226 -12.096 8.888 1.00 0.40 H new ATOM 0 HG11 VAL B 65 6.391 -14.110 7.742 1.00 0.48 H new ATOM 0 HG12 VAL B 65 5.415 -13.704 9.174 1.00 0.48 H new ATOM 0 HG13 VAL B 65 4.803 -13.332 7.545 1.00 0.48 H new ATOM 0 HG21 VAL B 65 7.482 -12.352 6.437 1.00 0.39 H new ATOM 0 HG22 VAL B 65 5.946 -11.486 6.196 1.00 0.39 H new ATOM 0 HG23 VAL B 65 7.341 -10.643 6.913 1.00 0.39 H new ATOM 2670 N LYS B 66 5.355 -11.302 11.225 1.00 0.37 N ATOM 2671 CA LYS B 66 4.813 -11.754 12.500 1.00 0.45 C ATOM 2672 C LYS B 66 3.671 -10.845 12.943 1.00 0.41 C ATOM 2673 O LYS B 66 2.766 -11.271 13.662 1.00 0.49 O ATOM 2674 CB LYS B 66 5.906 -11.771 13.568 1.00 0.57 C ATOM 2675 CG LYS B 66 6.958 -12.846 13.348 1.00 0.74 C ATOM 2676 CD LYS B 66 8.109 -12.711 14.332 1.00 0.67 C ATOM 2677 CE LYS B 66 7.636 -12.875 15.767 1.00 1.44 C ATOM 2678 NZ LYS B 66 8.723 -12.601 16.741 1.00 2.19 N ATOM 0 H LYS B 66 6.251 -10.820 11.298 1.00 0.37 H new ATOM 0 HA LYS B 66 4.430 -12.766 12.371 1.00 0.45 H new ATOM 0 HB2 LYS B 66 6.394 -10.797 13.591 1.00 0.57 H new ATOM 0 HB3 LYS B 66 5.445 -11.920 14.545 1.00 0.57 H new ATOM 0 HG2 LYS B 66 6.501 -13.830 13.454 1.00 0.74 H new ATOM 0 HG3 LYS B 66 7.340 -12.780 12.329 1.00 0.74 H new ATOM 0 HD2 LYS B 66 8.869 -13.460 14.110 1.00 0.67 H new ATOM 0 HD3 LYS B 66 8.579 -11.735 14.212 1.00 0.67 H new ATOM 0 HE2 LYS B 66 6.802 -12.199 15.954 1.00 1.44 H new ATOM 0 HE3 LYS B 66 7.264 -13.889 15.913 1.00 1.44 H new ATOM 0 HZ1 LYS B 66 8.361 -12.723 17.708 1.00 2.19 H new ATOM 0 HZ2 LYS B 66 9.509 -13.262 16.579 1.00 2.19 H new ATOM 0 HZ3 LYS B 66 9.061 -11.625 16.619 1.00 2.19 H new ATOM 2692 N LEU B 67 3.731 -9.588 12.515 1.00 0.39 N ATOM 2693 CA LEU B 67 2.706 -8.610 12.852 1.00 0.43 C ATOM 2694 C LEU B 67 1.415 -8.906 12.096 1.00 0.62 C ATOM 2695 O LEU B 67 0.381 -9.153 12.710 1.00 1.30 O ATOM 2696 CB LEU B 67 3.189 -7.193 12.528 1.00 0.59 C ATOM 2697 CG LEU B 67 4.346 -6.686 13.392 1.00 0.54 C ATOM 2698 CD1 LEU B 67 4.839 -5.340 12.886 1.00 0.74 C ATOM 2699 CD2 LEU B 67 3.922 -6.580 14.849 1.00 0.79 C ATOM 0 H LEU B 67 4.483 -9.223 11.931 1.00 0.39 H new ATOM 0 HA LEU B 67 2.509 -8.678 13.922 1.00 0.43 H new ATOM 0 HB2 LEU B 67 3.496 -7.161 11.483 1.00 0.59 H new ATOM 0 HB3 LEU B 67 2.349 -6.507 12.635 1.00 0.59 H new ATOM 0 HG LEU B 67 5.163 -7.404 13.322 1.00 0.54 H new ATOM 0 HD11 LEU B 67 5.662 -4.995 13.512 1.00 0.74 H new ATOM 0 HD12 LEU B 67 5.184 -5.442 11.857 1.00 0.74 H new ATOM 0 HD13 LEU B 67 4.025 -4.616 12.925 1.00 0.74 H new ATOM 0 HD21 LEU B 67 4.759 -6.218 15.446 1.00 0.79 H new ATOM 0 HD22 LEU B 67 3.087 -5.885 14.935 1.00 0.79 H new ATOM 0 HD23 LEU B 67 3.616 -7.561 15.211 1.00 0.79 H new ATOM 2711 N LYS B 68 1.499 -8.885 10.764 1.00 0.48 N ATOM 2712 CA LYS B 68 0.351 -9.152 9.889 1.00 0.55 C ATOM 2713 C LYS B 68 -0.725 -8.076 10.021 1.00 0.47 C ATOM 2714 O LYS B 68 -1.293 -7.864 11.093 1.00 0.50 O ATOM 2715 CB LYS B 68 -0.243 -10.529 10.175 1.00 0.69 C ATOM 2716 CG LYS B 68 0.543 -11.669 9.559 1.00 0.56 C ATOM 2717 CD LYS B 68 0.227 -12.980 10.249 1.00 0.67 C ATOM 2718 CE LYS B 68 0.479 -14.168 9.342 1.00 0.69 C ATOM 2719 NZ LYS B 68 -0.148 -15.400 9.879 1.00 1.04 N ATOM 0 H LYS B 68 2.363 -8.683 10.260 1.00 0.48 H new ATOM 0 HA LYS B 68 0.718 -9.134 8.863 1.00 0.55 H new ATOM 0 HB2 LYS B 68 -0.295 -10.676 11.254 1.00 0.69 H new ATOM 0 HB3 LYS B 68 -1.266 -10.559 9.799 1.00 0.69 H new ATOM 0 HG2 LYS B 68 0.307 -11.746 8.498 1.00 0.56 H new ATOM 0 HG3 LYS B 68 1.611 -11.462 9.634 1.00 0.56 H new ATOM 0 HD2 LYS B 68 0.836 -13.074 11.148 1.00 0.67 H new ATOM 0 HD3 LYS B 68 -0.815 -12.981 10.568 1.00 0.67 H new ATOM 0 HE2 LYS B 68 0.083 -13.960 8.348 1.00 0.69 H new ATOM 0 HE3 LYS B 68 1.552 -14.322 9.231 1.00 0.69 H new ATOM 0 HZ1 LYS B 68 0.071 -16.202 9.254 1.00 1.04 H new ATOM 0 HZ2 LYS B 68 0.224 -15.592 10.831 1.00 1.04 H new ATOM 0 HZ3 LYS B 68 -1.179 -15.271 9.929 1.00 1.04 H new ATOM 2733 N GLY B 69 -1.009 -7.403 8.916 1.00 0.50 N ATOM 2734 CA GLY B 69 -2.004 -6.352 8.928 1.00 0.59 C ATOM 2735 C GLY B 69 -1.480 -5.104 9.599 1.00 0.54 C ATOM 2736 O GLY B 69 -2.247 -4.239 10.021 1.00 0.57 O ATOM 0 H GLY B 69 -0.568 -7.566 8.011 1.00 0.50 H new ATOM 0 HA2 GLY B 69 -2.302 -6.119 7.906 1.00 0.59 H new ATOM 0 HA3 GLY B 69 -2.896 -6.700 9.449 1.00 0.59 H new ATOM 2740 N GLN B 70 -0.163 -5.017 9.693 1.00 0.50 N ATOM 2741 CA GLN B 70 0.489 -3.882 10.314 1.00 0.46 C ATOM 2742 C GLN B 70 1.625 -3.390 9.430 1.00 0.38 C ATOM 2743 O GLN B 70 2.155 -4.145 8.614 1.00 0.37 O ATOM 2744 CB GLN B 70 1.019 -4.275 11.698 1.00 0.50 C ATOM 2745 CG GLN B 70 1.269 -3.093 12.621 1.00 1.31 C ATOM 2746 CD GLN B 70 0.114 -2.114 12.626 1.00 1.89 C ATOM 2747 OE1 GLN B 70 0.076 -1.178 11.828 1.00 2.68 O ATOM 2748 NE2 GLN B 70 -0.839 -2.326 13.517 1.00 2.32 N ATOM 0 H GLN B 70 0.479 -5.728 9.342 1.00 0.50 H new ATOM 0 HA GLN B 70 -0.234 -3.076 10.435 1.00 0.46 H new ATOM 0 HB2 GLN B 70 0.305 -4.949 12.172 1.00 0.50 H new ATOM 0 HB3 GLN B 70 1.949 -4.831 11.576 1.00 0.50 H new ATOM 0 HG2 GLN B 70 1.439 -3.456 13.635 1.00 1.31 H new ATOM 0 HG3 GLN B 70 2.178 -2.578 12.310 1.00 1.31 H new ATOM 0 HE21 GLN B 70 -0.769 -3.114 14.161 1.00 2.32 H new ATOM 0 HE22 GLN B 70 -1.644 -1.702 13.561 1.00 2.32 H new ATOM 2757 N VAL B 71 1.982 -2.127 9.585 1.00 0.36 N ATOM 2758 CA VAL B 71 3.054 -1.540 8.805 1.00 0.32 C ATOM 2759 C VAL B 71 4.302 -1.359 9.665 1.00 0.31 C ATOM 2760 O VAL B 71 4.223 -0.923 10.814 1.00 0.39 O ATOM 2761 CB VAL B 71 2.629 -0.184 8.185 1.00 0.38 C ATOM 2762 CG1 VAL B 71 2.276 0.836 9.260 1.00 1.28 C ATOM 2763 CG2 VAL B 71 3.714 0.355 7.265 1.00 1.35 C ATOM 0 H VAL B 71 1.542 -1.487 10.247 1.00 0.36 H new ATOM 0 HA VAL B 71 3.282 -2.225 7.988 1.00 0.32 H new ATOM 0 HB VAL B 71 1.733 -0.361 7.591 1.00 0.38 H new ATOM 0 HG11 VAL B 71 1.983 1.774 8.789 1.00 1.28 H new ATOM 0 HG12 VAL B 71 1.450 0.459 9.862 1.00 1.28 H new ATOM 0 HG13 VAL B 71 3.143 1.006 9.899 1.00 1.28 H new ATOM 0 HG21 VAL B 71 3.393 1.307 6.842 1.00 1.35 H new ATOM 0 HG22 VAL B 71 4.633 0.502 7.833 1.00 1.35 H new ATOM 0 HG23 VAL B 71 3.895 -0.357 6.460 1.00 1.35 H new ATOM 2773 N LEU B 72 5.444 -1.739 9.116 1.00 0.27 N ATOM 2774 CA LEU B 72 6.713 -1.608 9.808 1.00 0.29 C ATOM 2775 C LEU B 72 7.697 -0.852 8.928 1.00 0.31 C ATOM 2776 O LEU B 72 8.164 -1.370 7.909 1.00 0.44 O ATOM 2777 CB LEU B 72 7.275 -2.984 10.176 1.00 0.35 C ATOM 2778 CG LEU B 72 8.353 -2.976 11.262 1.00 0.44 C ATOM 2779 CD1 LEU B 72 7.765 -2.538 12.594 1.00 1.37 C ATOM 2780 CD2 LEU B 72 8.993 -4.348 11.388 1.00 1.05 C ATOM 0 H LEU B 72 5.516 -2.145 8.183 1.00 0.27 H new ATOM 0 HA LEU B 72 6.555 -1.051 10.731 1.00 0.29 H new ATOM 0 HB2 LEU B 72 6.453 -3.618 10.507 1.00 0.35 H new ATOM 0 HB3 LEU B 72 7.689 -3.442 9.278 1.00 0.35 H new ATOM 0 HG LEU B 72 9.125 -2.262 10.975 1.00 0.44 H new ATOM 0 HD11 LEU B 72 8.546 -2.538 13.354 1.00 1.37 H new ATOM 0 HD12 LEU B 72 7.353 -1.533 12.497 1.00 1.37 H new ATOM 0 HD13 LEU B 72 6.973 -3.228 12.887 1.00 1.37 H new ATOM 0 HD21 LEU B 72 9.757 -4.323 12.165 1.00 1.05 H new ATOM 0 HD22 LEU B 72 8.231 -5.082 11.651 1.00 1.05 H new ATOM 0 HD23 LEU B 72 9.450 -4.625 10.438 1.00 1.05 H new ATOM 2792 N SER B 73 7.985 0.379 9.307 1.00 0.27 N ATOM 2793 CA SER B 73 8.901 1.219 8.554 1.00 0.33 C ATOM 2794 C SER B 73 10.328 1.076 9.069 1.00 0.28 C ATOM 2795 O SER B 73 10.588 1.241 10.261 1.00 0.31 O ATOM 2796 CB SER B 73 8.459 2.679 8.642 1.00 0.48 C ATOM 2797 OG SER B 73 7.062 2.800 8.422 1.00 1.38 O ATOM 0 H SER B 73 7.595 0.823 10.138 1.00 0.27 H new ATOM 0 HA SER B 73 8.882 0.896 7.513 1.00 0.33 H new ATOM 0 HB2 SER B 73 8.713 3.081 9.623 1.00 0.48 H new ATOM 0 HB3 SER B 73 9.000 3.272 7.904 1.00 0.48 H new ATOM 0 HG SER B 73 6.788 3.730 8.563 1.00 1.38 H new ATOM 2803 N VAL B 74 11.243 0.760 8.165 1.00 0.29 N ATOM 2804 CA VAL B 74 12.646 0.610 8.511 1.00 0.28 C ATOM 2805 C VAL B 74 13.475 1.666 7.780 1.00 0.23 C ATOM 2806 O VAL B 74 13.351 1.836 6.566 1.00 0.24 O ATOM 2807 CB VAL B 74 13.160 -0.815 8.183 1.00 0.34 C ATOM 2808 CG1 VAL B 74 12.834 -1.207 6.750 1.00 0.35 C ATOM 2809 CG2 VAL B 74 14.654 -0.929 8.443 1.00 0.41 C ATOM 0 H VAL B 74 11.035 0.602 7.179 1.00 0.29 H new ATOM 0 HA VAL B 74 12.752 0.755 9.586 1.00 0.28 H new ATOM 0 HB VAL B 74 12.643 -1.510 8.845 1.00 0.34 H new ATOM 0 HG11 VAL B 74 13.208 -2.212 6.553 1.00 0.35 H new ATOM 0 HG12 VAL B 74 11.754 -1.187 6.604 1.00 0.35 H new ATOM 0 HG13 VAL B 74 13.306 -0.503 6.064 1.00 0.35 H new ATOM 0 HG21 VAL B 74 14.989 -1.939 8.205 1.00 0.41 H new ATOM 0 HG22 VAL B 74 15.188 -0.213 7.818 1.00 0.41 H new ATOM 0 HG23 VAL B 74 14.858 -0.717 9.493 1.00 0.41 H new ATOM 2819 N MET B 75 14.293 2.395 8.523 1.00 0.21 N ATOM 2820 CA MET B 75 15.121 3.439 7.937 1.00 0.20 C ATOM 2821 C MET B 75 16.551 2.956 7.735 1.00 0.20 C ATOM 2822 O MET B 75 17.254 2.633 8.694 1.00 0.24 O ATOM 2823 CB MET B 75 15.107 4.689 8.817 1.00 0.26 C ATOM 2824 CG MET B 75 15.770 5.895 8.170 1.00 0.29 C ATOM 2825 SD MET B 75 15.630 7.387 9.175 1.00 0.41 S ATOM 2826 CE MET B 75 16.551 8.558 8.180 1.00 0.41 C ATOM 0 H MET B 75 14.402 2.284 9.531 1.00 0.21 H new ATOM 0 HA MET B 75 14.704 3.689 6.961 1.00 0.20 H new ATOM 0 HB2 MET B 75 14.075 4.940 9.062 1.00 0.26 H new ATOM 0 HB3 MET B 75 15.612 4.467 9.757 1.00 0.26 H new ATOM 0 HG2 MET B 75 16.824 5.676 7.996 1.00 0.29 H new ATOM 0 HG3 MET B 75 15.317 6.074 7.195 1.00 0.29 H new ATOM 0 HE1 MET B 75 16.337 9.571 8.520 1.00 0.41 H new ATOM 0 HE2 MET B 75 17.618 8.360 8.279 1.00 0.41 H new ATOM 0 HE3 MET B 75 16.259 8.456 7.135 1.00 0.41 H new ATOM 2836 N PHE B 76 16.972 2.907 6.483 1.00 0.21 N ATOM 2837 CA PHE B 76 18.313 2.468 6.137 1.00 0.23 C ATOM 2838 C PHE B 76 18.784 3.178 4.871 1.00 0.22 C ATOM 2839 O PHE B 76 18.147 4.126 4.412 1.00 0.21 O ATOM 2840 CB PHE B 76 18.344 0.945 5.947 1.00 0.26 C ATOM 2841 CG PHE B 76 17.431 0.436 4.864 1.00 0.27 C ATOM 2842 CD1 PHE B 76 16.096 0.178 5.127 1.00 0.31 C ATOM 2843 CD2 PHE B 76 17.913 0.213 3.584 1.00 0.31 C ATOM 2844 CE1 PHE B 76 15.259 -0.290 4.133 1.00 0.37 C ATOM 2845 CE2 PHE B 76 17.080 -0.256 2.587 1.00 0.36 C ATOM 2846 CZ PHE B 76 15.752 -0.508 2.861 1.00 0.38 C ATOM 0 H PHE B 76 16.398 3.169 5.682 1.00 0.21 H new ATOM 0 HA PHE B 76 18.990 2.724 6.952 1.00 0.23 H new ATOM 0 HB2 PHE B 76 19.365 0.640 5.718 1.00 0.26 H new ATOM 0 HB3 PHE B 76 18.073 0.468 6.889 1.00 0.26 H new ATOM 0 HD1 PHE B 76 15.705 0.345 6.120 1.00 0.31 H new ATOM 0 HD2 PHE B 76 18.952 0.408 3.363 1.00 0.31 H new ATOM 0 HE1 PHE B 76 14.219 -0.485 4.350 1.00 0.37 H new ATOM 0 HE2 PHE B 76 17.468 -0.425 1.594 1.00 0.36 H new ATOM 0 HZ PHE B 76 15.099 -0.875 2.083 1.00 0.38 H new ATOM 2856 N ARG B 77 19.899 2.731 4.317 1.00 0.25 N ATOM 2857 CA ARG B 77 20.429 3.328 3.103 1.00 0.25 C ATOM 2858 C ARG B 77 20.158 2.422 1.907 1.00 0.23 C ATOM 2859 O ARG B 77 20.590 1.270 1.872 1.00 0.26 O ATOM 2860 CB ARG B 77 21.925 3.612 3.254 1.00 0.30 C ATOM 2861 CG ARG B 77 22.219 4.982 3.848 1.00 0.48 C ATOM 2862 CD ARG B 77 23.678 5.123 4.255 1.00 0.63 C ATOM 2863 NE ARG B 77 23.938 4.540 5.574 1.00 1.50 N ATOM 2864 CZ ARG B 77 25.093 4.662 6.228 1.00 1.87 C ATOM 2865 NH1 ARG B 77 26.099 5.335 5.683 1.00 1.59 N ATOM 2866 NH2 ARG B 77 25.238 4.108 7.426 1.00 2.97 N ATOM 0 H ARG B 77 20.453 1.959 4.688 1.00 0.25 H new ATOM 0 HA ARG B 77 19.924 4.278 2.929 1.00 0.25 H new ATOM 0 HB2 ARG B 77 22.372 2.845 3.887 1.00 0.30 H new ATOM 0 HB3 ARG B 77 22.403 3.537 2.277 1.00 0.30 H new ATOM 0 HG2 ARG B 77 21.969 5.754 3.121 1.00 0.48 H new ATOM 0 HG3 ARG B 77 21.582 5.145 4.718 1.00 0.48 H new ATOM 0 HD2 ARG B 77 24.310 4.636 3.512 1.00 0.63 H new ATOM 0 HD3 ARG B 77 23.952 6.178 4.264 1.00 0.63 H new ATOM 0 HE ARG B 77 23.190 4.008 6.019 1.00 1.50 H new ATOM 0 HH11 ARG B 77 25.989 5.760 4.762 1.00 1.59 H new ATOM 0 HH12 ARG B 77 26.982 5.427 6.185 1.00 1.59 H new ATOM 0 HH21 ARG B 77 24.466 3.590 7.845 1.00 2.97 H new ATOM 0 HH22 ARG B 77 26.121 4.201 7.927 1.00 2.97 H new ATOM 2880 N PHE B 78 19.428 2.952 0.941 1.00 0.24 N ATOM 2881 CA PHE B 78 19.065 2.205 -0.254 1.00 0.23 C ATOM 2882 C PHE B 78 19.983 2.574 -1.413 1.00 0.21 C ATOM 2883 O PHE B 78 20.453 3.709 -1.505 1.00 0.22 O ATOM 2884 CB PHE B 78 17.607 2.500 -0.623 1.00 0.27 C ATOM 2885 CG PHE B 78 16.940 1.412 -1.422 1.00 0.27 C ATOM 2886 CD1 PHE B 78 16.330 0.345 -0.785 1.00 0.34 C ATOM 2887 CD2 PHE B 78 16.916 1.461 -2.808 1.00 0.33 C ATOM 2888 CE1 PHE B 78 15.711 -0.654 -1.512 1.00 0.37 C ATOM 2889 CE2 PHE B 78 16.297 0.466 -3.541 1.00 0.37 C ATOM 2890 CZ PHE B 78 15.694 -0.593 -2.891 1.00 0.33 C ATOM 0 H PHE B 78 19.071 3.907 0.961 1.00 0.24 H new ATOM 0 HA PHE B 78 19.177 1.140 -0.052 1.00 0.23 H new ATOM 0 HB2 PHE B 78 17.038 2.664 0.292 1.00 0.27 H new ATOM 0 HB3 PHE B 78 17.569 3.429 -1.192 1.00 0.27 H new ATOM 0 HD1 PHE B 78 16.338 0.293 0.294 1.00 0.34 H new ATOM 0 HD2 PHE B 78 17.387 2.287 -3.321 1.00 0.33 H new ATOM 0 HE1 PHE B 78 15.241 -1.482 -1.002 1.00 0.37 H new ATOM 0 HE2 PHE B 78 16.285 0.517 -4.620 1.00 0.37 H new ATOM 0 HZ PHE B 78 15.210 -1.372 -3.461 1.00 0.33 H new ATOM 2900 N ARG B 79 20.239 1.613 -2.289 1.00 0.25 N ATOM 2901 CA ARG B 79 21.097 1.838 -3.441 1.00 0.26 C ATOM 2902 C ARG B 79 20.323 2.526 -4.558 1.00 0.26 C ATOM 2903 O ARG B 79 19.388 1.961 -5.121 1.00 0.36 O ATOM 2904 CB ARG B 79 21.684 0.517 -3.949 1.00 0.36 C ATOM 2905 CG ARG B 79 22.541 0.664 -5.200 1.00 0.33 C ATOM 2906 CD ARG B 79 23.228 -0.642 -5.563 1.00 0.56 C ATOM 2907 NE ARG B 79 23.128 -0.941 -6.992 1.00 1.04 N ATOM 2908 CZ ARG B 79 23.146 -2.176 -7.497 1.00 1.28 C ATOM 2909 NH1 ARG B 79 23.318 -3.226 -6.704 1.00 1.06 N ATOM 2910 NH2 ARG B 79 23.016 -2.364 -8.803 1.00 2.22 N ATOM 0 H ARG B 79 19.863 0.667 -2.222 1.00 0.25 H new ATOM 0 HA ARG B 79 21.916 2.486 -3.129 1.00 0.26 H new ATOM 0 HB2 ARG B 79 22.286 0.070 -3.158 1.00 0.36 H new ATOM 0 HB3 ARG B 79 20.868 -0.175 -4.158 1.00 0.36 H new ATOM 0 HG2 ARG B 79 21.918 0.992 -6.032 1.00 0.33 H new ATOM 0 HG3 ARG B 79 23.291 1.438 -5.039 1.00 0.33 H new ATOM 0 HD2 ARG B 79 24.279 -0.589 -5.277 1.00 0.56 H new ATOM 0 HD3 ARG B 79 22.782 -1.456 -4.991 1.00 0.56 H new ATOM 0 HE ARG B 79 23.039 -0.159 -7.641 1.00 1.04 H new ATOM 0 HH11 ARG B 79 23.438 -3.093 -5.700 1.00 1.06 H new ATOM 0 HH12 ARG B 79 23.330 -4.167 -7.099 1.00 1.06 H new ATOM 0 HH21 ARG B 79 22.902 -1.563 -9.425 1.00 2.22 H new ATOM 0 HH22 ARG B 79 23.030 -3.309 -9.186 1.00 2.22 H new ATOM 2924 N SER B 80 20.712 3.751 -4.854 1.00 0.25 N ATOM 2925 CA SER B 80 20.088 4.528 -5.909 1.00 0.33 C ATOM 2926 C SER B 80 20.630 4.081 -7.265 1.00 0.32 C ATOM 2927 O SER B 80 21.586 3.304 -7.327 1.00 0.32 O ATOM 2928 CB SER B 80 20.370 6.017 -5.671 1.00 0.46 C ATOM 2929 OG SER B 80 20.188 6.790 -6.845 1.00 1.06 O ATOM 0 H SER B 80 21.468 4.236 -4.371 1.00 0.25 H new ATOM 0 HA SER B 80 19.010 4.369 -5.903 1.00 0.33 H new ATOM 0 HB2 SER B 80 19.711 6.389 -4.887 1.00 0.46 H new ATOM 0 HB3 SER B 80 21.392 6.139 -5.312 1.00 0.46 H new ATOM 0 HG SER B 80 20.376 7.732 -6.649 1.00 1.06 H new ATOM 2935 N LYS B 81 20.024 4.565 -8.348 1.00 0.35 N ATOM 2936 CA LYS B 81 20.469 4.218 -9.691 1.00 0.37 C ATOM 2937 C LYS B 81 21.891 4.726 -9.907 1.00 0.40 C ATOM 2938 O LYS B 81 22.646 4.186 -10.714 1.00 0.48 O ATOM 2939 CB LYS B 81 19.522 4.811 -10.740 1.00 0.41 C ATOM 2940 CG LYS B 81 19.770 4.295 -12.149 1.00 0.45 C ATOM 2941 CD LYS B 81 19.726 2.776 -12.200 1.00 0.47 C ATOM 2942 CE LYS B 81 20.346 2.247 -13.481 1.00 0.67 C ATOM 2943 NZ LYS B 81 20.531 0.775 -13.441 1.00 1.69 N ATOM 0 H LYS B 81 19.225 5.198 -8.319 1.00 0.35 H new ATOM 0 HA LYS B 81 20.459 3.133 -9.800 1.00 0.37 H new ATOM 0 HB2 LYS B 81 18.494 4.587 -10.456 1.00 0.41 H new ATOM 0 HB3 LYS B 81 19.624 5.896 -10.737 1.00 0.41 H new ATOM 0 HG2 LYS B 81 19.020 4.705 -12.825 1.00 0.45 H new ATOM 0 HG3 LYS B 81 20.741 4.644 -12.500 1.00 0.45 H new ATOM 0 HD2 LYS B 81 20.257 2.366 -11.341 1.00 0.47 H new ATOM 0 HD3 LYS B 81 18.692 2.438 -12.127 1.00 0.47 H new ATOM 0 HE2 LYS B 81 19.711 2.510 -14.327 1.00 0.67 H new ATOM 0 HE3 LYS B 81 21.310 2.729 -13.644 1.00 0.67 H new ATOM 0 HZ1 LYS B 81 21.353 0.512 -14.022 1.00 1.69 H new ATOM 0 HZ2 LYS B 81 20.690 0.472 -12.459 1.00 1.69 H new ATOM 0 HZ3 LYS B 81 19.680 0.308 -13.814 1.00 1.69 H new ATOM 2957 N ASN B 82 22.255 5.751 -9.144 1.00 0.39 N ATOM 2958 CA ASN B 82 23.587 6.344 -9.221 1.00 0.45 C ATOM 2959 C ASN B 82 24.577 5.512 -8.411 1.00 0.43 C ATOM 2960 O ASN B 82 25.733 5.900 -8.241 1.00 0.50 O ATOM 2961 CB ASN B 82 23.573 7.777 -8.676 1.00 0.53 C ATOM 2962 CG ASN B 82 22.475 8.634 -9.278 1.00 0.95 C ATOM 2963 OD1 ASN B 82 22.161 8.532 -10.464 1.00 1.75 O ATOM 2964 ND2 ASN B 82 21.879 9.486 -8.457 1.00 0.81 N ATOM 0 H ASN B 82 21.641 6.192 -8.459 1.00 0.39 H new ATOM 0 HA ASN B 82 23.891 6.363 -10.268 1.00 0.45 H new ATOM 0 HB2 ASN B 82 23.449 7.746 -7.594 1.00 0.53 H new ATOM 0 HB3 ASN B 82 24.538 8.243 -8.873 1.00 0.53 H new ATOM 0 HD21 ASN B 82 21.131 10.088 -8.801 1.00 0.81 H new ATOM 0 HD22 ASN B 82 22.168 9.540 -7.480 1.00 0.81 H new ATOM 2971 N GLN B 83 24.096 4.381 -7.892 1.00 0.37 N ATOM 2972 CA GLN B 83 24.895 3.457 -7.081 1.00 0.40 C ATOM 2973 C GLN B 83 25.232 4.053 -5.721 1.00 0.37 C ATOM 2974 O GLN B 83 26.063 3.521 -4.987 1.00 0.46 O ATOM 2975 CB GLN B 83 26.173 3.032 -7.807 1.00 0.53 C ATOM 2976 CG GLN B 83 26.088 1.638 -8.407 1.00 0.63 C ATOM 2977 CD GLN B 83 24.964 1.506 -9.415 1.00 0.90 C ATOM 2978 OE1 GLN B 83 23.854 1.085 -9.081 1.00 1.62 O ATOM 2979 NE2 GLN B 83 25.241 1.877 -10.653 1.00 0.87 N ATOM 0 H GLN B 83 23.131 4.077 -8.023 1.00 0.37 H new ATOM 0 HA GLN B 83 24.284 2.569 -6.920 1.00 0.40 H new ATOM 0 HB2 GLN B 83 26.388 3.749 -8.600 1.00 0.53 H new ATOM 0 HB3 GLN B 83 27.009 3.069 -7.108 1.00 0.53 H new ATOM 0 HG2 GLN B 83 27.035 1.396 -8.890 1.00 0.63 H new ATOM 0 HG3 GLN B 83 25.942 0.911 -7.608 1.00 0.63 H new ATOM 0 HE21 GLN B 83 26.173 2.220 -10.886 1.00 0.87 H new ATOM 0 HE22 GLN B 83 24.523 1.821 -11.375 1.00 0.87 H new ATOM 2988 N GLU B 84 24.581 5.157 -5.387 1.00 0.37 N ATOM 2989 CA GLU B 84 24.797 5.806 -4.107 1.00 0.38 C ATOM 2990 C GLU B 84 23.829 5.238 -3.080 1.00 0.31 C ATOM 2991 O GLU B 84 22.805 4.657 -3.441 1.00 0.42 O ATOM 2992 CB GLU B 84 24.622 7.321 -4.228 1.00 0.53 C ATOM 2993 CG GLU B 84 23.286 7.739 -4.819 1.00 1.22 C ATOM 2994 CD GLU B 84 23.079 9.237 -4.776 1.00 2.08 C ATOM 2995 OE1 GLU B 84 23.508 9.870 -3.786 1.00 2.45 O ATOM 2996 OE2 GLU B 84 22.484 9.789 -5.728 1.00 2.78 O ATOM 0 H GLU B 84 23.899 5.621 -5.987 1.00 0.37 H new ATOM 0 HA GLU B 84 25.819 5.613 -3.782 1.00 0.38 H new ATOM 0 HB2 GLU B 84 24.728 7.770 -3.240 1.00 0.53 H new ATOM 0 HB3 GLU B 84 25.424 7.722 -4.848 1.00 0.53 H new ATOM 0 HG2 GLU B 84 23.226 7.396 -5.852 1.00 1.22 H new ATOM 0 HG3 GLU B 84 22.481 7.248 -4.273 1.00 1.22 H new ATOM 3003 N TRP B 85 24.145 5.404 -1.813 1.00 0.32 N ATOM 3004 CA TRP B 85 23.303 4.886 -0.750 1.00 0.33 C ATOM 3005 C TRP B 85 22.583 6.023 -0.036 1.00 0.33 C ATOM 3006 O TRP B 85 23.116 6.623 0.898 1.00 0.45 O ATOM 3007 CB TRP B 85 24.149 4.079 0.240 1.00 0.41 C ATOM 3008 CG TRP B 85 25.151 3.187 -0.435 1.00 0.42 C ATOM 3009 CD1 TRP B 85 26.456 3.483 -0.708 1.00 0.66 C ATOM 3010 CD2 TRP B 85 24.928 1.861 -0.928 1.00 0.50 C ATOM 3011 NE1 TRP B 85 27.057 2.424 -1.342 1.00 0.63 N ATOM 3012 CE2 TRP B 85 26.139 1.416 -1.489 1.00 0.50 C ATOM 3013 CE3 TRP B 85 23.821 1.008 -0.954 1.00 0.84 C ATOM 3014 CZ2 TRP B 85 26.275 0.154 -2.062 1.00 0.67 C ATOM 3015 CZ3 TRP B 85 23.958 -0.244 -1.522 1.00 1.10 C ATOM 3016 CH2 TRP B 85 25.175 -0.659 -2.072 1.00 0.97 C ATOM 0 H TRP B 85 24.980 5.894 -1.491 1.00 0.32 H new ATOM 0 HA TRP B 85 22.551 4.229 -1.186 1.00 0.33 H new ATOM 0 HB2 TRP B 85 24.672 4.765 0.906 1.00 0.41 H new ATOM 0 HB3 TRP B 85 23.491 3.472 0.861 1.00 0.41 H new ATOM 0 HD1 TRP B 85 26.944 4.414 -0.461 1.00 0.66 H new ATOM 0 HE1 TRP B 85 28.028 2.392 -1.653 1.00 0.63 H new ATOM 0 HE3 TRP B 85 22.875 1.322 -0.537 1.00 0.84 H new ATOM 0 HZ2 TRP B 85 27.215 -0.171 -2.483 1.00 0.67 H new ATOM 0 HZ3 TRP B 85 23.111 -0.914 -1.542 1.00 1.10 H new ATOM 0 HH2 TRP B 85 25.248 -1.642 -2.514 1.00 0.97 H new ATOM 3027 N LEU B 86 21.374 6.324 -0.492 1.00 0.28 N ATOM 3028 CA LEU B 86 20.578 7.389 0.098 1.00 0.29 C ATOM 3029 C LEU B 86 19.744 6.856 1.256 1.00 0.26 C ATOM 3030 O LEU B 86 19.515 5.652 1.363 1.00 0.28 O ATOM 3031 CB LEU B 86 19.680 8.047 -0.959 1.00 0.34 C ATOM 3032 CG LEU B 86 18.983 7.095 -1.942 1.00 0.42 C ATOM 3033 CD1 LEU B 86 17.740 6.477 -1.320 1.00 0.96 C ATOM 3034 CD2 LEU B 86 18.620 7.835 -3.220 1.00 1.03 C ATOM 0 H LEU B 86 20.923 5.843 -1.271 1.00 0.28 H new ATOM 0 HA LEU B 86 21.258 8.148 0.486 1.00 0.29 H new ATOM 0 HB2 LEU B 86 18.915 8.629 -0.445 1.00 0.34 H new ATOM 0 HB3 LEU B 86 20.284 8.750 -1.532 1.00 0.34 H new ATOM 0 HG LEU B 86 19.676 6.289 -2.182 1.00 0.42 H new ATOM 0 HD11 LEU B 86 17.268 5.808 -2.039 1.00 0.96 H new ATOM 0 HD12 LEU B 86 18.020 5.914 -0.430 1.00 0.96 H new ATOM 0 HD13 LEU B 86 17.040 7.266 -1.045 1.00 0.96 H new ATOM 0 HD21 LEU B 86 18.126 7.150 -3.909 1.00 1.03 H new ATOM 0 HD22 LEU B 86 17.947 8.660 -2.984 1.00 1.03 H new ATOM 0 HD23 LEU B 86 19.526 8.226 -3.684 1.00 1.03 H new ATOM 3046 N TRP B 87 19.277 7.749 2.109 1.00 0.28 N ATOM 3047 CA TRP B 87 18.481 7.354 3.257 1.00 0.29 C ATOM 3048 C TRP B 87 17.032 7.143 2.855 1.00 0.29 C ATOM 3049 O TRP B 87 16.368 8.060 2.367 1.00 0.39 O ATOM 3050 CB TRP B 87 18.586 8.394 4.370 1.00 0.33 C ATOM 3051 CG TRP B 87 19.814 8.222 5.208 1.00 0.38 C ATOM 3052 CD1 TRP B 87 20.997 8.891 5.083 1.00 0.47 C ATOM 3053 CD2 TRP B 87 19.984 7.306 6.294 1.00 0.40 C ATOM 3054 NE1 TRP B 87 21.890 8.448 6.028 1.00 0.53 N ATOM 3055 CE2 TRP B 87 21.291 7.477 6.784 1.00 0.48 C ATOM 3056 CE3 TRP B 87 19.155 6.362 6.904 1.00 0.43 C ATOM 3057 CZ2 TRP B 87 21.789 6.735 7.850 1.00 0.53 C ATOM 3058 CZ3 TRP B 87 19.651 5.627 7.963 1.00 0.50 C ATOM 3059 CH2 TRP B 87 20.956 5.818 8.427 1.00 0.53 C ATOM 0 H TRP B 87 19.435 8.753 2.029 1.00 0.28 H new ATOM 0 HA TRP B 87 18.872 6.410 3.636 1.00 0.29 H new ATOM 0 HB2 TRP B 87 18.588 9.391 3.930 1.00 0.33 H new ATOM 0 HB3 TRP B 87 17.704 8.328 5.007 1.00 0.33 H new ATOM 0 HD1 TRP B 87 21.201 9.656 4.349 1.00 0.47 H new ATOM 0 HE1 TRP B 87 22.844 8.788 6.147 1.00 0.53 H new ATOM 0 HE3 TRP B 87 18.145 6.210 6.554 1.00 0.43 H new ATOM 0 HZ2 TRP B 87 22.798 6.878 8.209 1.00 0.53 H new ATOM 0 HZ3 TRP B 87 19.020 4.892 8.441 1.00 0.50 H new ATOM 0 HH2 TRP B 87 21.313 5.229 9.259 1.00 0.53 H new ATOM 3070 N MET B 88 16.553 5.930 3.059 1.00 0.31 N ATOM 3071 CA MET B 88 15.189 5.576 2.715 1.00 0.39 C ATOM 3072 C MET B 88 14.514 4.851 3.871 1.00 0.37 C ATOM 3073 O MET B 88 15.134 4.041 4.561 1.00 0.40 O ATOM 3074 CB MET B 88 15.175 4.690 1.464 1.00 0.52 C ATOM 3075 CG MET B 88 13.778 4.308 1.000 1.00 0.73 C ATOM 3076 SD MET B 88 13.292 5.151 -0.519 1.00 1.53 S ATOM 3077 CE MET B 88 14.332 4.317 -1.713 1.00 0.91 C ATOM 0 H MET B 88 17.095 5.167 3.465 1.00 0.31 H new ATOM 0 HA MET B 88 14.637 6.493 2.511 1.00 0.39 H new ATOM 0 HB2 MET B 88 15.687 5.211 0.655 1.00 0.52 H new ATOM 0 HB3 MET B 88 15.742 3.781 1.667 1.00 0.52 H new ATOM 0 HG2 MET B 88 13.734 3.230 0.842 1.00 0.73 H new ATOM 0 HG3 MET B 88 13.061 4.544 1.787 1.00 0.73 H new ATOM 0 HE1 MET B 88 13.960 4.512 -2.719 1.00 0.91 H new ATOM 0 HE2 MET B 88 15.354 4.686 -1.626 1.00 0.91 H new ATOM 0 HE3 MET B 88 14.316 3.244 -1.522 1.00 0.91 H new ATOM 3087 N ARG B 89 13.251 5.162 4.092 1.00 0.36 N ATOM 3088 CA ARG B 89 12.482 4.525 5.144 1.00 0.37 C ATOM 3089 C ARG B 89 11.389 3.673 4.515 1.00 0.36 C ATOM 3090 O ARG B 89 10.310 4.171 4.184 1.00 0.42 O ATOM 3091 CB ARG B 89 11.873 5.572 6.074 1.00 0.44 C ATOM 3092 CG ARG B 89 11.221 4.976 7.310 1.00 0.58 C ATOM 3093 CD ARG B 89 9.971 5.745 7.701 1.00 0.97 C ATOM 3094 NE ARG B 89 8.986 5.775 6.619 1.00 2.01 N ATOM 3095 CZ ARG B 89 7.848 6.462 6.673 1.00 2.63 C ATOM 3096 NH1 ARG B 89 7.531 7.145 7.766 1.00 2.41 N ATOM 3097 NH2 ARG B 89 7.026 6.469 5.631 1.00 3.80 N ATOM 0 H ARG B 89 12.733 5.856 3.553 1.00 0.36 H new ATOM 0 HA ARG B 89 13.140 3.891 5.738 1.00 0.37 H new ATOM 0 HB2 ARG B 89 12.652 6.269 6.384 1.00 0.44 H new ATOM 0 HB3 ARG B 89 11.130 6.148 5.523 1.00 0.44 H new ATOM 0 HG2 ARG B 89 10.965 3.933 7.121 1.00 0.58 H new ATOM 0 HG3 ARG B 89 11.930 4.985 8.138 1.00 0.58 H new ATOM 0 HD2 ARG B 89 9.525 5.288 8.585 1.00 0.97 H new ATOM 0 HD3 ARG B 89 10.243 6.765 7.973 1.00 0.97 H new ATOM 0 HE ARG B 89 9.183 5.238 5.775 1.00 2.01 H new ATOM 0 HH11 ARG B 89 8.161 7.144 8.568 1.00 2.41 H new ATOM 0 HH12 ARG B 89 6.658 7.671 7.804 1.00 2.41 H new ATOM 0 HH21 ARG B 89 7.267 5.947 4.788 1.00 3.80 H new ATOM 0 HH22 ARG B 89 6.154 6.996 5.673 1.00 3.80 H new ATOM 3111 N THR B 90 11.682 2.398 4.332 1.00 0.33 N ATOM 3112 CA THR B 90 10.749 1.472 3.721 1.00 0.34 C ATOM 3113 C THR B 90 9.690 0.989 4.707 1.00 0.31 C ATOM 3114 O THR B 90 9.987 0.262 5.657 1.00 0.34 O ATOM 3115 CB THR B 90 11.501 0.259 3.151 1.00 0.38 C ATOM 3116 OG1 THR B 90 12.719 0.701 2.540 1.00 0.43 O ATOM 3117 CG2 THR B 90 10.651 -0.475 2.128 1.00 0.43 C ATOM 0 H THR B 90 12.571 1.977 4.602 1.00 0.33 H new ATOM 0 HA THR B 90 10.244 2.010 2.919 1.00 0.34 H new ATOM 0 HB THR B 90 11.723 -0.429 3.967 1.00 0.38 H new ATOM 0 HG1 THR B 90 12.543 0.962 1.612 1.00 0.43 H new ATOM 0 HG21 THR B 90 11.206 -1.329 1.740 1.00 0.43 H new ATOM 0 HG22 THR B 90 9.733 -0.823 2.601 1.00 0.43 H new ATOM 0 HG23 THR B 90 10.404 0.200 1.309 1.00 0.43 H new ATOM 3125 N SER B 91 8.458 1.415 4.480 1.00 0.28 N ATOM 3126 CA SER B 91 7.337 1.021 5.315 1.00 0.27 C ATOM 3127 C SER B 91 6.682 -0.230 4.743 1.00 0.23 C ATOM 3128 O SER B 91 5.874 -0.150 3.817 1.00 0.28 O ATOM 3129 CB SER B 91 6.326 2.162 5.394 1.00 0.36 C ATOM 3130 OG SER B 91 6.965 3.376 5.746 1.00 0.97 O ATOM 0 H SER B 91 8.208 2.041 3.715 1.00 0.28 H new ATOM 0 HA SER B 91 7.695 0.800 6.320 1.00 0.27 H new ATOM 0 HB2 SER B 91 5.823 2.276 4.434 1.00 0.36 H new ATOM 0 HB3 SER B 91 5.558 1.923 6.130 1.00 0.36 H new ATOM 0 HG SER B 91 7.011 3.451 6.722 1.00 0.97 H new ATOM 3136 N SER B 92 7.042 -1.380 5.286 1.00 0.23 N ATOM 3137 CA SER B 92 6.506 -2.648 4.816 1.00 0.28 C ATOM 3138 C SER B 92 5.192 -2.989 5.513 1.00 0.26 C ATOM 3139 O SER B 92 5.102 -2.947 6.737 1.00 0.36 O ATOM 3140 CB SER B 92 7.534 -3.755 5.047 1.00 0.36 C ATOM 3141 OG SER B 92 8.809 -3.367 4.558 1.00 1.27 O ATOM 0 H SER B 92 7.706 -1.463 6.056 1.00 0.23 H new ATOM 0 HA SER B 92 6.300 -2.561 3.749 1.00 0.28 H new ATOM 0 HB2 SER B 92 7.600 -3.980 6.111 1.00 0.36 H new ATOM 0 HB3 SER B 92 7.210 -4.668 4.548 1.00 0.36 H new ATOM 0 HG SER B 92 8.983 -3.817 3.705 1.00 1.27 H new ATOM 3147 N PHE B 93 4.175 -3.304 4.725 1.00 0.25 N ATOM 3148 CA PHE B 93 2.868 -3.663 5.257 1.00 0.27 C ATOM 3149 C PHE B 93 2.545 -5.112 4.902 1.00 0.25 C ATOM 3150 O PHE B 93 2.671 -5.514 3.742 1.00 0.25 O ATOM 3151 CB PHE B 93 1.793 -2.728 4.689 1.00 0.33 C ATOM 3152 CG PHE B 93 0.522 -2.688 5.496 1.00 0.37 C ATOM 3153 CD1 PHE B 93 -0.383 -3.738 5.456 1.00 0.35 C ATOM 3154 CD2 PHE B 93 0.234 -1.595 6.296 1.00 0.47 C ATOM 3155 CE1 PHE B 93 -1.547 -3.697 6.199 1.00 0.41 C ATOM 3156 CE2 PHE B 93 -0.928 -1.547 7.041 1.00 0.54 C ATOM 3157 CZ PHE B 93 -1.820 -2.599 6.993 1.00 0.50 C ATOM 0 H PHE B 93 4.231 -3.318 3.707 1.00 0.25 H new ATOM 0 HA PHE B 93 2.885 -3.559 6.342 1.00 0.27 H new ATOM 0 HB2 PHE B 93 2.201 -1.719 4.625 1.00 0.33 H new ATOM 0 HB3 PHE B 93 1.555 -3.041 3.672 1.00 0.33 H new ATOM 0 HD1 PHE B 93 -0.175 -4.598 4.837 1.00 0.35 H new ATOM 0 HD2 PHE B 93 0.928 -0.768 6.338 1.00 0.47 H new ATOM 0 HE1 PHE B 93 -2.243 -4.522 6.159 1.00 0.41 H new ATOM 0 HE2 PHE B 93 -1.138 -0.687 7.660 1.00 0.54 H new ATOM 0 HZ PHE B 93 -2.729 -2.564 7.575 1.00 0.50 H new ATOM 3167 N THR B 94 2.147 -5.897 5.895 1.00 0.30 N ATOM 3168 CA THR B 94 1.807 -7.293 5.666 1.00 0.31 C ATOM 3169 C THR B 94 0.391 -7.431 5.121 1.00 0.33 C ATOM 3170 O THR B 94 -0.585 -7.266 5.853 1.00 0.37 O ATOM 3171 CB THR B 94 1.928 -8.119 6.956 1.00 0.38 C ATOM 3172 OG1 THR B 94 2.327 -7.272 8.043 1.00 0.59 O ATOM 3173 CG2 THR B 94 2.931 -9.248 6.777 1.00 0.37 C ATOM 0 H THR B 94 2.052 -5.591 6.863 1.00 0.30 H new ATOM 0 HA THR B 94 2.516 -7.674 4.931 1.00 0.31 H new ATOM 0 HB THR B 94 0.955 -8.556 7.182 1.00 0.38 H new ATOM 0 HG1 THR B 94 2.948 -7.758 8.625 1.00 0.59 H new ATOM 0 HG21 THR B 94 3.002 -9.821 7.701 1.00 0.37 H new ATOM 0 HG22 THR B 94 2.603 -9.902 5.969 1.00 0.37 H new ATOM 0 HG23 THR B 94 3.908 -8.831 6.532 1.00 0.37 H new ATOM 3181 N PHE B 95 0.290 -7.730 3.836 1.00 0.35 N ATOM 3182 CA PHE B 95 -0.996 -7.897 3.182 1.00 0.41 C ATOM 3183 C PHE B 95 -1.382 -9.372 3.172 1.00 0.45 C ATOM 3184 O PHE B 95 -0.656 -10.202 2.627 1.00 0.49 O ATOM 3185 CB PHE B 95 -0.918 -7.354 1.754 1.00 0.48 C ATOM 3186 CG PHE B 95 -2.250 -7.051 1.143 1.00 0.56 C ATOM 3187 CD1 PHE B 95 -3.280 -6.536 1.911 1.00 0.95 C ATOM 3188 CD2 PHE B 95 -2.471 -7.280 -0.203 1.00 0.91 C ATOM 3189 CE1 PHE B 95 -4.504 -6.255 1.345 1.00 1.03 C ATOM 3190 CE2 PHE B 95 -3.692 -7.001 -0.774 1.00 0.98 C ATOM 3191 CZ PHE B 95 -4.710 -6.487 0.002 1.00 0.78 C ATOM 0 H PHE B 95 1.093 -7.863 3.221 1.00 0.35 H new ATOM 0 HA PHE B 95 -1.758 -7.342 3.728 1.00 0.41 H new ATOM 0 HB2 PHE B 95 -0.315 -6.446 1.754 1.00 0.48 H new ATOM 0 HB3 PHE B 95 -0.400 -8.080 1.128 1.00 0.48 H new ATOM 0 HD1 PHE B 95 -3.123 -6.353 2.964 1.00 0.95 H new ATOM 0 HD2 PHE B 95 -1.676 -7.683 -0.813 1.00 0.91 H new ATOM 0 HE1 PHE B 95 -5.301 -5.853 1.953 1.00 1.03 H new ATOM 0 HE2 PHE B 95 -3.852 -7.184 -1.826 1.00 0.98 H new ATOM 0 HZ PHE B 95 -5.669 -6.266 -0.443 1.00 0.78 H new ATOM 3201 N GLN B 96 -2.512 -9.704 3.784 1.00 0.51 N ATOM 3202 CA GLN B 96 -2.963 -11.089 3.845 1.00 0.56 C ATOM 3203 C GLN B 96 -4.464 -11.207 3.585 1.00 0.63 C ATOM 3204 O GLN B 96 -5.167 -10.202 3.482 1.00 0.71 O ATOM 3205 CB GLN B 96 -2.606 -11.713 5.202 1.00 0.60 C ATOM 3206 CG GLN B 96 -2.482 -10.713 6.346 1.00 0.74 C ATOM 3207 CD GLN B 96 -3.799 -10.059 6.712 1.00 0.88 C ATOM 3208 OE1 GLN B 96 -4.115 -8.962 6.247 1.00 1.41 O ATOM 3209 NE2 GLN B 96 -4.576 -10.732 7.539 1.00 0.91 N ATOM 0 H GLN B 96 -3.131 -9.036 4.244 1.00 0.51 H new ATOM 0 HA GLN B 96 -2.446 -11.636 3.057 1.00 0.56 H new ATOM 0 HB2 GLN B 96 -3.367 -12.449 5.461 1.00 0.60 H new ATOM 0 HB3 GLN B 96 -1.663 -12.251 5.103 1.00 0.60 H new ATOM 0 HG2 GLN B 96 -2.080 -11.221 7.222 1.00 0.74 H new ATOM 0 HG3 GLN B 96 -1.765 -9.941 6.069 1.00 0.74 H new ATOM 0 HE21 GLN B 96 -4.274 -11.637 7.900 1.00 0.91 H new ATOM 0 HE22 GLN B 96 -5.479 -10.347 7.818 1.00 0.91 H new ATOM 3218 N ASN B 97 -4.935 -12.444 3.471 1.00 0.73 N ATOM 3219 CA ASN B 97 -6.344 -12.727 3.217 1.00 0.91 C ATOM 3220 C ASN B 97 -7.144 -12.766 4.518 1.00 0.97 C ATOM 3221 O ASN B 97 -6.615 -13.105 5.579 1.00 0.97 O ATOM 3222 CB ASN B 97 -6.501 -14.069 2.492 1.00 1.06 C ATOM 3223 CG ASN B 97 -6.306 -13.971 0.992 1.00 1.43 C ATOM 3224 OD1 ASN B 97 -7.237 -13.652 0.247 1.00 1.94 O ATOM 3225 ND2 ASN B 97 -5.100 -14.264 0.534 1.00 1.65 N ATOM 0 H ASN B 97 -4.353 -13.278 3.552 1.00 0.73 H new ATOM 0 HA ASN B 97 -6.730 -11.924 2.589 1.00 0.91 H new ATOM 0 HB2 ASN B 97 -5.781 -14.779 2.899 1.00 1.06 H new ATOM 0 HB3 ASN B 97 -7.494 -14.470 2.696 1.00 1.06 H new ATOM 0 HD21 ASN B 97 -4.913 -14.231 -0.468 1.00 1.65 H new ATOM 0 HD22 ASN B 97 -4.357 -14.523 1.183 1.00 1.65 H new ATOM 3232 N PRO B 98 -8.441 -12.432 4.444 1.00 1.12 N ATOM 3233 CA PRO B 98 -9.328 -12.420 5.605 1.00 1.28 C ATOM 3234 C PRO B 98 -10.004 -13.767 5.868 1.00 1.35 C ATOM 3235 O PRO B 98 -11.051 -13.827 6.516 1.00 1.41 O ATOM 3236 CB PRO B 98 -10.368 -11.383 5.199 1.00 1.50 C ATOM 3237 CG PRO B 98 -10.484 -11.525 3.717 1.00 1.51 C ATOM 3238 CD PRO B 98 -9.143 -12.001 3.219 1.00 1.26 C ATOM 0 HA PRO B 98 -8.791 -12.204 6.528 1.00 1.28 H new ATOM 0 HB2 PRO B 98 -11.323 -11.566 5.691 1.00 1.50 H new ATOM 0 HB3 PRO B 98 -10.054 -10.377 5.477 1.00 1.50 H new ATOM 0 HG2 PRO B 98 -11.268 -12.236 3.457 1.00 1.51 H new ATOM 0 HG3 PRO B 98 -10.752 -10.574 3.257 1.00 1.51 H new ATOM 0 HD2 PRO B 98 -9.249 -12.822 2.510 1.00 1.26 H new ATOM 0 HD3 PRO B 98 -8.602 -11.205 2.707 1.00 1.26 H new ATOM 3246 N TYR B 99 -9.413 -14.845 5.371 1.00 1.39 N ATOM 3247 CA TYR B 99 -9.987 -16.173 5.560 1.00 1.52 C ATOM 3248 C TYR B 99 -9.188 -16.968 6.587 1.00 1.54 C ATOM 3249 O TYR B 99 -9.605 -17.114 7.736 1.00 1.80 O ATOM 3250 CB TYR B 99 -10.034 -16.934 4.232 1.00 1.68 C ATOM 3251 CG TYR B 99 -10.476 -16.087 3.062 1.00 1.87 C ATOM 3252 CD1 TYR B 99 -11.774 -15.596 2.979 1.00 2.26 C ATOM 3253 CD2 TYR B 99 -9.588 -15.768 2.048 1.00 1.83 C ATOM 3254 CE1 TYR B 99 -12.169 -14.810 1.914 1.00 2.61 C ATOM 3255 CE2 TYR B 99 -9.974 -14.981 0.985 1.00 2.10 C ATOM 3256 CZ TYR B 99 -11.264 -14.505 0.921 1.00 2.50 C ATOM 3257 OH TYR B 99 -11.643 -13.707 -0.134 1.00 2.90 O ATOM 0 H TYR B 99 -8.544 -14.829 4.838 1.00 1.39 H new ATOM 0 HA TYR B 99 -11.004 -16.049 5.931 1.00 1.52 H new ATOM 0 HB2 TYR B 99 -9.045 -17.341 4.021 1.00 1.68 H new ATOM 0 HB3 TYR B 99 -10.712 -17.781 4.333 1.00 1.68 H new ATOM 0 HD1 TYR B 99 -12.483 -15.832 3.758 1.00 2.26 H new ATOM 0 HD2 TYR B 99 -8.576 -16.142 2.091 1.00 1.83 H new ATOM 0 HE1 TYR B 99 -13.181 -14.437 1.860 1.00 2.61 H new ATOM 0 HE2 TYR B 99 -9.267 -14.739 0.205 1.00 2.10 H new ATOM 0 HH TYR B 99 -10.847 -13.316 -0.551 1.00 2.90 H new ATOM 3267 N SER B 100 -8.034 -17.466 6.175 1.00 1.37 N ATOM 3268 CA SER B 100 -7.175 -18.245 7.052 1.00 1.42 C ATOM 3269 C SER B 100 -5.891 -17.476 7.343 1.00 1.24 C ATOM 3270 O SER B 100 -4.886 -18.054 7.771 1.00 1.29 O ATOM 3271 CB SER B 100 -6.850 -19.594 6.404 1.00 1.52 C ATOM 3272 OG SER B 100 -8.021 -20.205 5.887 1.00 2.27 O ATOM 0 H SER B 100 -7.668 -17.343 5.231 1.00 1.37 H new ATOM 0 HA SER B 100 -7.697 -18.424 7.992 1.00 1.42 H new ATOM 0 HB2 SER B 100 -6.126 -19.451 5.602 1.00 1.52 H new ATOM 0 HB3 SER B 100 -6.386 -20.252 7.139 1.00 1.52 H new ATOM 0 HG SER B 100 -7.788 -21.064 5.477 1.00 2.27 H new ATOM 3278 N ASP B 101 -5.941 -16.168 7.094 1.00 1.08 N ATOM 3279 CA ASP B 101 -4.804 -15.277 7.316 1.00 0.96 C ATOM 3280 C ASP B 101 -3.649 -15.654 6.389 1.00 0.87 C ATOM 3281 O ASP B 101 -2.483 -15.674 6.791 1.00 0.91 O ATOM 3282 CB ASP B 101 -4.362 -15.324 8.786 1.00 1.15 C ATOM 3283 CG ASP B 101 -3.506 -14.139 9.184 1.00 1.33 C ATOM 3284 OD1 ASP B 101 -3.718 -13.034 8.642 1.00 2.06 O ATOM 3285 OD2 ASP B 101 -2.629 -14.305 10.060 1.00 1.27 O ATOM 0 H ASP B 101 -6.770 -15.697 6.733 1.00 1.08 H new ATOM 0 HA ASP B 101 -5.110 -14.256 7.087 1.00 0.96 H new ATOM 0 HB2 ASP B 101 -5.245 -15.358 9.424 1.00 1.15 H new ATOM 0 HB3 ASP B 101 -3.805 -16.244 8.963 1.00 1.15 H new ATOM 3290 N GLU B 102 -3.989 -15.982 5.148 1.00 0.88 N ATOM 3291 CA GLU B 102 -2.994 -16.352 4.148 1.00 0.85 C ATOM 3292 C GLU B 102 -2.312 -15.099 3.612 1.00 0.72 C ATOM 3293 O GLU B 102 -2.958 -14.253 2.995 1.00 0.72 O ATOM 3294 CB GLU B 102 -3.645 -17.122 2.994 1.00 1.03 C ATOM 3295 CG GLU B 102 -4.754 -18.071 3.428 1.00 1.30 C ATOM 3296 CD GLU B 102 -6.134 -17.455 3.288 1.00 1.72 C ATOM 3297 OE1 GLU B 102 -6.513 -16.638 4.153 1.00 1.82 O ATOM 3298 OE2 GLU B 102 -6.837 -17.779 2.309 1.00 2.51 O ATOM 0 H GLU B 102 -4.951 -15.999 4.809 1.00 0.88 H new ATOM 0 HA GLU B 102 -2.252 -16.997 4.619 1.00 0.85 H new ATOM 0 HB2 GLU B 102 -4.052 -16.408 2.278 1.00 1.03 H new ATOM 0 HB3 GLU B 102 -2.876 -17.693 2.473 1.00 1.03 H new ATOM 0 HG2 GLU B 102 -4.704 -18.981 2.830 1.00 1.30 H new ATOM 0 HG3 GLU B 102 -4.593 -18.362 4.466 1.00 1.30 H new ATOM 3305 N ILE B 103 -1.012 -14.984 3.850 1.00 0.68 N ATOM 3306 CA ILE B 103 -0.251 -13.823 3.407 1.00 0.59 C ATOM 3307 C ILE B 103 -0.209 -13.724 1.883 1.00 0.61 C ATOM 3308 O ILE B 103 0.179 -14.669 1.196 1.00 0.74 O ATOM 3309 CB ILE B 103 1.193 -13.858 3.953 1.00 0.62 C ATOM 3310 CG1 ILE B 103 1.185 -14.079 5.469 1.00 0.67 C ATOM 3311 CG2 ILE B 103 1.925 -12.567 3.609 1.00 0.56 C ATOM 3312 CD1 ILE B 103 2.559 -14.321 6.058 1.00 0.99 C ATOM 0 H ILE B 103 -0.461 -15.683 4.349 1.00 0.68 H new ATOM 0 HA ILE B 103 -0.763 -12.946 3.802 1.00 0.59 H new ATOM 0 HB ILE B 103 1.719 -14.689 3.483 1.00 0.62 H new ATOM 0 HG12 ILE B 103 0.741 -13.208 5.952 1.00 0.67 H new ATOM 0 HG13 ILE B 103 0.546 -14.931 5.699 1.00 0.67 H new ATOM 0 HG21 ILE B 103 2.941 -12.609 4.002 1.00 0.56 H new ATOM 0 HG22 ILE B 103 1.959 -12.445 2.526 1.00 0.56 H new ATOM 0 HG23 ILE B 103 1.399 -11.721 4.053 1.00 0.56 H new ATOM 0 HD11 ILE B 103 2.473 -14.469 7.134 1.00 0.99 H new ATOM 0 HD12 ILE B 103 2.998 -15.209 5.604 1.00 0.99 H new ATOM 0 HD13 ILE B 103 3.197 -13.459 5.860 1.00 0.99 H new ATOM 3324 N GLU B 104 -0.617 -12.572 1.366 1.00 0.54 N ATOM 3325 CA GLU B 104 -0.620 -12.324 -0.065 1.00 0.59 C ATOM 3326 C GLU B 104 0.771 -11.893 -0.507 1.00 0.51 C ATOM 3327 O GLU B 104 1.460 -12.616 -1.228 1.00 0.56 O ATOM 3328 CB GLU B 104 -1.640 -11.237 -0.412 1.00 0.69 C ATOM 3329 CG GLU B 104 -3.081 -11.650 -0.170 1.00 0.85 C ATOM 3330 CD GLU B 104 -3.818 -11.959 -1.455 1.00 1.06 C ATOM 3331 OE1 GLU B 104 -3.323 -12.785 -2.248 1.00 1.44 O ATOM 3332 OE2 GLU B 104 -4.889 -11.366 -1.691 1.00 1.33 O ATOM 0 H GLU B 104 -0.953 -11.788 1.926 1.00 0.54 H new ATOM 0 HA GLU B 104 -0.898 -13.240 -0.586 1.00 0.59 H new ATOM 0 HB2 GLU B 104 -1.423 -10.346 0.178 1.00 0.69 H new ATOM 0 HB3 GLU B 104 -1.522 -10.962 -1.460 1.00 0.69 H new ATOM 0 HG2 GLU B 104 -3.101 -12.527 0.476 1.00 0.85 H new ATOM 0 HG3 GLU B 104 -3.600 -10.852 0.360 1.00 0.85 H new ATOM 3339 N TYR B 105 1.182 -10.719 -0.045 1.00 0.42 N ATOM 3340 CA TYR B 105 2.490 -10.174 -0.371 1.00 0.40 C ATOM 3341 C TYR B 105 2.843 -9.057 0.606 1.00 0.33 C ATOM 3342 O TYR B 105 2.037 -8.709 1.471 1.00 0.37 O ATOM 3343 CB TYR B 105 2.542 -9.681 -1.829 1.00 0.46 C ATOM 3344 CG TYR B 105 1.646 -8.500 -2.158 1.00 0.47 C ATOM 3345 CD1 TYR B 105 2.067 -7.196 -1.918 1.00 0.45 C ATOM 3346 CD2 TYR B 105 0.398 -8.685 -2.742 1.00 0.59 C ATOM 3347 CE1 TYR B 105 1.274 -6.116 -2.248 1.00 0.55 C ATOM 3348 CE2 TYR B 105 -0.405 -7.608 -3.070 1.00 0.67 C ATOM 3349 CZ TYR B 105 0.039 -6.325 -2.822 1.00 0.65 C ATOM 3350 OH TYR B 105 -0.745 -5.246 -3.161 1.00 0.77 O ATOM 0 H TYR B 105 0.621 -10.122 0.563 1.00 0.42 H new ATOM 0 HA TYR B 105 3.232 -10.967 -0.275 1.00 0.40 H new ATOM 0 HB2 TYR B 105 3.571 -9.409 -2.065 1.00 0.46 H new ATOM 0 HB3 TYR B 105 2.273 -10.510 -2.483 1.00 0.46 H new ATOM 0 HD1 TYR B 105 3.032 -7.026 -1.465 1.00 0.45 H new ATOM 0 HD2 TYR B 105 0.050 -9.687 -2.943 1.00 0.59 H new ATOM 0 HE1 TYR B 105 1.620 -5.111 -2.057 1.00 0.55 H new ATOM 0 HE2 TYR B 105 -1.374 -7.770 -3.518 1.00 0.67 H new ATOM 0 HH TYR B 105 -1.570 -5.562 -3.585 1.00 0.77 H new ATOM 3360 N ILE B 106 4.040 -8.506 0.471 1.00 0.26 N ATOM 3361 CA ILE B 106 4.488 -7.441 1.355 1.00 0.25 C ATOM 3362 C ILE B 106 4.579 -6.118 0.605 1.00 0.26 C ATOM 3363 O ILE B 106 5.370 -5.971 -0.333 1.00 0.28 O ATOM 3364 CB ILE B 106 5.856 -7.773 1.993 1.00 0.26 C ATOM 3365 CG1 ILE B 106 5.769 -9.085 2.783 1.00 0.31 C ATOM 3366 CG2 ILE B 106 6.314 -6.633 2.896 1.00 0.30 C ATOM 3367 CD1 ILE B 106 7.103 -9.572 3.309 1.00 0.36 C ATOM 0 H ILE B 106 4.718 -8.778 -0.241 1.00 0.26 H new ATOM 0 HA ILE B 106 3.750 -7.350 2.152 1.00 0.25 H new ATOM 0 HB ILE B 106 6.591 -7.896 1.197 1.00 0.26 H new ATOM 0 HG12 ILE B 106 5.086 -8.948 3.622 1.00 0.31 H new ATOM 0 HG13 ILE B 106 5.338 -9.855 2.143 1.00 0.31 H new ATOM 0 HG21 ILE B 106 7.279 -6.883 3.337 1.00 0.30 H new ATOM 0 HG22 ILE B 106 6.409 -5.720 2.309 1.00 0.30 H new ATOM 0 HG23 ILE B 106 5.582 -6.480 3.689 1.00 0.30 H new ATOM 0 HD11 ILE B 106 6.960 -10.504 3.856 1.00 0.36 H new ATOM 0 HD12 ILE B 106 7.783 -9.742 2.474 1.00 0.36 H new ATOM 0 HD13 ILE B 106 7.527 -8.821 3.976 1.00 0.36 H new ATOM 3379 N ILE B 107 3.762 -5.163 1.023 1.00 0.29 N ATOM 3380 CA ILE B 107 3.739 -3.847 0.407 1.00 0.34 C ATOM 3381 C ILE B 107 4.790 -2.958 1.054 1.00 0.40 C ATOM 3382 O ILE B 107 4.575 -2.417 2.138 1.00 0.52 O ATOM 3383 CB ILE B 107 2.358 -3.169 0.544 1.00 0.44 C ATOM 3384 CG1 ILE B 107 1.247 -4.214 0.702 1.00 0.46 C ATOM 3385 CG2 ILE B 107 2.088 -2.286 -0.664 1.00 0.53 C ATOM 3386 CD1 ILE B 107 -0.075 -3.632 1.159 1.00 0.79 C ATOM 0 H ILE B 107 3.102 -5.277 1.792 1.00 0.29 H new ATOM 0 HA ILE B 107 3.951 -3.980 -0.654 1.00 0.34 H new ATOM 0 HB ILE B 107 2.367 -2.549 1.440 1.00 0.44 H new ATOM 0 HG12 ILE B 107 1.100 -4.722 -0.251 1.00 0.46 H new ATOM 0 HG13 ILE B 107 1.569 -4.969 1.420 1.00 0.46 H new ATOM 0 HG21 ILE B 107 1.112 -1.813 -0.558 1.00 0.53 H new ATOM 0 HG22 ILE B 107 2.858 -1.518 -0.733 1.00 0.53 H new ATOM 0 HG23 ILE B 107 2.100 -2.894 -1.569 1.00 0.53 H new ATOM 0 HD11 ILE B 107 -0.812 -4.430 1.248 1.00 0.79 H new ATOM 0 HD12 ILE B 107 0.056 -3.148 2.127 1.00 0.79 H new ATOM 0 HD13 ILE B 107 -0.421 -2.898 0.431 1.00 0.79 H new ATOM 3398 N CYS B 108 5.933 -2.830 0.406 1.00 0.39 N ATOM 3399 CA CYS B 108 7.013 -2.016 0.938 1.00 0.47 C ATOM 3400 C CYS B 108 6.947 -0.592 0.403 1.00 0.37 C ATOM 3401 O CYS B 108 7.317 -0.328 -0.743 1.00 0.43 O ATOM 3402 CB CYS B 108 8.366 -2.641 0.606 1.00 0.61 C ATOM 3403 SG CYS B 108 8.776 -4.078 1.622 1.00 1.55 S ATOM 0 H CYS B 108 6.138 -3.277 -0.487 1.00 0.39 H new ATOM 0 HA CYS B 108 6.898 -1.976 2.021 1.00 0.47 H new ATOM 0 HB2 CYS B 108 8.371 -2.936 -0.443 1.00 0.61 H new ATOM 0 HB3 CYS B 108 9.144 -1.887 0.729 1.00 0.61 H new ATOM 0 HG CYS B 108 8.903 -5.125 0.862 1.00 1.55 H new ATOM 3409 N THR B 109 6.466 0.316 1.234 1.00 0.32 N ATOM 3410 CA THR B 109 6.360 1.715 0.862 1.00 0.29 C ATOM 3411 C THR B 109 7.711 2.400 1.029 1.00 0.26 C ATOM 3412 O THR B 109 8.099 2.775 2.136 1.00 0.27 O ATOM 3413 CB THR B 109 5.305 2.444 1.712 1.00 0.39 C ATOM 3414 OG1 THR B 109 4.137 1.622 1.853 1.00 0.48 O ATOM 3415 CG2 THR B 109 4.923 3.770 1.072 1.00 0.49 C ATOM 0 H THR B 109 6.141 0.107 2.178 1.00 0.32 H new ATOM 0 HA THR B 109 6.049 1.761 -0.182 1.00 0.29 H new ATOM 0 HB THR B 109 5.731 2.641 2.696 1.00 0.39 H new ATOM 0 HG1 THR B 109 4.320 0.899 2.489 1.00 0.48 H new ATOM 0 HG21 THR B 109 4.176 4.270 1.689 1.00 0.49 H new ATOM 0 HG22 THR B 109 5.807 4.402 0.989 1.00 0.49 H new ATOM 0 HG23 THR B 109 4.512 3.590 0.079 1.00 0.49 H new ATOM 3423 N ASN B 110 8.425 2.550 -0.072 1.00 0.35 N ATOM 3424 CA ASN B 110 9.742 3.167 -0.054 1.00 0.40 C ATOM 3425 C ASN B 110 9.633 4.682 0.014 1.00 0.45 C ATOM 3426 O ASN B 110 9.363 5.340 -0.990 1.00 0.57 O ATOM 3427 CB ASN B 110 10.542 2.757 -1.293 1.00 0.53 C ATOM 3428 CG ASN B 110 11.521 1.635 -1.013 1.00 1.18 C ATOM 3429 OD1 ASN B 110 12.120 1.568 0.057 1.00 1.84 O ATOM 3430 ND2 ASN B 110 11.688 0.741 -1.977 1.00 1.84 N ATOM 0 H ASN B 110 8.114 2.251 -0.996 1.00 0.35 H new ATOM 0 HA ASN B 110 10.263 2.818 0.837 1.00 0.40 H new ATOM 0 HB2 ASN B 110 9.853 2.445 -2.078 1.00 0.53 H new ATOM 0 HB3 ASN B 110 11.086 3.622 -1.672 1.00 0.53 H new ATOM 0 HD21 ASN B 110 12.333 -0.038 -1.844 1.00 1.84 H new ATOM 0 HD22 ASN B 110 11.172 0.832 -2.852 1.00 1.84 H new ATOM 3437 N THR B 111 9.816 5.226 1.208 1.00 0.39 N ATOM 3438 CA THR B 111 9.759 6.664 1.408 1.00 0.41 C ATOM 3439 C THR B 111 11.171 7.218 1.559 1.00 0.38 C ATOM 3440 O THR B 111 11.854 6.932 2.544 1.00 0.43 O ATOM 3441 CB THR B 111 8.934 7.028 2.658 1.00 0.45 C ATOM 3442 OG1 THR B 111 7.987 5.987 2.944 1.00 0.50 O ATOM 3443 CG2 THR B 111 8.201 8.348 2.453 1.00 0.52 C ATOM 0 H THR B 111 10.006 4.690 2.055 1.00 0.39 H new ATOM 0 HA THR B 111 9.274 7.104 0.537 1.00 0.41 H new ATOM 0 HB THR B 111 9.617 7.135 3.501 1.00 0.45 H new ATOM 0 HG1 THR B 111 8.448 5.231 3.364 1.00 0.50 H new ATOM 0 HG21 THR B 111 7.625 8.587 3.347 1.00 0.52 H new ATOM 0 HG22 THR B 111 8.925 9.141 2.266 1.00 0.52 H new ATOM 0 HG23 THR B 111 7.528 8.262 1.600 1.00 0.52 H new ATOM 3451 N ASN B 112 11.610 7.991 0.576 1.00 0.36 N ATOM 3452 CA ASN B 112 12.951 8.565 0.601 1.00 0.36 C ATOM 3453 C ASN B 112 13.050 9.677 1.638 1.00 0.34 C ATOM 3454 O ASN B 112 12.225 10.588 1.669 1.00 0.37 O ATOM 3455 CB ASN B 112 13.338 9.080 -0.792 1.00 0.45 C ATOM 3456 CG ASN B 112 14.493 10.071 -0.762 1.00 0.39 C ATOM 3457 OD1 ASN B 112 14.282 11.283 -0.828 1.00 0.71 O ATOM 3458 ND2 ASN B 112 15.715 9.568 -0.663 1.00 0.42 N ATOM 0 H ASN B 112 11.060 8.236 -0.248 1.00 0.36 H new ATOM 0 HA ASN B 112 13.653 7.781 0.886 1.00 0.36 H new ATOM 0 HB2 ASN B 112 13.609 8.234 -1.423 1.00 0.45 H new ATOM 0 HB3 ASN B 112 12.471 9.555 -1.251 1.00 0.45 H new ATOM 0 HD21 ASN B 112 16.522 10.191 -0.639 1.00 0.42 H new ATOM 0 HD22 ASN B 112 15.848 8.558 -0.611 1.00 0.42 H new ATOM 3465 N VAL B 113 14.057 9.578 2.496 1.00 0.36 N ATOM 3466 CA VAL B 113 14.281 10.566 3.544 1.00 0.44 C ATOM 3467 C VAL B 113 15.392 11.524 3.133 1.00 0.50 C ATOM 3468 O VAL B 113 15.271 12.741 3.285 1.00 0.78 O ATOM 3469 CB VAL B 113 14.658 9.901 4.886 1.00 0.52 C ATOM 3470 CG1 VAL B 113 14.688 10.933 6.006 1.00 0.98 C ATOM 3471 CG2 VAL B 113 13.693 8.776 5.221 1.00 0.83 C ATOM 0 H VAL B 113 14.737 8.817 2.486 1.00 0.36 H new ATOM 0 HA VAL B 113 13.348 11.112 3.680 1.00 0.44 H new ATOM 0 HB VAL B 113 15.656 9.474 4.785 1.00 0.52 H new ATOM 0 HG11 VAL B 113 14.955 10.445 6.943 1.00 0.98 H new ATOM 0 HG12 VAL B 113 15.426 11.701 5.773 1.00 0.98 H new ATOM 0 HG13 VAL B 113 13.704 11.392 6.104 1.00 0.98 H new ATOM 0 HG21 VAL B 113 13.978 8.322 6.170 1.00 0.83 H new ATOM 0 HG22 VAL B 113 12.682 9.175 5.299 1.00 0.83 H new ATOM 0 HG23 VAL B 113 13.726 8.022 4.434 1.00 0.83 H new ATOM 3481 N LYS B 114 16.468 10.967 2.603 1.00 0.66 N ATOM 3482 CA LYS B 114 17.602 11.756 2.160 1.00 0.80 C ATOM 3483 C LYS B 114 18.275 11.072 0.980 1.00 0.96 C ATOM 3484 O LYS B 114 19.243 10.320 1.205 1.00 1.54 O ATOM 3485 CB LYS B 114 18.608 11.953 3.298 1.00 1.37 C ATOM 3486 CG LYS B 114 19.736 12.918 2.954 1.00 1.56 C ATOM 3487 CD LYS B 114 21.105 12.289 3.172 1.00 2.38 C ATOM 3488 CE LYS B 114 21.969 12.379 1.921 1.00 2.81 C ATOM 3489 NZ LYS B 114 21.722 11.249 0.985 1.00 3.21 N ATOM 3490 OXT LYS B 114 17.831 11.289 -0.166 1.00 0.67 O ATOM 0 H LYS B 114 16.579 9.962 2.469 1.00 0.66 H new ATOM 0 HA LYS B 114 17.242 12.737 1.851 1.00 0.80 H new ATOM 0 HB2 LYS B 114 18.081 12.322 4.178 1.00 1.37 H new ATOM 0 HB3 LYS B 114 19.036 10.987 3.565 1.00 1.37 H new ATOM 0 HG2 LYS B 114 19.642 13.232 1.914 1.00 1.56 H new ATOM 0 HG3 LYS B 114 19.646 13.815 3.567 1.00 1.56 H new ATOM 0 HD2 LYS B 114 21.608 12.789 3.999 1.00 2.38 H new ATOM 0 HD3 LYS B 114 20.985 11.244 3.457 1.00 2.38 H new ATOM 0 HE2 LYS B 114 21.770 13.321 1.411 1.00 2.81 H new ATOM 0 HE3 LYS B 114 23.021 12.388 2.208 1.00 2.81 H new ATOM 0 HZ1 LYS B 114 21.624 11.615 0.017 1.00 3.21 H new ATOM 0 HZ2 LYS B 114 22.521 10.584 1.025 1.00 3.21 H new ATOM 0 HZ3 LYS B 114 20.848 10.756 1.259 1.00 3.21 H new