USER MOD reduce.3.24.130724 H: found=0, std=0, add=1721, rem=0, adj=67 USER MOD reduce.3.24.130724 removed 1727 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 73 SER OG : rot 180:sc= 0.963 USER MOD Set 1.2: B 91 SER OG : rot -75:sc= 1.12 USER MOD Set 2.1: B 16 HIS : no HE2:sc= 2.07 K(o=5.2,f=-16!) USER MOD Set 2.2: B 92 SER OG : rot -108:sc= 1.32 USER MOD Set 2.3: B 108 CYS SG : rot 127:sc= 1.82 USER MOD Set 3.1: B 14 SER OG : rot -76:sc= 0.923 USER MOD Set 3.2: B 88 MET CE :methyl 162:sc= -0.3 (180deg=-0.75) USER MOD Set 3.3: B 90 THR OG1 : rot 128:sc= 1.21 USER MOD Set 3.4: B 110 ASN : amide:sc= -0.115 K(o=1.7,f=-0.85) USER MOD Set 4.1: A 102 MET CE :methyl -174:sc= 0 (180deg=-0.127) USER MOD Set 4.2: B 109 THR OG1 : rot 79:sc= 0.943 USER MOD Set 5.1: A 92 ASN : amide:sc= -0.538 K(o=-0.2,f=-9.5!) USER MOD Set 5.2: A 99 GLN : amide:sc= 0.34 K(o=-0.2,f=-6.4!) USER MOD Set 6.1: A 95 ASN : amide:sc= -0.506 X(o=-1.1,f=-1.2) USER MOD Set 6.2: A 97 GLN : amide:sc= -0.627 X(o=-1.1,f=-1) USER MOD Set 7.1: A 65 GLN : amide:sc= 0.568 X(o=0.76,f=0.42) USER MOD Set 7.2: A 88 THR OG1 : rot 100:sc= 0.483 USER MOD Set 7.3: B 70 GLN : amide:sc= -0.288 K(o=0.76,f=-2.4!) USER MOD Set 8.1: A 10 SER OG : rot 125:sc= 1.19 USER MOD Set 8.2: A 46 HIS : no HE2:sc= -1.21 K(o=0.54,f=-7.3!) USER MOD Set 8.3: A 53 MET CE :methyl 160:sc= -0.05 (180deg=-0.418) USER MOD Set 8.4: A 71 TYR OH : rot -149:sc= 1.25 USER MOD Set 8.5: A 85 THR OG1 : rot 80:sc= 0.99 USER MOD Set 8.6: A 105 ASN : amide:sc= -1.63! K(o=0.54!,f=1.6) USER MOD Set 9.1: A 12 HIS : no HE2:sc= 1.44 K(o=0.48,f=-6.9!) USER MOD Set 9.2: A 45 TYR OH : rot 93:sc= 0.873 USER MOD Set 9.3: A 103 CYS SG : rot 180:sc= -1.84! USER MOD Set10.1: A 42 TYR OH : rot 101:sc= 0.14 USER MOD Set10.2: A 57 HIS : no HD1:sc= 0 X(o=0.14,f=0.0085) USER MOD Set11.1: A 26 THR OG1 : rot 88:sc= 0.289 USER MOD Set11.2: A 32 HIS : no HE2:sc= -1.51! C(o=-1.2!,f=-7.2!) USER MOD Set12.1: A 13 SER OG : rot -37:sc= 1.24 USER MOD Set12.2: A 19 THR OG1 : rot 171:sc= 0.569 USER MOD Set13.1: A 7 THR OG1 : rot 168:sc= 1.16 USER MOD Set13.2: B 97 ASN : amide:sc= -1.34 K(o=-0.18,f=-2.1!) USER MOD Single : A 6 LYS NZ :NH3+ -165:sc= 1.28 (180deg=1.16) USER MOD Single : A 14 MET CE :methyl -148:sc=-0.00738 (180deg=-1.53!) USER MOD Single : A 16 MET CE :methyl 144:sc= -0.115 (180deg=-0.909) USER MOD Single : A 17 LYS NZ :NH3+ 175:sc= 1.3 (180deg=1.06) USER MOD Single : A 20 TYR OH : rot 165:sc= 0 USER MOD Single : A 21 CYS SG : rot 110:sc= -2.97! USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -132:sc= 1.05 USER MOD Single : A 50 SER OG : rot 100:sc= 0.856 USER MOD Single : A 52 ASN : amide:sc= -0.497 K(o=-0.5,f=-2.6!) USER MOD Single : A 54 THR OG1 : rot -31:sc= 0.0153 USER MOD Single : A 55 LYS NZ :NH3+ -159:sc= 0.738 (180deg=0.0486) USER MOD Single : A 56 SER OG : rot 85:sc= 1.23 USER MOD Single : A 58 GLN : amide:sc= -0.1 K(o=-0.1,f=-0.62) USER MOD Single : A 59 ASN : amide:sc=-0.00117 K(o=-0.0012,f=-2.7!) USER MOD Single : A 61 CYS SG : rot 87:sc= 1.31 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 157:sc= 0.192 (180deg=0.062) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 1.18 K(o=1.2,f=-0.66) USER MOD Single : A 73 MET CE :methyl -162:sc= 0 (180deg=-0.161) USER MOD Single : A 76 LYS NZ :NH3+ -165:sc= 1.28 (180deg=1.11) USER MOD Single : A 77 HIS : no HD1:sc= -0.373 X(o=-0.37,f=-0.049) USER MOD Single : A 80 TYR OH : rot 30:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.564 K(o=-0.56,f=-3.9!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 CYS SG : rot -65:sc= 0.559 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : B 7 CYS SG : rot 180:sc= 0 USER MOD Single : B 8 GLN : amide:sc= -0.149 K(o=-0.15,f=-0.87) USER MOD Single : B 10 THR OG1 : rot -120:sc= 0.147 USER MOD Single : B 17 ASN : amide:sc= -0.303 K(o=-0.3,f=-8.3!) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 27 HIS : no HD1:sc= -0.338 X(o=-0.34,f=-0.095) USER MOD Single : B 29 CYS SG : rot 102:sc= 1.18 USER MOD Single : B 32 THR OG1 : rot -150:sc= -0.397 USER MOD Single : B 35 TYR OH : rot -83:sc= 0.0349 USER MOD Single : B 36 GLN : amide:sc= -1.07! K(o=-1.1!,f=-0.053) USER MOD Single : B 38 GLN : amide:sc= 1.02 K(o=1,f=-5.7!) USER MOD Single : B 43 LYS NZ :NH3+ -156:sc= 1.15 (180deg=0.208) USER MOD Single : B 44 ASN : amide:sc= 0.475 X(o=0.47,f=0) USER MOD Single : B 49 CYS SG : rot 81:sc= -0.741 USER MOD Single : B 50 HIS : no HE2:sc= 1.01 K(o=1,f=-5.5!) USER MOD Single : B 54 GLN : amide:sc= -1.32! C(o=-1.3!,f=-3.5!) USER MOD Single : B 55 GLN : amide:sc= -1.2 K(o=-1.2,f=-9.5!) USER MOD Single : B 60 SER OG : rot 79:sc= 1.2 USER MOD Single : B 62 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.047) USER MOD Single : B 63 GLN : amide:sc= 1.13 K(o=1.1,f=-1) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ -163:sc= 1.13 (180deg=0.893) USER MOD Single : B 75 MET CE :methyl -118:sc= -0.96 (180deg=-3.38!) USER MOD Single : B 80 SER OG : rot -176:sc= -0.495! USER MOD Single : B 81 LYS NZ :NH3+ -164:sc= 1.23 (180deg=1.05) USER MOD Single : B 82 ASN : amide:sc= 1.18 K(o=1.2,f=-0.13) USER MOD Single : B 83 GLN : amide:sc= 0.884 K(o=0.88,f=-7.7!) USER MOD Single : B 94 THR OG1 : rot -141:sc= 0.671 USER MOD Single : B 96 GLN : amide:sc= -4.8! C(o=-4.8!,f=-9.1!) USER MOD Single : B 99 TYR OH : rot 171:sc= 1.13 USER MOD Single : B 100 SER OG : rot 180:sc= 0 USER MOD Single : B 105 TYR OH : rot -103:sc= 1.69 USER MOD Single : B 111 THR OG1 : rot 75:sc= 0.984 USER MOD Single : B 112 ASN : amide:sc= 0.997 K(o=1,f=-5!) USER MOD Single : B 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 6 -8.370 -12.594 -2.038 1.00 0.00 N ATOM 2 CA LYS A 6 -7.677 -11.458 -2.686 1.00 0.00 C ATOM 3 C LYS A 6 -7.665 -10.239 -1.773 1.00 0.00 C ATOM 4 O LYS A 6 -8.718 -9.732 -1.390 1.00 0.00 O ATOM 5 CB LYS A 6 -8.365 -11.097 -4.004 1.00 0.00 C ATOM 6 CG LYS A 6 -8.453 -12.249 -4.990 1.00 0.00 C ATOM 7 CD LYS A 6 -9.182 -11.836 -6.258 1.00 0.00 C ATOM 8 CE LYS A 6 -9.474 -13.031 -7.148 1.00 0.00 C ATOM 9 NZ LYS A 6 -10.147 -12.630 -8.410 1.00 0.00 N ATOM 0 HA LYS A 6 -6.649 -11.762 -2.885 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.372 -10.737 -3.790 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.825 -10.273 -4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.450 -12.593 -5.241 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.972 -13.088 -4.527 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.116 -11.339 -5.996 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.579 -11.112 -6.806 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.542 -13.546 -7.381 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.104 -13.739 -6.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.554 -13.470 -8.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.904 -11.949 -8.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.454 -12.189 -9.048 1.00 0.00 H new ATOM 25 N THR A 7 -6.478 -9.786 -1.412 1.00 0.00 N ATOM 26 CA THR A 7 -6.330 -8.618 -0.564 1.00 0.00 C ATOM 27 C THR A 7 -5.623 -7.504 -1.335 1.00 0.00 C ATOM 28 O THR A 7 -4.467 -7.653 -1.745 1.00 0.00 O ATOM 29 CB THR A 7 -5.551 -8.968 0.719 1.00 0.00 C ATOM 30 OG1 THR A 7 -6.209 -10.045 1.402 1.00 0.00 O ATOM 31 CG2 THR A 7 -5.450 -7.767 1.645 1.00 0.00 C ATOM 0 H THR A 7 -5.596 -10.213 -1.696 1.00 0.00 H new ATOM 0 HA THR A 7 -7.321 -8.271 -0.271 1.00 0.00 H new ATOM 0 HB THR A 7 -4.542 -9.268 0.435 1.00 0.00 H new ATOM 0 HG1 THR A 7 -5.619 -10.399 2.099 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.895 -8.044 2.541 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.931 -6.956 1.134 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.451 -7.438 1.925 1.00 0.00 H new ATOM 39 N PHE A 8 -6.322 -6.394 -1.544 1.00 0.00 N ATOM 40 CA PHE A 8 -5.761 -5.279 -2.292 1.00 0.00 C ATOM 41 C PHE A 8 -5.612 -4.035 -1.418 1.00 0.00 C ATOM 42 O PHE A 8 -6.200 -3.943 -0.334 1.00 0.00 O ATOM 43 CB PHE A 8 -6.608 -4.985 -3.542 1.00 0.00 C ATOM 44 CG PHE A 8 -7.973 -4.408 -3.278 1.00 0.00 C ATOM 45 CD1 PHE A 8 -8.986 -5.191 -2.751 1.00 0.00 C ATOM 46 CD2 PHE A 8 -8.245 -3.083 -3.577 1.00 0.00 C ATOM 47 CE1 PHE A 8 -10.243 -4.663 -2.525 1.00 0.00 C ATOM 48 CE2 PHE A 8 -9.499 -2.552 -3.356 1.00 0.00 C ATOM 49 CZ PHE A 8 -10.499 -3.342 -2.827 1.00 0.00 C ATOM 0 H PHE A 8 -7.273 -6.244 -1.207 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.761 -5.564 -2.618 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.057 -4.293 -4.179 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.727 -5.911 -4.105 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.792 -6.227 -2.514 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.466 -2.458 -3.988 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -11.024 -5.284 -2.112 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.698 -1.518 -3.597 1.00 0.00 H new ATOM 0 HZ PHE A 8 -11.480 -2.927 -2.650 1.00 0.00 H new ATOM 59 N LEU A 9 -4.813 -3.089 -1.891 1.00 0.00 N ATOM 60 CA LEU A 9 -4.553 -1.857 -1.156 1.00 0.00 C ATOM 61 C LEU A 9 -5.321 -0.675 -1.745 1.00 0.00 C ATOM 62 O LEU A 9 -5.232 -0.388 -2.940 1.00 0.00 O ATOM 63 CB LEU A 9 -3.043 -1.565 -1.162 1.00 0.00 C ATOM 64 CG LEU A 9 -2.546 -0.493 -0.177 1.00 0.00 C ATOM 65 CD1 LEU A 9 -2.647 0.898 -0.787 1.00 0.00 C ATOM 66 CD2 LEU A 9 -3.313 -0.555 1.137 1.00 0.00 C ATOM 0 H LEU A 9 -4.330 -3.151 -2.787 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.898 -1.993 -0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.515 -2.495 -0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.759 -1.261 -2.169 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.497 -0.700 0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.289 1.637 -0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.038 0.944 -1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.686 1.110 -1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.940 0.214 1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.373 -0.388 0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.176 -1.536 1.592 1.00 0.00 H new ATOM 78 N SER A 10 -6.067 0.011 -0.892 1.00 0.00 N ATOM 79 CA SER A 10 -6.826 1.175 -1.304 1.00 0.00 C ATOM 80 C SER A 10 -6.326 2.403 -0.546 1.00 0.00 C ATOM 81 O SER A 10 -6.729 2.650 0.593 1.00 0.00 O ATOM 82 CB SER A 10 -8.316 0.963 -1.035 1.00 0.00 C ATOM 83 OG SER A 10 -8.695 -0.377 -1.284 1.00 0.00 O ATOM 0 H SER A 10 -6.161 -0.223 0.096 1.00 0.00 H new ATOM 0 HA SER A 10 -6.688 1.329 -2.374 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.542 1.221 -0.000 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.901 1.632 -1.666 1.00 0.00 H new ATOM 0 HG SER A 10 -9.123 -0.750 -0.485 1.00 0.00 H new ATOM 89 N ARG A 11 -5.423 3.152 -1.161 1.00 0.00 N ATOM 90 CA ARG A 11 -4.873 4.347 -0.534 1.00 0.00 C ATOM 91 C ARG A 11 -5.946 5.424 -0.431 1.00 0.00 C ATOM 92 O ARG A 11 -6.270 6.090 -1.415 1.00 0.00 O ATOM 93 CB ARG A 11 -3.671 4.859 -1.328 1.00 0.00 C ATOM 94 CG ARG A 11 -2.803 5.848 -0.568 1.00 0.00 C ATOM 95 CD ARG A 11 -1.534 6.164 -1.340 1.00 0.00 C ATOM 96 NE ARG A 11 -0.682 7.133 -0.654 1.00 0.00 N ATOM 97 CZ ARG A 11 0.645 7.018 -0.565 1.00 0.00 C ATOM 98 NH1 ARG A 11 1.260 5.951 -1.059 1.00 0.00 N ATOM 99 NH2 ARG A 11 1.354 7.964 0.030 1.00 0.00 N ATOM 0 H ARG A 11 -5.055 2.955 -2.092 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.536 4.094 0.471 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.058 4.009 -1.628 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.028 5.333 -2.242 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.363 6.766 -0.390 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.546 5.437 0.408 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.973 5.243 -1.501 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.799 6.552 -2.323 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.126 7.942 -0.219 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.719 5.213 -1.510 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.274 5.869 -0.988 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.887 8.782 0.421 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.368 7.875 0.098 1.00 0.00 H new ATOM 113 N HIS A 12 -6.503 5.576 0.765 1.00 0.00 N ATOM 114 CA HIS A 12 -7.553 6.554 1.008 1.00 0.00 C ATOM 115 C HIS A 12 -7.017 7.732 1.805 1.00 0.00 C ATOM 116 O HIS A 12 -7.281 7.858 3.000 1.00 0.00 O ATOM 117 CB HIS A 12 -8.726 5.915 1.759 1.00 0.00 C ATOM 118 CG HIS A 12 -9.495 4.912 0.957 1.00 0.00 C ATOM 119 ND1 HIS A 12 -9.939 5.155 -0.320 1.00 0.00 N ATOM 120 CD2 HIS A 12 -9.913 3.664 1.266 1.00 0.00 C ATOM 121 CE1 HIS A 12 -10.600 4.105 -0.764 1.00 0.00 C ATOM 122 NE2 HIS A 12 -10.601 3.180 0.180 1.00 0.00 N ATOM 0 H HIS A 12 -6.242 5.030 1.586 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.905 6.912 0.041 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -8.346 5.430 2.658 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.406 6.702 2.084 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -9.781 6.016 -0.844 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.738 3.143 2.196 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.063 4.015 -1.736 1.00 0.00 H new ATOM 131 N SER A 13 -6.263 8.590 1.145 1.00 0.00 N ATOM 132 CA SER A 13 -5.690 9.752 1.800 1.00 0.00 C ATOM 133 C SER A 13 -6.589 10.975 1.621 1.00 0.00 C ATOM 134 O SER A 13 -7.479 10.981 0.766 1.00 0.00 O ATOM 135 CB SER A 13 -4.298 10.028 1.233 1.00 0.00 C ATOM 136 OG SER A 13 -3.612 8.812 0.963 1.00 0.00 O ATOM 0 H SER A 13 -6.032 8.505 0.155 1.00 0.00 H new ATOM 0 HA SER A 13 -5.608 9.547 2.867 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.383 10.614 0.318 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.724 10.625 1.941 1.00 0.00 H new ATOM 0 HG SER A 13 -3.832 8.152 1.654 1.00 0.00 H new ATOM 142 N MET A 14 -6.354 11.993 2.451 1.00 0.00 N ATOM 143 CA MET A 14 -7.105 13.250 2.410 1.00 0.00 C ATOM 144 C MET A 14 -8.599 13.034 2.676 1.00 0.00 C ATOM 145 O MET A 14 -8.998 12.761 3.808 1.00 0.00 O ATOM 146 CB MET A 14 -6.893 13.966 1.071 1.00 0.00 C ATOM 147 CG MET A 14 -5.559 14.692 0.961 1.00 0.00 C ATOM 148 SD MET A 14 -4.164 13.572 0.714 1.00 0.00 S ATOM 149 CE MET A 14 -2.817 14.742 0.556 1.00 0.00 C ATOM 0 H MET A 14 -5.635 11.969 3.174 1.00 0.00 H new ATOM 0 HA MET A 14 -6.720 13.883 3.209 1.00 0.00 H new ATOM 0 HB2 MET A 14 -6.965 13.236 0.265 1.00 0.00 H new ATOM 0 HB3 MET A 14 -7.699 14.685 0.923 1.00 0.00 H new ATOM 0 HG2 MET A 14 -5.603 15.397 0.131 1.00 0.00 H new ATOM 0 HG3 MET A 14 -5.393 15.275 1.867 1.00 0.00 H new ATOM 0 HE1 MET A 14 -2.063 14.340 -0.121 1.00 0.00 H new ATOM 0 HE2 MET A 14 -3.197 15.683 0.158 1.00 0.00 H new ATOM 0 HE3 MET A 14 -2.370 14.916 1.535 1.00 0.00 H new ATOM 159 N ASP A 15 -9.420 13.139 1.635 1.00 0.00 N ATOM 160 CA ASP A 15 -10.868 12.968 1.770 1.00 0.00 C ATOM 161 C ASP A 15 -11.267 11.504 1.619 1.00 0.00 C ATOM 162 O ASP A 15 -12.387 11.191 1.215 1.00 0.00 O ATOM 163 CB ASP A 15 -11.614 13.828 0.741 1.00 0.00 C ATOM 164 CG ASP A 15 -11.242 13.498 -0.693 1.00 0.00 C ATOM 165 OD1 ASP A 15 -10.053 13.637 -1.050 1.00 0.00 O ATOM 166 OD2 ASP A 15 -12.138 13.105 -1.474 1.00 0.00 O ATOM 0 H ASP A 15 -9.109 13.342 0.685 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.148 13.297 2.771 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.687 13.691 0.872 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.401 14.880 0.932 1.00 0.00 H new ATOM 171 N MET A 16 -10.331 10.617 1.952 1.00 0.00 N ATOM 172 CA MET A 16 -10.544 9.172 1.882 1.00 0.00 C ATOM 173 C MET A 16 -10.789 8.719 0.447 1.00 0.00 C ATOM 174 O MET A 16 -11.414 7.685 0.203 1.00 0.00 O ATOM 175 CB MET A 16 -11.709 8.748 2.781 1.00 0.00 C ATOM 176 CG MET A 16 -11.423 7.494 3.590 1.00 0.00 C ATOM 177 SD MET A 16 -12.761 7.085 4.727 1.00 0.00 S ATOM 178 CE MET A 16 -12.007 5.765 5.676 1.00 0.00 C ATOM 0 H MET A 16 -9.401 10.880 2.279 1.00 0.00 H new ATOM 0 HA MET A 16 -9.636 8.687 2.241 1.00 0.00 H new ATOM 0 HB2 MET A 16 -11.948 9.564 3.463 1.00 0.00 H new ATOM 0 HB3 MET A 16 -12.592 8.580 2.164 1.00 0.00 H new ATOM 0 HG2 MET A 16 -11.259 6.657 2.911 1.00 0.00 H new ATOM 0 HG3 MET A 16 -10.501 7.632 4.154 1.00 0.00 H new ATOM 0 HE1 MET A 16 -12.338 5.828 6.713 1.00 0.00 H new ATOM 0 HE2 MET A 16 -12.302 4.802 5.259 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.922 5.861 5.635 1.00 0.00 H new ATOM 188 N LYS A 17 -10.275 9.493 -0.499 1.00 0.00 N ATOM 189 CA LYS A 17 -10.422 9.177 -1.911 1.00 0.00 C ATOM 190 C LYS A 17 -9.385 8.143 -2.322 1.00 0.00 C ATOM 191 O LYS A 17 -8.930 7.350 -1.503 1.00 0.00 O ATOM 192 CB LYS A 17 -10.271 10.440 -2.765 1.00 0.00 C ATOM 193 CG LYS A 17 -8.951 11.169 -2.561 1.00 0.00 C ATOM 194 CD LYS A 17 -8.521 11.899 -3.823 1.00 0.00 C ATOM 195 CE LYS A 17 -7.670 13.117 -3.502 1.00 0.00 C ATOM 196 NZ LYS A 17 -8.505 14.285 -3.111 1.00 0.00 N ATOM 0 H LYS A 17 -9.751 10.348 -0.312 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.419 8.768 -2.073 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.366 10.169 -3.816 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.090 11.122 -2.536 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.050 11.882 -1.742 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.180 10.455 -2.271 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.958 11.220 -4.463 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.403 12.208 -4.384 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.980 12.876 -2.693 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.065 13.377 -4.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.889 15.070 -2.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.085 14.584 -3.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.126 14.019 -2.320 1.00 0.00 H new ATOM 210 N PHE A 18 -9.020 8.145 -3.588 1.00 0.00 N ATOM 211 CA PHE A 18 -8.030 7.214 -4.089 1.00 0.00 C ATOM 212 C PHE A 18 -6.772 7.956 -4.518 1.00 0.00 C ATOM 213 O PHE A 18 -6.774 8.661 -5.523 1.00 0.00 O ATOM 214 CB PHE A 18 -8.594 6.417 -5.264 1.00 0.00 C ATOM 215 CG PHE A 18 -9.454 5.253 -4.855 1.00 0.00 C ATOM 216 CD1 PHE A 18 -8.878 4.081 -4.392 1.00 0.00 C ATOM 217 CD2 PHE A 18 -10.834 5.329 -4.942 1.00 0.00 C ATOM 218 CE1 PHE A 18 -9.664 3.005 -4.025 1.00 0.00 C ATOM 219 CE2 PHE A 18 -11.625 4.256 -4.577 1.00 0.00 C ATOM 220 CZ PHE A 18 -11.039 3.093 -4.117 1.00 0.00 C ATOM 0 H PHE A 18 -9.395 8.783 -4.290 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.773 6.522 -3.287 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -9.180 7.085 -5.895 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -7.767 6.049 -5.871 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -7.803 4.007 -4.317 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -11.297 6.237 -5.299 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -9.203 2.096 -3.667 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -12.700 4.327 -4.651 1.00 0.00 H new ATOM 0 HZ PHE A 18 -11.655 2.254 -3.830 1.00 0.00 H new ATOM 230 N THR A 19 -5.718 7.835 -3.728 1.00 0.00 N ATOM 231 CA THR A 19 -4.449 8.470 -4.054 1.00 0.00 C ATOM 232 C THR A 19 -3.539 7.464 -4.750 1.00 0.00 C ATOM 233 O THR A 19 -2.542 7.824 -5.381 1.00 0.00 O ATOM 234 CB THR A 19 -3.761 9.012 -2.791 1.00 0.00 C ATOM 235 OG1 THR A 19 -4.419 8.495 -1.625 1.00 0.00 O ATOM 236 CG2 THR A 19 -3.790 10.532 -2.766 1.00 0.00 C ATOM 0 H THR A 19 -5.714 7.304 -2.857 1.00 0.00 H new ATOM 0 HA THR A 19 -4.644 9.310 -4.720 1.00 0.00 H new ATOM 0 HB THR A 19 -2.720 8.689 -2.799 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.900 8.727 -0.827 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.297 10.891 -1.862 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.270 10.920 -3.642 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.824 10.876 -2.776 1.00 0.00 H new ATOM 244 N TYR A 20 -3.914 6.199 -4.618 1.00 0.00 N ATOM 245 CA TYR A 20 -3.200 5.082 -5.216 1.00 0.00 C ATOM 246 C TYR A 20 -4.095 3.857 -5.127 1.00 0.00 C ATOM 247 O TYR A 20 -4.382 3.369 -4.031 1.00 0.00 O ATOM 248 CB TYR A 20 -1.869 4.824 -4.500 1.00 0.00 C ATOM 249 CG TYR A 20 -0.927 3.913 -5.260 1.00 0.00 C ATOM 250 CD1 TYR A 20 -0.077 4.421 -6.236 1.00 0.00 C ATOM 251 CD2 TYR A 20 -0.876 2.550 -4.994 1.00 0.00 C ATOM 252 CE1 TYR A 20 0.789 3.596 -6.928 1.00 0.00 C ATOM 253 CE2 TYR A 20 -0.013 1.720 -5.683 1.00 0.00 C ATOM 254 CZ TYR A 20 0.819 2.249 -6.645 1.00 0.00 C ATOM 255 OH TYR A 20 1.688 1.426 -7.329 1.00 0.00 O ATOM 0 H TYR A 20 -4.736 5.917 -4.084 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.965 5.311 -6.255 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.372 5.778 -4.324 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.073 4.386 -3.523 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.094 5.478 -6.457 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.522 2.133 -4.236 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.439 4.006 -7.687 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.009 0.662 -5.469 1.00 0.00 H new ATOM 0 HH TYR A 20 1.764 0.569 -6.861 1.00 0.00 H new ATOM 265 N CYS A 21 -4.566 3.386 -6.264 1.00 0.00 N ATOM 266 CA CYS A 21 -5.460 2.242 -6.290 1.00 0.00 C ATOM 267 C CYS A 21 -4.745 0.980 -6.743 1.00 0.00 C ATOM 268 O CYS A 21 -3.826 1.030 -7.564 1.00 0.00 O ATOM 269 CB CYS A 21 -6.639 2.537 -7.211 1.00 0.00 C ATOM 270 SG CYS A 21 -6.994 4.301 -7.389 1.00 0.00 S ATOM 0 H CYS A 21 -4.346 3.775 -7.181 1.00 0.00 H new ATOM 0 HA CYS A 21 -5.819 2.069 -5.276 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.435 2.115 -8.195 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.526 2.033 -6.825 1.00 0.00 H new ATOM 0 HG CYS A 21 -6.669 4.690 -8.586 1.00 0.00 H new ATOM 276 N ASP A 22 -5.172 -0.144 -6.188 1.00 0.00 N ATOM 277 CA ASP A 22 -4.606 -1.438 -6.523 1.00 0.00 C ATOM 278 C ASP A 22 -4.993 -1.831 -7.941 1.00 0.00 C ATOM 279 O ASP A 22 -6.058 -1.456 -8.428 1.00 0.00 O ATOM 280 CB ASP A 22 -5.112 -2.489 -5.540 1.00 0.00 C ATOM 281 CG ASP A 22 -4.201 -3.691 -5.446 1.00 0.00 C ATOM 282 OD1 ASP A 22 -4.060 -4.420 -6.454 1.00 0.00 O ATOM 283 OD2 ASP A 22 -3.635 -3.918 -4.358 1.00 0.00 O ATOM 0 H ASP A 22 -5.919 -0.183 -5.495 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.520 -1.376 -6.460 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.213 -2.038 -4.553 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.106 -2.816 -5.845 1.00 0.00 H new ATOM 288 N ASP A 23 -4.139 -2.598 -8.596 1.00 0.00 N ATOM 289 CA ASP A 23 -4.400 -3.035 -9.961 1.00 0.00 C ATOM 290 C ASP A 23 -5.370 -4.214 -9.968 1.00 0.00 C ATOM 291 O ASP A 23 -5.945 -4.558 -11.002 1.00 0.00 O ATOM 292 CB ASP A 23 -3.092 -3.421 -10.660 1.00 0.00 C ATOM 293 CG ASP A 23 -2.561 -4.766 -10.209 1.00 0.00 C ATOM 294 OD1 ASP A 23 -1.965 -4.841 -9.116 1.00 0.00 O ATOM 295 OD2 ASP A 23 -2.728 -5.757 -10.952 1.00 0.00 O ATOM 0 H ASP A 23 -3.258 -2.933 -8.206 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.854 -2.207 -10.505 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.254 -3.442 -11.738 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.341 -2.655 -10.465 1.00 0.00 H new ATOM 300 N ARG A 24 -5.556 -4.828 -8.807 1.00 0.00 N ATOM 301 CA ARG A 24 -6.458 -5.967 -8.680 1.00 0.00 C ATOM 302 C ARG A 24 -7.902 -5.507 -8.517 1.00 0.00 C ATOM 303 O ARG A 24 -8.829 -6.315 -8.553 1.00 0.00 O ATOM 304 CB ARG A 24 -6.052 -6.838 -7.493 1.00 0.00 C ATOM 305 CG ARG A 24 -4.602 -7.284 -7.542 1.00 0.00 C ATOM 306 CD ARG A 24 -4.175 -7.930 -6.238 1.00 0.00 C ATOM 307 NE ARG A 24 -4.472 -9.363 -6.204 1.00 0.00 N ATOM 308 CZ ARG A 24 -4.380 -10.110 -5.104 1.00 0.00 C ATOM 309 NH1 ARG A 24 -4.041 -9.551 -3.951 1.00 0.00 N ATOM 310 NH2 ARG A 24 -4.639 -11.411 -5.150 1.00 0.00 N ATOM 0 H ARG A 24 -5.094 -4.557 -7.939 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.386 -6.555 -9.595 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.223 -6.284 -6.570 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.694 -7.718 -7.461 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.465 -7.990 -8.361 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.963 -6.426 -7.751 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.105 -7.780 -6.094 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.681 -7.437 -5.408 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.766 -9.815 -7.070 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.851 -8.550 -3.906 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.970 -10.122 -3.109 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.911 -11.846 -6.032 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.566 -11.976 -4.304 1.00 0.00 H new ATOM 324 N ILE A 25 -8.093 -4.203 -8.364 1.00 0.00 N ATOM 325 CA ILE A 25 -9.429 -3.645 -8.189 1.00 0.00 C ATOM 326 C ILE A 25 -10.226 -3.716 -9.494 1.00 0.00 C ATOM 327 O ILE A 25 -11.456 -3.621 -9.492 1.00 0.00 O ATOM 328 CB ILE A 25 -9.369 -2.185 -7.674 1.00 0.00 C ATOM 329 CG1 ILE A 25 -10.656 -1.828 -6.926 1.00 0.00 C ATOM 330 CG2 ILE A 25 -9.127 -1.208 -8.820 1.00 0.00 C ATOM 331 CD1 ILE A 25 -10.555 -0.549 -6.124 1.00 0.00 C ATOM 0 H ILE A 25 -7.342 -3.513 -8.357 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.939 -4.248 -7.437 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.531 -2.105 -6.982 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.470 -1.733 -7.645 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -10.916 -2.648 -6.256 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.090 -0.191 -8.429 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.181 -1.445 -9.306 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.938 -1.289 -9.544 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -11.503 -0.359 -5.621 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.763 -0.647 -5.381 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.325 0.282 -6.791 1.00 0.00 H new ATOM 343 N THR A 26 -9.520 -3.917 -10.601 1.00 0.00 N ATOM 344 CA THR A 26 -10.148 -4.001 -11.912 1.00 0.00 C ATOM 345 C THR A 26 -11.005 -5.264 -12.048 1.00 0.00 C ATOM 346 O THR A 26 -12.031 -5.256 -12.729 1.00 0.00 O ATOM 347 CB THR A 26 -9.088 -3.977 -13.028 1.00 0.00 C ATOM 348 OG1 THR A 26 -8.045 -3.050 -12.687 1.00 0.00 O ATOM 349 CG2 THR A 26 -9.711 -3.578 -14.356 1.00 0.00 C ATOM 0 H THR A 26 -8.506 -4.025 -10.615 1.00 0.00 H new ATOM 0 HA THR A 26 -10.797 -3.131 -12.012 1.00 0.00 H new ATOM 0 HB THR A 26 -8.670 -4.979 -13.128 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.357 -3.510 -12.162 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.943 -3.568 -15.130 1.00 0.00 H new ATOM 0 HG22 THR A 26 -10.487 -4.295 -14.624 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.150 -2.584 -14.268 1.00 0.00 H new ATOM 357 N GLU A 27 -10.599 -6.343 -11.386 1.00 0.00 N ATOM 358 CA GLU A 27 -11.347 -7.595 -11.462 1.00 0.00 C ATOM 359 C GLU A 27 -12.329 -7.721 -10.301 1.00 0.00 C ATOM 360 O GLU A 27 -13.065 -8.702 -10.199 1.00 0.00 O ATOM 361 CB GLU A 27 -10.402 -8.798 -11.493 1.00 0.00 C ATOM 362 CG GLU A 27 -9.392 -8.828 -10.357 1.00 0.00 C ATOM 363 CD GLU A 27 -8.461 -10.018 -10.441 1.00 0.00 C ATOM 364 OE1 GLU A 27 -7.661 -10.087 -11.397 1.00 0.00 O ATOM 365 OE2 GLU A 27 -8.530 -10.894 -9.557 1.00 0.00 O ATOM 0 H GLU A 27 -9.767 -6.378 -10.797 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.917 -7.582 -12.391 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.995 -9.712 -11.461 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.865 -8.799 -12.442 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.805 -7.910 -10.373 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.922 -8.852 -9.405 1.00 0.00 H new ATOM 372 N LEU A 28 -12.339 -6.719 -9.433 1.00 0.00 N ATOM 373 CA LEU A 28 -13.233 -6.712 -8.285 1.00 0.00 C ATOM 374 C LEU A 28 -14.348 -5.696 -8.496 1.00 0.00 C ATOM 375 O LEU A 28 -15.521 -6.054 -8.600 1.00 0.00 O ATOM 376 CB LEU A 28 -12.452 -6.390 -7.008 1.00 0.00 C ATOM 377 CG LEU A 28 -11.355 -7.396 -6.649 1.00 0.00 C ATOM 378 CD1 LEU A 28 -10.419 -6.811 -5.603 1.00 0.00 C ATOM 379 CD2 LEU A 28 -11.971 -8.695 -6.151 1.00 0.00 C ATOM 0 H LEU A 28 -11.736 -5.899 -9.503 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.678 -7.701 -8.179 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.999 -5.404 -7.116 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.154 -6.329 -6.176 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.774 -7.612 -7.546 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.645 -7.539 -5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.955 -5.906 -5.995 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.985 -6.568 -4.704 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.179 -9.400 -5.900 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.574 -8.496 -5.265 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.602 -9.121 -6.931 1.00 0.00 H new ATOM 391 N ILE A 29 -13.966 -4.431 -8.583 1.00 0.00 N ATOM 392 CA ILE A 29 -14.918 -3.351 -8.789 1.00 0.00 C ATOM 393 C ILE A 29 -15.197 -3.172 -10.277 1.00 0.00 C ATOM 394 O ILE A 29 -16.334 -2.949 -10.689 1.00 0.00 O ATOM 395 CB ILE A 29 -14.390 -2.025 -8.191 1.00 0.00 C ATOM 396 CG1 ILE A 29 -14.221 -2.155 -6.675 1.00 0.00 C ATOM 397 CG2 ILE A 29 -15.316 -0.863 -8.527 1.00 0.00 C ATOM 398 CD1 ILE A 29 -15.512 -2.443 -5.939 1.00 0.00 C ATOM 0 H ILE A 29 -12.995 -4.126 -8.513 1.00 0.00 H new ATOM 0 HA ILE A 29 -15.844 -3.615 -8.279 1.00 0.00 H new ATOM 0 HB ILE A 29 -13.417 -1.817 -8.636 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -13.508 -2.953 -6.465 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.790 -1.232 -6.286 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -14.919 0.055 -8.094 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -15.384 -0.754 -9.609 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -16.308 -1.058 -8.119 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -15.312 -2.521 -4.870 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -16.221 -1.634 -6.117 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -15.934 -3.381 -6.299 1.00 0.00 H new ATOM 410 N GLY A 30 -14.155 -3.287 -11.083 1.00 0.00 N ATOM 411 CA GLY A 30 -14.313 -3.133 -12.516 1.00 0.00 C ATOM 412 C GLY A 30 -13.711 -1.839 -13.010 1.00 0.00 C ATOM 413 O GLY A 30 -13.694 -1.566 -14.209 1.00 0.00 O ATOM 0 H GLY A 30 -13.203 -3.484 -10.774 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -13.840 -3.972 -13.026 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.373 -3.161 -12.770 1.00 0.00 H new ATOM 417 N TYR A 31 -13.224 -1.039 -12.077 1.00 0.00 N ATOM 418 CA TYR A 31 -12.606 0.237 -12.400 1.00 0.00 C ATOM 419 C TYR A 31 -11.094 0.101 -12.382 1.00 0.00 C ATOM 420 O TYR A 31 -10.551 -0.715 -11.639 1.00 0.00 O ATOM 421 CB TYR A 31 -13.028 1.308 -11.392 1.00 0.00 C ATOM 422 CG TYR A 31 -14.096 2.251 -11.898 1.00 0.00 C ATOM 423 CD1 TYR A 31 -13.808 3.197 -12.875 1.00 0.00 C ATOM 424 CD2 TYR A 31 -15.391 2.197 -11.400 1.00 0.00 C ATOM 425 CE1 TYR A 31 -14.779 4.065 -13.335 1.00 0.00 C ATOM 426 CE2 TYR A 31 -16.368 3.062 -11.856 1.00 0.00 C ATOM 427 CZ TYR A 31 -16.057 3.992 -12.826 1.00 0.00 C ATOM 428 OH TYR A 31 -17.029 4.855 -13.284 1.00 0.00 O ATOM 0 H TYR A 31 -13.245 -1.253 -11.080 1.00 0.00 H new ATOM 0 HA TYR A 31 -12.935 0.535 -13.396 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -13.391 0.818 -10.489 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -12.151 1.890 -11.108 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -12.809 3.254 -13.281 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -15.639 1.467 -10.644 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -14.537 4.798 -14.091 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -17.369 3.010 -11.455 1.00 0.00 H new ATOM 0 HH TYR A 31 -17.874 4.670 -12.823 1.00 0.00 H new ATOM 438 N HIS A 32 -10.421 0.886 -13.204 1.00 0.00 N ATOM 439 CA HIS A 32 -8.969 0.860 -13.255 1.00 0.00 C ATOM 440 C HIS A 32 -8.408 1.865 -12.253 1.00 0.00 C ATOM 441 O HIS A 32 -9.050 2.875 -11.971 1.00 0.00 O ATOM 442 CB HIS A 32 -8.475 1.177 -14.667 1.00 0.00 C ATOM 443 CG HIS A 32 -7.457 0.202 -15.174 1.00 0.00 C ATOM 444 ND1 HIS A 32 -6.146 0.540 -15.419 1.00 0.00 N ATOM 445 CD2 HIS A 32 -7.566 -1.111 -15.476 1.00 0.00 C ATOM 446 CE1 HIS A 32 -5.491 -0.522 -15.851 1.00 0.00 C ATOM 447 NE2 HIS A 32 -6.331 -1.539 -15.894 1.00 0.00 N ATOM 0 H HIS A 32 -10.856 1.549 -13.845 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.620 -0.139 -12.993 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -9.326 1.189 -15.348 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.045 2.178 -14.677 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -5.742 1.467 -15.287 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -8.460 -1.712 -15.402 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.446 -0.553 -16.123 1.00 0.00 H new ATOM 456 N PRO A 33 -7.217 1.597 -11.693 1.00 0.00 N ATOM 457 CA PRO A 33 -6.572 2.480 -10.710 1.00 0.00 C ATOM 458 C PRO A 33 -6.582 3.962 -11.099 1.00 0.00 C ATOM 459 O PRO A 33 -7.008 4.811 -10.314 1.00 0.00 O ATOM 460 CB PRO A 33 -5.140 1.955 -10.668 1.00 0.00 C ATOM 461 CG PRO A 33 -5.267 0.507 -10.977 1.00 0.00 C ATOM 462 CD PRO A 33 -6.407 0.388 -11.951 1.00 0.00 C ATOM 0 HA PRO A 33 -7.098 2.456 -9.756 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.509 2.463 -11.397 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -4.687 2.114 -9.689 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.344 0.118 -11.407 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.465 -0.069 -10.073 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -6.052 0.356 -12.981 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -6.983 -0.523 -11.784 1.00 0.00 H new ATOM 470 N GLU A 34 -6.145 4.268 -12.316 1.00 0.00 N ATOM 471 CA GLU A 34 -6.078 5.651 -12.789 1.00 0.00 C ATOM 472 C GLU A 34 -7.469 6.258 -12.971 1.00 0.00 C ATOM 473 O GLU A 34 -7.615 7.475 -13.071 1.00 0.00 O ATOM 474 CB GLU A 34 -5.300 5.732 -14.107 1.00 0.00 C ATOM 475 CG GLU A 34 -6.066 5.205 -15.311 1.00 0.00 C ATOM 476 CD GLU A 34 -5.850 3.726 -15.558 1.00 0.00 C ATOM 477 OE1 GLU A 34 -5.570 2.983 -14.594 1.00 0.00 O ATOM 478 OE2 GLU A 34 -5.968 3.295 -16.723 1.00 0.00 O ATOM 0 H GLU A 34 -5.830 3.576 -12.997 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.556 6.228 -12.025 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.024 6.770 -14.291 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.372 5.169 -14.005 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.130 5.390 -15.165 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.764 5.762 -16.198 1.00 0.00 H new ATOM 485 N GLU A 35 -8.483 5.408 -13.000 1.00 0.00 N ATOM 486 CA GLU A 35 -9.852 5.863 -13.176 1.00 0.00 C ATOM 487 C GLU A 35 -10.510 6.159 -11.836 1.00 0.00 C ATOM 488 O GLU A 35 -11.608 6.708 -11.782 1.00 0.00 O ATOM 489 CB GLU A 35 -10.664 4.814 -13.936 1.00 0.00 C ATOM 490 CG GLU A 35 -10.494 4.895 -15.440 1.00 0.00 C ATOM 491 CD GLU A 35 -10.989 6.211 -15.997 1.00 0.00 C ATOM 492 OE1 GLU A 35 -12.211 6.344 -16.206 1.00 0.00 O ATOM 493 OE2 GLU A 35 -10.159 7.120 -16.215 1.00 0.00 O ATOM 0 H GLU A 35 -8.383 4.397 -12.904 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.827 6.786 -13.755 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.368 3.821 -13.597 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.719 4.934 -13.690 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.441 4.767 -15.693 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.037 4.075 -15.911 1.00 0.00 H new ATOM 500 N LEU A 36 -9.836 5.796 -10.755 1.00 0.00 N ATOM 501 CA LEU A 36 -10.369 6.024 -9.423 1.00 0.00 C ATOM 502 C LEU A 36 -9.646 7.170 -8.728 1.00 0.00 C ATOM 503 O LEU A 36 -10.238 7.891 -7.924 1.00 0.00 O ATOM 504 CB LEU A 36 -10.263 4.750 -8.588 1.00 0.00 C ATOM 505 CG LEU A 36 -11.181 3.612 -9.032 1.00 0.00 C ATOM 506 CD1 LEU A 36 -10.864 2.342 -8.262 1.00 0.00 C ATOM 507 CD2 LEU A 36 -12.641 4.000 -8.844 1.00 0.00 C ATOM 0 H LEU A 36 -8.922 5.344 -10.775 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.419 6.299 -9.522 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.232 4.398 -8.618 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.487 4.994 -7.549 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.009 3.424 -10.092 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.527 1.542 -8.591 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.829 2.054 -8.446 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.008 2.517 -7.196 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -13.280 3.178 -9.165 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.828 4.215 -7.792 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.862 4.885 -9.440 1.00 0.00 H new ATOM 519 N LEU A 37 -8.370 7.350 -9.040 1.00 0.00 N ATOM 520 CA LEU A 37 -7.597 8.412 -8.419 1.00 0.00 C ATOM 521 C LEU A 37 -7.942 9.763 -9.033 1.00 0.00 C ATOM 522 O LEU A 37 -8.152 9.874 -10.243 1.00 0.00 O ATOM 523 CB LEU A 37 -6.087 8.135 -8.515 1.00 0.00 C ATOM 524 CG LEU A 37 -5.522 7.929 -9.923 1.00 0.00 C ATOM 525 CD1 LEU A 37 -4.978 9.232 -10.488 1.00 0.00 C ATOM 526 CD2 LEU A 37 -4.434 6.870 -9.900 1.00 0.00 C ATOM 0 H LEU A 37 -7.855 6.781 -9.712 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.861 8.441 -7.362 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.557 8.967 -8.052 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.864 7.247 -7.924 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.332 7.591 -10.570 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.583 9.058 -11.489 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.779 9.970 -10.538 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.182 9.604 -9.843 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.039 6.732 -10.907 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.630 7.188 -9.236 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.850 5.929 -9.541 1.00 0.00 H new ATOM 538 N GLY A 38 -8.037 10.779 -8.186 1.00 0.00 N ATOM 539 CA GLY A 38 -8.350 12.116 -8.655 1.00 0.00 C ATOM 540 C GLY A 38 -9.811 12.478 -8.467 1.00 0.00 C ATOM 541 O GLY A 38 -10.178 13.652 -8.528 1.00 0.00 O ATOM 0 H GLY A 38 -7.902 10.701 -7.178 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.730 12.837 -8.122 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.094 12.195 -9.712 1.00 0.00 H new ATOM 545 N ARG A 39 -10.647 11.477 -8.231 1.00 0.00 N ATOM 546 CA ARG A 39 -12.074 11.707 -8.038 1.00 0.00 C ATOM 547 C ARG A 39 -12.477 11.420 -6.597 1.00 0.00 C ATOM 548 O ARG A 39 -11.689 10.885 -5.813 1.00 0.00 O ATOM 549 CB ARG A 39 -12.894 10.832 -8.994 1.00 0.00 C ATOM 550 CG ARG A 39 -13.017 9.383 -8.546 1.00 0.00 C ATOM 551 CD ARG A 39 -13.334 8.457 -9.709 1.00 0.00 C ATOM 552 NE ARG A 39 -14.614 8.771 -10.343 1.00 0.00 N ATOM 553 CZ ARG A 39 -14.876 8.554 -11.633 1.00 0.00 C ATOM 554 NH1 ARG A 39 -13.955 8.006 -12.417 1.00 0.00 N ATOM 555 NH2 ARG A 39 -16.065 8.875 -12.131 1.00 0.00 N ATOM 0 H ARG A 39 -10.364 10.499 -8.168 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.279 12.755 -8.255 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -13.892 11.257 -9.095 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -12.434 10.860 -9.982 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -12.086 9.068 -8.074 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -13.800 9.301 -7.792 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.538 8.526 -10.451 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -13.351 7.426 -9.354 1.00 0.00 H new ATOM 0 HE ARG A 39 -15.349 9.180 -9.766 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -13.045 7.750 -12.033 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.157 7.841 -13.403 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -16.776 9.287 -11.527 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -16.266 8.710 -13.117 1.00 0.00 H new ATOM 569 N SER A 40 -13.696 11.794 -6.250 1.00 0.00 N ATOM 570 CA SER A 40 -14.212 11.556 -4.916 1.00 0.00 C ATOM 571 C SER A 40 -14.682 10.110 -4.805 1.00 0.00 C ATOM 572 O SER A 40 -15.463 9.635 -5.630 1.00 0.00 O ATOM 573 CB SER A 40 -15.356 12.530 -4.607 1.00 0.00 C ATOM 574 OG SER A 40 -15.989 12.223 -3.375 1.00 0.00 O ATOM 0 H SER A 40 -14.348 12.265 -6.877 1.00 0.00 H new ATOM 0 HA SER A 40 -13.421 11.725 -4.185 1.00 0.00 H new ATOM 0 HB2 SER A 40 -14.968 13.548 -4.573 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.090 12.496 -5.412 1.00 0.00 H new ATOM 0 HG SER A 40 -16.961 12.212 -3.500 1.00 0.00 H new ATOM 580 N ALA A 41 -14.197 9.408 -3.792 1.00 0.00 N ATOM 581 CA ALA A 41 -14.561 8.015 -3.591 1.00 0.00 C ATOM 582 C ALA A 41 -15.964 7.908 -3.019 1.00 0.00 C ATOM 583 O ALA A 41 -16.636 6.894 -3.185 1.00 0.00 O ATOM 584 CB ALA A 41 -13.559 7.324 -2.680 1.00 0.00 C ATOM 0 H ALA A 41 -13.550 9.781 -3.097 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.545 7.514 -4.559 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.850 6.283 -2.543 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.567 7.367 -3.131 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.540 7.826 -1.713 1.00 0.00 H new ATOM 590 N TYR A 42 -16.413 8.980 -2.377 1.00 0.00 N ATOM 591 CA TYR A 42 -17.738 9.013 -1.770 1.00 0.00 C ATOM 592 C TYR A 42 -18.839 9.079 -2.828 1.00 0.00 C ATOM 593 O TYR A 42 -20.023 9.020 -2.502 1.00 0.00 O ATOM 594 CB TYR A 42 -17.854 10.199 -0.813 1.00 0.00 C ATOM 595 CG TYR A 42 -17.214 9.952 0.538 1.00 0.00 C ATOM 596 CD1 TYR A 42 -17.820 9.119 1.473 1.00 0.00 C ATOM 597 CD2 TYR A 42 -16.009 10.553 0.881 1.00 0.00 C ATOM 598 CE1 TYR A 42 -17.244 8.895 2.709 1.00 0.00 C ATOM 599 CE2 TYR A 42 -15.429 10.334 2.117 1.00 0.00 C ATOM 600 CZ TYR A 42 -16.051 9.504 3.026 1.00 0.00 C ATOM 601 OH TYR A 42 -15.477 9.285 4.258 1.00 0.00 O ATOM 0 H TYR A 42 -15.877 9.840 -2.263 1.00 0.00 H new ATOM 0 HA TYR A 42 -17.869 8.087 -1.209 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -17.390 11.072 -1.272 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -18.908 10.437 -0.669 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -18.756 8.639 1.229 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -15.518 11.202 0.171 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -17.728 8.245 3.423 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -14.493 10.811 2.369 1.00 0.00 H new ATOM 0 HH TYR A 42 -14.753 8.630 4.170 1.00 0.00 H new ATOM 611 N GLU A 43 -18.451 9.195 -4.094 1.00 0.00 N ATOM 612 CA GLU A 43 -19.422 9.257 -5.183 1.00 0.00 C ATOM 613 C GLU A 43 -19.914 7.856 -5.541 1.00 0.00 C ATOM 614 O GLU A 43 -20.856 7.691 -6.316 1.00 0.00 O ATOM 615 CB GLU A 43 -18.813 9.924 -6.420 1.00 0.00 C ATOM 616 CG GLU A 43 -18.169 11.274 -6.145 1.00 0.00 C ATOM 617 CD GLU A 43 -19.013 12.162 -5.259 1.00 0.00 C ATOM 618 OE1 GLU A 43 -19.983 12.763 -5.765 1.00 0.00 O ATOM 619 OE2 GLU A 43 -18.710 12.262 -4.049 1.00 0.00 O ATOM 0 H GLU A 43 -17.477 9.248 -4.391 1.00 0.00 H new ATOM 0 HA GLU A 43 -20.268 9.856 -4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -18.064 9.257 -6.848 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -19.592 10.052 -7.171 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -17.198 11.118 -5.674 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -17.986 11.783 -7.092 1.00 0.00 H new ATOM 626 N PHE A 44 -19.247 6.853 -4.990 1.00 0.00 N ATOM 627 CA PHE A 44 -19.606 5.460 -5.226 1.00 0.00 C ATOM 628 C PHE A 44 -19.277 4.625 -3.997 1.00 0.00 C ATOM 629 O PHE A 44 -19.242 3.395 -4.050 1.00 0.00 O ATOM 630 CB PHE A 44 -18.864 4.914 -6.454 1.00 0.00 C ATOM 631 CG PHE A 44 -17.419 5.329 -6.528 1.00 0.00 C ATOM 632 CD1 PHE A 44 -16.450 4.658 -5.799 1.00 0.00 C ATOM 633 CD2 PHE A 44 -17.032 6.392 -7.328 1.00 0.00 C ATOM 634 CE1 PHE A 44 -15.124 5.040 -5.867 1.00 0.00 C ATOM 635 CE2 PHE A 44 -15.709 6.778 -7.400 1.00 0.00 C ATOM 636 CZ PHE A 44 -14.753 6.101 -6.668 1.00 0.00 C ATOM 0 H PHE A 44 -18.447 6.979 -4.370 1.00 0.00 H new ATOM 0 HA PHE A 44 -20.677 5.402 -5.418 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -18.919 3.825 -6.445 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -19.375 5.252 -7.355 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -16.735 3.827 -5.171 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -17.775 6.925 -7.902 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -14.378 4.509 -5.294 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -15.421 7.608 -8.028 1.00 0.00 H new ATOM 0 HZ PHE A 44 -13.717 6.401 -6.722 1.00 0.00 H new ATOM 646 N TYR A 45 -19.047 5.307 -2.884 1.00 0.00 N ATOM 647 CA TYR A 45 -18.704 4.645 -1.637 1.00 0.00 C ATOM 648 C TYR A 45 -19.941 4.054 -0.979 1.00 0.00 C ATOM 649 O TYR A 45 -20.518 4.655 -0.072 1.00 0.00 O ATOM 650 CB TYR A 45 -18.016 5.619 -0.675 1.00 0.00 C ATOM 651 CG TYR A 45 -16.718 5.098 -0.095 1.00 0.00 C ATOM 652 CD1 TYR A 45 -16.517 3.738 0.108 1.00 0.00 C ATOM 653 CD2 TYR A 45 -15.697 5.970 0.260 1.00 0.00 C ATOM 654 CE1 TYR A 45 -15.336 3.264 0.646 1.00 0.00 C ATOM 655 CE2 TYR A 45 -14.512 5.502 0.795 1.00 0.00 C ATOM 656 CZ TYR A 45 -14.337 4.149 0.988 1.00 0.00 C ATOM 657 OH TYR A 45 -13.165 3.679 1.535 1.00 0.00 O ATOM 0 H TYR A 45 -19.093 6.324 -2.821 1.00 0.00 H new ATOM 0 HA TYR A 45 -18.012 3.836 -1.870 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -17.818 6.553 -1.200 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -18.700 5.851 0.142 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -17.297 3.040 -0.159 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -15.831 7.032 0.115 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -15.196 2.204 0.798 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -13.726 6.194 1.061 1.00 0.00 H new ATOM 0 HH TYR A 45 -12.510 3.524 0.822 1.00 0.00 H new ATOM 667 N HIS A 46 -20.340 2.879 -1.461 1.00 0.00 N ATOM 668 CA HIS A 46 -21.499 2.148 -0.936 1.00 0.00 C ATOM 669 C HIS A 46 -22.809 2.836 -1.311 1.00 0.00 C ATOM 670 O HIS A 46 -22.831 3.787 -2.101 1.00 0.00 O ATOM 671 CB HIS A 46 -21.439 1.998 0.595 1.00 0.00 C ATOM 672 CG HIS A 46 -20.114 1.566 1.141 1.00 0.00 C ATOM 673 ND1 HIS A 46 -19.684 1.902 2.408 1.00 0.00 N ATOM 674 CD2 HIS A 46 -19.118 0.837 0.590 1.00 0.00 C ATOM 675 CE1 HIS A 46 -18.483 1.403 2.609 1.00 0.00 C ATOM 676 NE2 HIS A 46 -18.116 0.755 1.523 1.00 0.00 N ATOM 0 H HIS A 46 -19.869 2.402 -2.230 1.00 0.00 H new ATOM 0 HA HIS A 46 -21.465 1.158 -1.391 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -21.707 2.952 1.048 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -22.194 1.275 0.903 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -20.214 2.452 3.084 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -19.112 0.401 -0.398 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -17.898 1.507 3.511 1.00 0.00 H new ATOM 685 N ALA A 47 -23.899 2.337 -0.743 1.00 0.00 N ATOM 686 CA ALA A 47 -25.222 2.893 -0.986 1.00 0.00 C ATOM 687 C ALA A 47 -25.858 3.313 0.332 1.00 0.00 C ATOM 688 O ALA A 47 -26.059 4.501 0.586 1.00 0.00 O ATOM 689 CB ALA A 47 -26.106 1.886 -1.707 1.00 0.00 C ATOM 0 H ALA A 47 -23.891 1.541 -0.105 1.00 0.00 H new ATOM 0 HA ALA A 47 -25.119 3.770 -1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -27.090 2.323 -1.878 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -25.654 1.624 -2.664 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -26.208 0.989 -1.096 1.00 0.00 H new ATOM 695 N LEU A 48 -26.151 2.329 1.173 1.00 0.00 N ATOM 696 CA LEU A 48 -26.753 2.579 2.476 1.00 0.00 C ATOM 697 C LEU A 48 -25.674 2.580 3.550 1.00 0.00 C ATOM 698 O LEU A 48 -25.857 3.113 4.645 1.00 0.00 O ATOM 699 CB LEU A 48 -27.821 1.522 2.795 1.00 0.00 C ATOM 700 CG LEU A 48 -27.305 0.095 3.023 1.00 0.00 C ATOM 701 CD1 LEU A 48 -28.263 -0.677 3.916 1.00 0.00 C ATOM 702 CD2 LEU A 48 -27.110 -0.633 1.697 1.00 0.00 C ATOM 0 H LEU A 48 -25.980 1.343 0.973 1.00 0.00 H new ATOM 0 HA LEU A 48 -27.238 3.555 2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -28.363 1.838 3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -28.540 1.501 1.976 1.00 0.00 H new ATOM 0 HG LEU A 48 -26.337 0.159 3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -27.884 -1.687 4.069 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -28.350 -0.173 4.878 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -29.243 -0.725 3.442 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -26.744 -1.642 1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -28.061 -0.686 1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -26.385 -0.092 1.088 1.00 0.00 H new ATOM 714 N ASP A 49 -24.536 1.994 3.210 1.00 0.00 N ATOM 715 CA ASP A 49 -23.396 1.903 4.113 1.00 0.00 C ATOM 716 C ASP A 49 -22.473 3.100 3.922 1.00 0.00 C ATOM 717 O ASP A 49 -21.307 3.076 4.328 1.00 0.00 O ATOM 718 CB ASP A 49 -22.606 0.604 3.868 1.00 0.00 C ATOM 719 CG ASP A 49 -23.258 -0.318 2.850 1.00 0.00 C ATOM 720 OD1 ASP A 49 -23.506 0.129 1.704 1.00 0.00 O ATOM 721 OD2 ASP A 49 -23.521 -1.487 3.193 1.00 0.00 O ATOM 0 H ASP A 49 -24.375 1.567 2.298 1.00 0.00 H new ATOM 0 HA ASP A 49 -23.776 1.898 5.135 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -21.602 0.857 3.527 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -22.497 0.071 4.812 1.00 0.00 H new ATOM 726 N SER A 50 -22.990 4.139 3.281 1.00 0.00 N ATOM 727 CA SER A 50 -22.221 5.348 3.034 1.00 0.00 C ATOM 728 C SER A 50 -21.953 6.078 4.348 1.00 0.00 C ATOM 729 O SER A 50 -20.825 6.494 4.617 1.00 0.00 O ATOM 730 CB SER A 50 -22.974 6.246 2.051 1.00 0.00 C ATOM 731 OG SER A 50 -23.484 5.484 0.967 1.00 0.00 O ATOM 0 H SER A 50 -23.944 4.167 2.921 1.00 0.00 H new ATOM 0 HA SER A 50 -21.260 5.082 2.593 1.00 0.00 H new ATOM 0 HB2 SER A 50 -23.792 6.750 2.565 1.00 0.00 H new ATOM 0 HB3 SER A 50 -22.307 7.022 1.675 1.00 0.00 H new ATOM 0 HG SER A 50 -24.435 5.301 1.115 1.00 0.00 H new ATOM 737 N GLU A 51 -22.992 6.188 5.174 1.00 0.00 N ATOM 738 CA GLU A 51 -22.896 6.851 6.472 1.00 0.00 C ATOM 739 C GLU A 51 -21.819 6.197 7.337 1.00 0.00 C ATOM 740 O GLU A 51 -21.041 6.881 8.002 1.00 0.00 O ATOM 741 CB GLU A 51 -24.252 6.787 7.180 1.00 0.00 C ATOM 742 CG GLU A 51 -24.437 7.829 8.273 1.00 0.00 C ATOM 743 CD GLU A 51 -23.842 7.411 9.601 1.00 0.00 C ATOM 744 OE1 GLU A 51 -23.971 6.229 9.975 1.00 0.00 O ATOM 745 OE2 GLU A 51 -23.244 8.268 10.282 1.00 0.00 O ATOM 0 H GLU A 51 -23.920 5.821 4.963 1.00 0.00 H new ATOM 0 HA GLU A 51 -22.618 7.893 6.314 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -25.042 6.910 6.439 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -24.375 5.795 7.615 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -23.978 8.765 7.955 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -25.501 8.024 8.404 1.00 0.00 H new ATOM 752 N ASN A 52 -21.780 4.867 7.306 1.00 0.00 N ATOM 753 CA ASN A 52 -20.805 4.094 8.076 1.00 0.00 C ATOM 754 C ASN A 52 -19.382 4.502 7.712 1.00 0.00 C ATOM 755 O ASN A 52 -18.506 4.592 8.574 1.00 0.00 O ATOM 756 CB ASN A 52 -20.984 2.595 7.811 1.00 0.00 C ATOM 757 CG ASN A 52 -22.370 2.091 8.162 1.00 0.00 C ATOM 758 OD1 ASN A 52 -23.318 2.259 7.391 1.00 0.00 O ATOM 759 ND2 ASN A 52 -22.494 1.450 9.311 1.00 0.00 N ATOM 0 H ASN A 52 -22.418 4.297 6.751 1.00 0.00 H new ATOM 0 HA ASN A 52 -20.974 4.299 9.133 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -20.786 2.392 6.759 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -20.245 2.039 8.388 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -23.400 1.072 9.589 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -21.684 1.333 9.920 1.00 0.00 H new ATOM 766 N MET A 53 -19.165 4.766 6.429 1.00 0.00 N ATOM 767 CA MET A 53 -17.849 5.158 5.941 1.00 0.00 C ATOM 768 C MET A 53 -17.497 6.566 6.407 1.00 0.00 C ATOM 769 O MET A 53 -16.375 6.817 6.849 1.00 0.00 O ATOM 770 CB MET A 53 -17.796 5.069 4.414 1.00 0.00 C ATOM 771 CG MET A 53 -16.425 5.367 3.832 1.00 0.00 C ATOM 772 SD MET A 53 -15.101 4.441 4.633 1.00 0.00 S ATOM 773 CE MET A 53 -15.636 2.753 4.370 1.00 0.00 C ATOM 0 H MET A 53 -19.884 4.716 5.708 1.00 0.00 H new ATOM 0 HA MET A 53 -17.112 4.469 6.354 1.00 0.00 H new ATOM 0 HB2 MET A 53 -18.102 4.069 4.106 1.00 0.00 H new ATOM 0 HB3 MET A 53 -18.519 5.767 3.993 1.00 0.00 H new ATOM 0 HG2 MET A 53 -16.430 5.134 2.767 1.00 0.00 H new ATOM 0 HG3 MET A 53 -16.222 6.434 3.924 1.00 0.00 H new ATOM 0 HE1 MET A 53 -14.785 2.080 4.480 1.00 0.00 H new ATOM 0 HE2 MET A 53 -16.400 2.495 5.104 1.00 0.00 H new ATOM 0 HE3 MET A 53 -16.049 2.654 3.366 1.00 0.00 H new ATOM 783 N THR A 54 -18.458 7.479 6.313 1.00 0.00 N ATOM 784 CA THR A 54 -18.249 8.854 6.742 1.00 0.00 C ATOM 785 C THR A 54 -17.913 8.900 8.231 1.00 0.00 C ATOM 786 O THR A 54 -17.055 9.673 8.668 1.00 0.00 O ATOM 787 CB THR A 54 -19.499 9.713 6.469 1.00 0.00 C ATOM 788 OG1 THR A 54 -19.928 9.532 5.111 1.00 0.00 O ATOM 789 CG2 THR A 54 -19.213 11.187 6.720 1.00 0.00 C ATOM 0 H THR A 54 -19.389 7.290 5.943 1.00 0.00 H new ATOM 0 HA THR A 54 -17.414 9.260 6.170 1.00 0.00 H new ATOM 0 HB THR A 54 -20.288 9.392 7.149 1.00 0.00 H new ATOM 0 HG1 THR A 54 -19.150 9.353 4.543 1.00 0.00 H new ATOM 0 HG21 THR A 54 -20.111 11.771 6.520 1.00 0.00 H new ATOM 0 HG22 THR A 54 -18.912 11.328 7.758 1.00 0.00 H new ATOM 0 HG23 THR A 54 -18.410 11.519 6.062 1.00 0.00 H new ATOM 797 N LYS A 55 -18.584 8.050 8.999 1.00 0.00 N ATOM 798 CA LYS A 55 -18.366 7.975 10.432 1.00 0.00 C ATOM 799 C LYS A 55 -16.966 7.451 10.729 1.00 0.00 C ATOM 800 O LYS A 55 -16.236 8.021 11.542 1.00 0.00 O ATOM 801 CB LYS A 55 -19.409 7.061 11.073 1.00 0.00 C ATOM 802 CG LYS A 55 -19.762 7.445 12.499 1.00 0.00 C ATOM 803 CD LYS A 55 -20.634 8.688 12.536 1.00 0.00 C ATOM 804 CE LYS A 55 -21.915 8.445 13.313 1.00 0.00 C ATOM 805 NZ LYS A 55 -22.720 7.337 12.734 1.00 0.00 N ATOM 0 H LYS A 55 -19.287 7.401 8.647 1.00 0.00 H new ATOM 0 HA LYS A 55 -18.462 8.976 10.851 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -20.315 7.077 10.467 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -19.037 6.037 11.063 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -20.283 6.618 12.982 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -18.849 7.622 13.067 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -20.080 9.509 12.992 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.877 8.994 11.518 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -21.671 8.212 14.349 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -22.511 9.358 13.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -23.709 7.427 13.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -22.677 7.382 11.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -22.338 6.425 13.057 1.00 0.00 H new ATOM 819 N SER A 56 -16.593 6.377 10.043 1.00 0.00 N ATOM 820 CA SER A 56 -15.285 5.758 10.226 1.00 0.00 C ATOM 821 C SER A 56 -14.160 6.710 9.823 1.00 0.00 C ATOM 822 O SER A 56 -13.068 6.670 10.392 1.00 0.00 O ATOM 823 CB SER A 56 -15.198 4.465 9.412 1.00 0.00 C ATOM 824 OG SER A 56 -16.249 3.573 9.750 1.00 0.00 O ATOM 0 H SER A 56 -17.182 5.914 9.351 1.00 0.00 H new ATOM 0 HA SER A 56 -15.166 5.525 11.284 1.00 0.00 H new ATOM 0 HB2 SER A 56 -15.244 4.698 8.348 1.00 0.00 H new ATOM 0 HB3 SER A 56 -14.237 3.983 9.592 1.00 0.00 H new ATOM 0 HG SER A 56 -17.048 3.797 9.229 1.00 0.00 H new ATOM 830 N HIS A 57 -14.437 7.569 8.845 1.00 0.00 N ATOM 831 CA HIS A 57 -13.456 8.537 8.359 1.00 0.00 C ATOM 832 C HIS A 57 -13.020 9.484 9.477 1.00 0.00 C ATOM 833 O HIS A 57 -11.871 9.922 9.521 1.00 0.00 O ATOM 834 CB HIS A 57 -14.040 9.340 7.187 1.00 0.00 C ATOM 835 CG HIS A 57 -13.047 10.227 6.491 1.00 0.00 C ATOM 836 ND1 HIS A 57 -13.393 11.417 5.889 1.00 0.00 N ATOM 837 CD2 HIS A 57 -11.716 10.087 6.297 1.00 0.00 C ATOM 838 CE1 HIS A 57 -12.320 11.969 5.357 1.00 0.00 C ATOM 839 NE2 HIS A 57 -11.284 11.182 5.592 1.00 0.00 N ATOM 0 H HIS A 57 -15.339 7.614 8.371 1.00 0.00 H new ATOM 0 HA HIS A 57 -12.579 7.988 8.015 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -14.462 8.646 6.460 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -14.862 9.954 7.556 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -11.105 9.264 6.635 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -12.292 12.906 4.820 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -10.323 11.359 5.298 1.00 0.00 H new ATOM 848 N GLN A 58 -13.937 9.781 10.384 1.00 0.00 N ATOM 849 CA GLN A 58 -13.650 10.682 11.490 1.00 0.00 C ATOM 850 C GLN A 58 -12.752 10.005 12.520 1.00 0.00 C ATOM 851 O GLN A 58 -11.708 10.543 12.896 1.00 0.00 O ATOM 852 CB GLN A 58 -14.952 11.146 12.145 1.00 0.00 C ATOM 853 CG GLN A 58 -15.968 11.686 11.151 1.00 0.00 C ATOM 854 CD GLN A 58 -15.392 12.769 10.259 1.00 0.00 C ATOM 855 OE1 GLN A 58 -14.554 13.564 10.685 1.00 0.00 O ATOM 856 NE2 GLN A 58 -15.826 12.794 9.010 1.00 0.00 N ATOM 0 H GLN A 58 -14.888 9.411 10.376 1.00 0.00 H new ATOM 0 HA GLN A 58 -13.124 11.552 11.097 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -15.394 10.311 12.688 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -14.726 11.920 12.879 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -16.335 10.868 10.532 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -16.825 12.085 11.694 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -16.522 12.116 8.698 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -15.465 13.491 8.359 1.00 0.00 H new ATOM 865 N ASN A 59 -13.154 8.815 12.951 1.00 0.00 N ATOM 866 CA ASN A 59 -12.393 8.051 13.939 1.00 0.00 C ATOM 867 C ASN A 59 -10.991 7.746 13.426 1.00 0.00 C ATOM 868 O ASN A 59 -10.022 7.795 14.181 1.00 0.00 O ATOM 869 CB ASN A 59 -13.125 6.750 14.288 1.00 0.00 C ATOM 870 CG ASN A 59 -12.327 5.853 15.223 1.00 0.00 C ATOM 871 OD1 ASN A 59 -11.591 4.974 14.779 1.00 0.00 O ATOM 872 ND2 ASN A 59 -12.468 6.070 16.521 1.00 0.00 N ATOM 0 H ASN A 59 -14.006 8.355 12.631 1.00 0.00 H new ATOM 0 HA ASN A 59 -12.304 8.656 14.841 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -14.081 6.991 14.752 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -13.345 6.205 13.370 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.956 5.498 17.192 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.089 6.810 16.850 1.00 0.00 H new ATOM 879 N LEU A 60 -10.895 7.452 12.132 1.00 0.00 N ATOM 880 CA LEU A 60 -9.616 7.140 11.498 1.00 0.00 C ATOM 881 C LEU A 60 -8.610 8.275 11.681 1.00 0.00 C ATOM 882 O LEU A 60 -7.441 8.032 11.969 1.00 0.00 O ATOM 883 CB LEU A 60 -9.825 6.868 10.003 1.00 0.00 C ATOM 884 CG LEU A 60 -8.547 6.758 9.166 1.00 0.00 C ATOM 885 CD1 LEU A 60 -7.795 5.475 9.486 1.00 0.00 C ATOM 886 CD2 LEU A 60 -8.879 6.831 7.684 1.00 0.00 C ATOM 0 H LEU A 60 -11.693 7.423 11.498 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.212 6.249 11.979 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.389 5.941 9.896 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.441 7.666 9.589 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.899 7.597 9.419 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.892 5.421 8.878 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.523 5.466 10.542 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.430 4.617 9.268 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.961 6.752 7.101 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.548 6.012 7.420 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.366 7.782 7.467 1.00 0.00 H new ATOM 898 N CYS A 61 -9.077 9.509 11.537 1.00 0.00 N ATOM 899 CA CYS A 61 -8.211 10.676 11.664 1.00 0.00 C ATOM 900 C CYS A 61 -7.721 10.869 13.099 1.00 0.00 C ATOM 901 O CYS A 61 -6.621 11.374 13.324 1.00 0.00 O ATOM 902 CB CYS A 61 -8.949 11.929 11.193 1.00 0.00 C ATOM 903 SG CYS A 61 -9.580 11.816 9.503 1.00 0.00 S ATOM 0 H CYS A 61 -10.052 9.728 11.332 1.00 0.00 H new ATOM 0 HA CYS A 61 -7.337 10.507 11.035 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -9.782 12.124 11.869 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -8.275 12.783 11.262 1.00 0.00 H new ATOM 0 HG CYS A 61 -10.755 11.259 9.515 1.00 0.00 H new ATOM 909 N THR A 62 -8.531 10.466 14.064 1.00 0.00 N ATOM 910 CA THR A 62 -8.168 10.612 15.464 1.00 0.00 C ATOM 911 C THR A 62 -7.327 9.431 15.950 1.00 0.00 C ATOM 912 O THR A 62 -6.254 9.618 16.525 1.00 0.00 O ATOM 913 CB THR A 62 -9.427 10.735 16.337 1.00 0.00 C ATOM 914 OG1 THR A 62 -10.419 11.497 15.639 1.00 0.00 O ATOM 915 CG2 THR A 62 -9.110 11.406 17.664 1.00 0.00 C ATOM 0 H THR A 62 -9.442 10.036 13.904 1.00 0.00 H new ATOM 0 HA THR A 62 -7.573 11.521 15.553 1.00 0.00 H new ATOM 0 HB THR A 62 -9.803 9.733 16.542 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.223 11.574 16.194 1.00 0.00 H new ATOM 0 HG21 THR A 62 -10.019 11.480 18.261 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.369 10.815 18.203 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.714 12.405 17.481 1.00 0.00 H new ATOM 923 N LYS A 63 -7.809 8.221 15.690 1.00 0.00 N ATOM 924 CA LYS A 63 -7.122 7.007 16.116 1.00 0.00 C ATOM 925 C LYS A 63 -5.825 6.789 15.345 1.00 0.00 C ATOM 926 O LYS A 63 -4.818 6.370 15.914 1.00 0.00 O ATOM 927 CB LYS A 63 -8.035 5.791 15.932 1.00 0.00 C ATOM 928 CG LYS A 63 -8.530 5.192 17.238 1.00 0.00 C ATOM 929 CD LYS A 63 -8.437 3.674 17.227 1.00 0.00 C ATOM 930 CE LYS A 63 -9.505 3.046 16.346 1.00 0.00 C ATOM 931 NZ LYS A 63 -9.252 1.598 16.120 1.00 0.00 N ATOM 0 H LYS A 63 -8.678 8.054 15.183 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.873 7.127 17.170 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.894 6.082 15.328 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.497 5.026 15.373 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.942 5.587 18.066 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.564 5.493 17.409 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.451 3.373 16.872 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.538 3.297 18.245 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.482 3.176 16.811 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.536 3.564 15.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.144 1.125 15.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.569 1.482 15.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.866 1.173 16.987 1.00 0.00 H new ATOM 945 N GLY A 64 -5.850 7.068 14.050 1.00 0.00 N ATOM 946 CA GLY A 64 -4.673 6.867 13.225 1.00 0.00 C ATOM 947 C GLY A 64 -4.687 5.500 12.577 1.00 0.00 C ATOM 948 O GLY A 64 -3.878 5.204 11.698 1.00 0.00 O ATOM 0 H GLY A 64 -6.664 7.430 13.554 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.629 7.637 12.455 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.776 6.974 13.834 1.00 0.00 H new ATOM 952 N GLN A 65 -5.618 4.669 13.018 1.00 0.00 N ATOM 953 CA GLN A 65 -5.776 3.323 12.499 1.00 0.00 C ATOM 954 C GLN A 65 -7.146 2.801 12.905 1.00 0.00 C ATOM 955 O GLN A 65 -7.517 2.878 14.074 1.00 0.00 O ATOM 956 CB GLN A 65 -4.675 2.398 13.033 1.00 0.00 C ATOM 957 CG GLN A 65 -4.448 1.164 12.173 1.00 0.00 C ATOM 958 CD GLN A 65 -3.275 0.327 12.644 1.00 0.00 C ATOM 959 OE1 GLN A 65 -2.980 0.263 13.837 1.00 0.00 O ATOM 960 NE2 GLN A 65 -2.584 -0.307 11.709 1.00 0.00 N ATOM 0 H GLN A 65 -6.287 4.912 13.749 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.693 3.344 11.412 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.743 2.959 13.103 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.934 2.084 14.044 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.350 0.552 12.178 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.278 1.472 11.141 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.860 -0.229 10.730 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.776 -0.873 11.968 1.00 0.00 H new ATOM 969 N VAL A 66 -7.904 2.296 11.948 1.00 0.00 N ATOM 970 CA VAL A 66 -9.234 1.781 12.234 1.00 0.00 C ATOM 971 C VAL A 66 -9.522 0.542 11.397 1.00 0.00 C ATOM 972 O VAL A 66 -9.117 0.451 10.235 1.00 0.00 O ATOM 973 CB VAL A 66 -10.330 2.853 11.988 1.00 0.00 C ATOM 974 CG1 VAL A 66 -10.431 3.214 10.513 1.00 0.00 C ATOM 975 CG2 VAL A 66 -11.680 2.385 12.519 1.00 0.00 C ATOM 0 H VAL A 66 -7.624 2.231 10.969 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.257 1.512 13.290 1.00 0.00 H new ATOM 0 HB VAL A 66 -10.039 3.751 12.534 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -11.207 3.967 10.375 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.476 3.611 10.169 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -10.683 2.324 9.937 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -12.430 3.154 12.334 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -11.971 1.465 12.012 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -11.605 2.201 13.591 1.00 0.00 H new ATOM 985 N VAL A 67 -10.195 -0.421 12.004 1.00 0.00 N ATOM 986 CA VAL A 67 -10.546 -1.651 11.320 1.00 0.00 C ATOM 987 C VAL A 67 -12.025 -1.643 10.964 1.00 0.00 C ATOM 988 O VAL A 67 -12.873 -2.022 11.776 1.00 0.00 O ATOM 989 CB VAL A 67 -10.240 -2.898 12.174 1.00 0.00 C ATOM 990 CG1 VAL A 67 -10.231 -4.149 11.307 1.00 0.00 C ATOM 991 CG2 VAL A 67 -8.917 -2.742 12.905 1.00 0.00 C ATOM 0 H VAL A 67 -10.510 -0.373 12.973 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.939 -1.702 10.416 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.028 -3.002 12.920 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.013 -5.019 11.926 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.207 -4.273 10.837 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.467 -4.052 10.536 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.723 -3.634 13.501 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.114 -2.608 12.180 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.963 -1.872 13.560 1.00 0.00 H new ATOM 1001 N SER A 68 -12.329 -1.178 9.763 1.00 0.00 N ATOM 1002 CA SER A 68 -13.698 -1.122 9.293 1.00 0.00 C ATOM 1003 C SER A 68 -14.241 -2.531 9.108 1.00 0.00 C ATOM 1004 O SER A 68 -13.622 -3.363 8.435 1.00 0.00 O ATOM 1005 CB SER A 68 -13.769 -0.341 7.981 1.00 0.00 C ATOM 1006 OG SER A 68 -13.040 0.870 8.078 1.00 0.00 O ATOM 0 H SER A 68 -11.640 -0.833 9.095 1.00 0.00 H new ATOM 0 HA SER A 68 -14.311 -0.609 10.034 1.00 0.00 H new ATOM 0 HB2 SER A 68 -13.369 -0.948 7.169 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.809 -0.126 7.736 1.00 0.00 H new ATOM 0 HG SER A 68 -13.096 1.355 7.228 1.00 0.00 H new ATOM 1012 N GLY A 69 -15.387 -2.793 9.723 1.00 0.00 N ATOM 1013 CA GLY A 69 -16.001 -4.099 9.635 1.00 0.00 C ATOM 1014 C GLY A 69 -16.376 -4.462 8.216 1.00 0.00 C ATOM 1015 O GLY A 69 -16.625 -3.577 7.392 1.00 0.00 O ATOM 0 H GLY A 69 -15.904 -2.117 10.285 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.315 -4.848 10.030 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -16.893 -4.122 10.261 1.00 0.00 H new ATOM 1019 N GLN A 70 -16.406 -5.761 7.939 1.00 0.00 N ATOM 1020 CA GLN A 70 -16.746 -6.277 6.616 1.00 0.00 C ATOM 1021 C GLN A 70 -18.043 -5.660 6.102 1.00 0.00 C ATOM 1022 O GLN A 70 -19.089 -5.760 6.746 1.00 0.00 O ATOM 1023 CB GLN A 70 -16.875 -7.800 6.666 1.00 0.00 C ATOM 1024 CG GLN A 70 -15.746 -8.473 7.433 1.00 0.00 C ATOM 1025 CD GLN A 70 -15.902 -9.976 7.519 1.00 0.00 C ATOM 1026 OE1 GLN A 70 -17.016 -10.502 7.539 1.00 0.00 O ATOM 1027 NE2 GLN A 70 -14.785 -10.680 7.575 1.00 0.00 N ATOM 0 H GLN A 70 -16.196 -6.487 8.624 1.00 0.00 H new ATOM 0 HA GLN A 70 -15.945 -6.005 5.929 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -17.827 -8.062 7.128 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -16.897 -8.190 5.648 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -14.797 -8.239 6.951 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -15.702 -8.060 8.441 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.882 -10.206 7.556 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.826 -11.697 7.637 1.00 0.00 H new ATOM 1036 N TYR A 71 -17.961 -5.007 4.954 1.00 0.00 N ATOM 1037 CA TYR A 71 -19.120 -4.365 4.356 1.00 0.00 C ATOM 1038 C TYR A 71 -19.204 -4.680 2.868 1.00 0.00 C ATOM 1039 O TYR A 71 -18.343 -5.374 2.324 1.00 0.00 O ATOM 1040 CB TYR A 71 -19.057 -2.845 4.570 1.00 0.00 C ATOM 1041 CG TYR A 71 -17.776 -2.190 4.075 1.00 0.00 C ATOM 1042 CD1 TYR A 71 -17.446 -2.185 2.724 1.00 0.00 C ATOM 1043 CD2 TYR A 71 -16.905 -1.564 4.959 1.00 0.00 C ATOM 1044 CE1 TYR A 71 -16.291 -1.584 2.272 1.00 0.00 C ATOM 1045 CE2 TYR A 71 -15.748 -0.955 4.510 1.00 0.00 C ATOM 1046 CZ TYR A 71 -15.448 -0.969 3.165 1.00 0.00 C ATOM 1047 OH TYR A 71 -14.305 -0.357 2.710 1.00 0.00 O ATOM 0 H TYR A 71 -17.100 -4.908 4.416 1.00 0.00 H new ATOM 0 HA TYR A 71 -20.014 -4.754 4.843 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -19.905 -2.384 4.063 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -19.169 -2.636 5.634 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -18.107 -2.661 2.015 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -17.136 -1.553 6.014 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -16.050 -1.597 1.219 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -15.083 -0.471 5.210 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.609 -0.411 3.398 1.00 0.00 H new ATOM 1057 N ARG A 72 -20.239 -4.166 2.219 1.00 0.00 N ATOM 1058 CA ARG A 72 -20.423 -4.373 0.792 1.00 0.00 C ATOM 1059 C ARG A 72 -20.078 -3.098 0.021 1.00 0.00 C ATOM 1060 O ARG A 72 -20.450 -1.993 0.422 1.00 0.00 O ATOM 1061 CB ARG A 72 -21.858 -4.831 0.488 1.00 0.00 C ATOM 1062 CG ARG A 72 -22.927 -3.789 0.780 1.00 0.00 C ATOM 1063 CD ARG A 72 -24.319 -4.313 0.463 1.00 0.00 C ATOM 1064 NE ARG A 72 -24.804 -5.226 1.496 1.00 0.00 N ATOM 1065 CZ ARG A 72 -24.988 -6.535 1.320 1.00 0.00 C ATOM 1066 NH1 ARG A 72 -24.788 -7.085 0.129 1.00 0.00 N ATOM 1067 NH2 ARG A 72 -25.392 -7.289 2.335 1.00 0.00 N ATOM 0 H ARG A 72 -20.965 -3.602 2.660 1.00 0.00 H new ATOM 0 HA ARG A 72 -19.746 -5.162 0.466 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -21.921 -5.113 -0.563 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -22.072 -5.726 1.072 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -22.877 -3.499 1.830 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -22.732 -2.892 0.192 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -25.009 -3.475 0.365 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -24.304 -4.827 -0.498 1.00 0.00 H new ATOM 0 HE ARG A 72 -25.016 -4.835 2.414 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -24.492 -6.506 -0.657 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -24.930 -8.087 -0.001 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -25.561 -6.867 3.248 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -25.533 -8.290 2.202 1.00 0.00 H new ATOM 1081 N MET A 73 -19.333 -3.257 -1.063 1.00 0.00 N ATOM 1082 CA MET A 73 -18.927 -2.134 -1.900 1.00 0.00 C ATOM 1083 C MET A 73 -19.510 -2.279 -3.302 1.00 0.00 C ATOM 1084 O MET A 73 -19.471 -3.360 -3.885 1.00 0.00 O ATOM 1085 CB MET A 73 -17.398 -2.049 -1.967 1.00 0.00 C ATOM 1086 CG MET A 73 -16.881 -0.938 -2.865 1.00 0.00 C ATOM 1087 SD MET A 73 -17.278 0.704 -2.236 1.00 0.00 S ATOM 1088 CE MET A 73 -16.535 1.721 -3.509 1.00 0.00 C ATOM 0 H MET A 73 -18.994 -4.163 -1.387 1.00 0.00 H new ATOM 0 HA MET A 73 -19.310 -1.214 -1.458 1.00 0.00 H new ATOM 0 HB2 MET A 73 -17.008 -1.900 -0.960 1.00 0.00 H new ATOM 0 HB3 MET A 73 -17.006 -3.002 -2.323 1.00 0.00 H new ATOM 0 HG2 MET A 73 -15.800 -1.032 -2.967 1.00 0.00 H new ATOM 0 HG3 MET A 73 -17.307 -1.054 -3.862 1.00 0.00 H new ATOM 0 HE1 MET A 73 -16.403 2.736 -3.133 1.00 0.00 H new ATOM 0 HE2 MET A 73 -15.565 1.307 -3.785 1.00 0.00 H new ATOM 0 HE3 MET A 73 -17.184 1.740 -4.385 1.00 0.00 H new ATOM 1098 N LEU A 74 -20.045 -1.188 -3.834 1.00 0.00 N ATOM 1099 CA LEU A 74 -20.652 -1.195 -5.161 1.00 0.00 C ATOM 1100 C LEU A 74 -19.591 -1.263 -6.258 1.00 0.00 C ATOM 1101 O LEU A 74 -18.586 -0.554 -6.207 1.00 0.00 O ATOM 1102 CB LEU A 74 -21.517 0.058 -5.347 1.00 0.00 C ATOM 1103 CG LEU A 74 -22.154 0.222 -6.732 1.00 0.00 C ATOM 1104 CD1 LEU A 74 -23.179 -0.874 -6.990 1.00 0.00 C ATOM 1105 CD2 LEU A 74 -22.795 1.597 -6.863 1.00 0.00 C ATOM 0 H LEU A 74 -20.071 -0.282 -3.365 1.00 0.00 H new ATOM 0 HA LEU A 74 -21.277 -2.084 -5.241 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -22.311 0.044 -4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -20.903 0.935 -5.143 1.00 0.00 H new ATOM 0 HG LEU A 74 -21.368 0.134 -7.482 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -23.617 -0.737 -7.978 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -22.691 -1.847 -6.941 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.964 -0.824 -6.235 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -23.243 1.697 -7.852 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -23.567 1.713 -6.102 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -22.035 2.367 -6.729 1.00 0.00 H new ATOM 1117 N ALA A 75 -19.821 -2.132 -7.233 1.00 0.00 N ATOM 1118 CA ALA A 75 -18.911 -2.291 -8.356 1.00 0.00 C ATOM 1119 C ALA A 75 -19.349 -1.413 -9.527 1.00 0.00 C ATOM 1120 O ALA A 75 -20.408 -0.786 -9.478 1.00 0.00 O ATOM 1121 CB ALA A 75 -18.845 -3.753 -8.776 1.00 0.00 C ATOM 0 H ALA A 75 -20.638 -2.742 -7.267 1.00 0.00 H new ATOM 0 HA ALA A 75 -17.915 -1.975 -8.047 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -18.161 -3.859 -9.618 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -18.489 -4.356 -7.941 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -19.838 -4.092 -9.071 1.00 0.00 H new ATOM 1127 N LYS A 76 -18.542 -1.383 -10.582 1.00 0.00 N ATOM 1128 CA LYS A 76 -18.845 -0.573 -11.759 1.00 0.00 C ATOM 1129 C LYS A 76 -20.039 -1.143 -12.515 1.00 0.00 C ATOM 1130 O LYS A 76 -21.020 -0.445 -12.763 1.00 0.00 O ATOM 1131 CB LYS A 76 -17.626 -0.497 -12.686 1.00 0.00 C ATOM 1132 CG LYS A 76 -17.816 0.432 -13.877 1.00 0.00 C ATOM 1133 CD LYS A 76 -16.531 0.584 -14.678 1.00 0.00 C ATOM 1134 CE LYS A 76 -16.429 -0.457 -15.781 1.00 0.00 C ATOM 1135 NZ LYS A 76 -15.060 -0.527 -16.358 1.00 0.00 N ATOM 0 H LYS A 76 -17.672 -1.911 -10.647 1.00 0.00 H new ATOM 0 HA LYS A 76 -19.095 0.433 -11.422 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.764 -0.162 -12.110 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -17.396 -1.498 -13.051 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.604 0.042 -14.522 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -18.146 1.410 -13.527 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.490 1.582 -15.115 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.674 0.493 -14.011 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -16.705 -1.434 -15.384 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -17.143 -0.220 -16.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -15.088 -1.049 -17.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -14.705 0.436 -16.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -14.428 -1.017 -15.693 1.00 0.00 H new ATOM 1149 N HIS A 77 -19.949 -2.415 -12.876 1.00 0.00 N ATOM 1150 CA HIS A 77 -21.027 -3.083 -13.606 1.00 0.00 C ATOM 1151 C HIS A 77 -22.247 -3.308 -12.719 1.00 0.00 C ATOM 1152 O HIS A 77 -23.365 -3.456 -13.211 1.00 0.00 O ATOM 1153 CB HIS A 77 -20.548 -4.422 -14.185 1.00 0.00 C ATOM 1154 CG HIS A 77 -19.983 -5.380 -13.173 1.00 0.00 C ATOM 1155 ND1 HIS A 77 -20.742 -6.331 -12.528 1.00 0.00 N ATOM 1156 CD2 HIS A 77 -18.721 -5.531 -12.705 1.00 0.00 C ATOM 1157 CE1 HIS A 77 -19.974 -7.023 -11.707 1.00 0.00 C ATOM 1158 NE2 HIS A 77 -18.742 -6.558 -11.796 1.00 0.00 N ATOM 0 H HIS A 77 -19.143 -3.008 -12.678 1.00 0.00 H new ATOM 0 HA HIS A 77 -21.317 -2.426 -14.426 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -21.385 -4.903 -14.692 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -19.788 -4.224 -14.941 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -17.858 -4.950 -12.994 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -20.299 -7.833 -11.070 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -17.937 -6.905 -11.274 1.00 0.00 H new ATOM 1167 N GLY A 78 -22.026 -3.323 -11.417 1.00 0.00 N ATOM 1168 CA GLY A 78 -23.107 -3.544 -10.482 1.00 0.00 C ATOM 1169 C GLY A 78 -22.738 -4.586 -9.455 1.00 0.00 C ATOM 1170 O GLY A 78 -21.690 -5.224 -9.572 1.00 0.00 O ATOM 0 H GLY A 78 -21.111 -3.185 -10.987 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -23.355 -2.608 -9.981 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -23.999 -3.862 -11.022 1.00 0.00 H new ATOM 1174 N GLY A 79 -23.591 -4.762 -8.459 1.00 0.00 N ATOM 1175 CA GLY A 79 -23.325 -5.731 -7.416 1.00 0.00 C ATOM 1176 C GLY A 79 -22.467 -5.153 -6.315 1.00 0.00 C ATOM 1177 O GLY A 79 -21.796 -4.137 -6.509 1.00 0.00 O ATOM 0 H GLY A 79 -24.466 -4.249 -8.353 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -24.268 -6.080 -6.996 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -22.827 -6.600 -7.846 1.00 0.00 H new ATOM 1181 N TYR A 80 -22.488 -5.791 -5.156 1.00 0.00 N ATOM 1182 CA TYR A 80 -21.709 -5.323 -4.022 1.00 0.00 C ATOM 1183 C TYR A 80 -20.776 -6.414 -3.511 1.00 0.00 C ATOM 1184 O TYR A 80 -21.218 -7.504 -3.159 1.00 0.00 O ATOM 1185 CB TYR A 80 -22.634 -4.861 -2.891 1.00 0.00 C ATOM 1186 CG TYR A 80 -23.508 -3.677 -3.247 1.00 0.00 C ATOM 1187 CD1 TYR A 80 -24.658 -3.847 -4.004 1.00 0.00 C ATOM 1188 CD2 TYR A 80 -23.187 -2.394 -2.821 1.00 0.00 C ATOM 1189 CE1 TYR A 80 -25.461 -2.775 -4.331 1.00 0.00 C ATOM 1190 CE2 TYR A 80 -23.987 -1.314 -3.145 1.00 0.00 C ATOM 1191 CZ TYR A 80 -25.125 -1.511 -3.899 1.00 0.00 C ATOM 1192 OH TYR A 80 -25.928 -0.443 -4.228 1.00 0.00 O ATOM 0 H TYR A 80 -23.035 -6.633 -4.976 1.00 0.00 H new ATOM 0 HA TYR A 80 -21.105 -4.480 -4.358 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -23.273 -5.694 -2.596 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -22.027 -4.602 -2.023 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -24.929 -4.836 -4.343 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -22.298 -2.238 -2.227 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -26.351 -2.926 -4.924 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -23.722 -0.322 -2.810 1.00 0.00 H new ATOM 0 HH TYR A 80 -26.855 -0.747 -4.320 1.00 0.00 H new ATOM 1202 N VAL A 81 -19.485 -6.116 -3.486 1.00 0.00 N ATOM 1203 CA VAL A 81 -18.486 -7.064 -3.006 1.00 0.00 C ATOM 1204 C VAL A 81 -18.312 -6.924 -1.497 1.00 0.00 C ATOM 1205 O VAL A 81 -18.422 -5.826 -0.956 1.00 0.00 O ATOM 1206 CB VAL A 81 -17.118 -6.864 -3.700 1.00 0.00 C ATOM 1207 CG1 VAL A 81 -17.174 -7.340 -5.141 1.00 0.00 C ATOM 1208 CG2 VAL A 81 -16.684 -5.407 -3.640 1.00 0.00 C ATOM 0 H VAL A 81 -19.102 -5.222 -3.793 1.00 0.00 H new ATOM 0 HA VAL A 81 -18.846 -8.064 -3.249 1.00 0.00 H new ATOM 0 HB VAL A 81 -16.380 -7.462 -3.165 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -16.202 -7.191 -5.612 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -17.430 -8.399 -5.165 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -17.930 -6.772 -5.683 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -15.719 -5.294 -4.135 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -17.425 -4.786 -4.143 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -16.596 -5.096 -2.599 1.00 0.00 H new ATOM 1218 N TRP A 82 -18.044 -8.031 -0.822 1.00 0.00 N ATOM 1219 CA TRP A 82 -17.874 -8.016 0.626 1.00 0.00 C ATOM 1220 C TRP A 82 -16.403 -7.985 1.001 1.00 0.00 C ATOM 1221 O TRP A 82 -15.651 -8.913 0.688 1.00 0.00 O ATOM 1222 CB TRP A 82 -18.536 -9.237 1.255 1.00 0.00 C ATOM 1223 CG TRP A 82 -19.982 -9.038 1.577 1.00 0.00 C ATOM 1224 CD1 TRP A 82 -21.029 -9.072 0.705 1.00 0.00 C ATOM 1225 CD2 TRP A 82 -20.538 -8.773 2.868 1.00 0.00 C ATOM 1226 NE1 TRP A 82 -22.207 -8.854 1.376 1.00 0.00 N ATOM 1227 CE2 TRP A 82 -21.932 -8.663 2.706 1.00 0.00 C ATOM 1228 CE3 TRP A 82 -19.992 -8.620 4.145 1.00 0.00 C ATOM 1229 CZ2 TRP A 82 -22.785 -8.405 3.776 1.00 0.00 C ATOM 1230 CZ3 TRP A 82 -20.840 -8.366 5.205 1.00 0.00 C ATOM 1231 CH2 TRP A 82 -22.225 -8.261 5.016 1.00 0.00 C ATOM 0 H TRP A 82 -17.939 -8.950 -1.251 1.00 0.00 H new ATOM 0 HA TRP A 82 -18.351 -7.113 1.007 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -18.438 -10.083 0.575 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -18.002 -9.498 2.169 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -20.944 -9.245 -0.358 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -23.135 -8.837 0.954 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -18.926 -8.699 4.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -23.852 -8.321 3.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -20.429 -8.246 6.197 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -22.862 -8.063 5.865 1.00 0.00 H new ATOM 1242 N LEU A 83 -15.999 -6.923 1.682 1.00 0.00 N ATOM 1243 CA LEU A 83 -14.616 -6.768 2.100 1.00 0.00 C ATOM 1244 C LEU A 83 -14.497 -5.867 3.325 1.00 0.00 C ATOM 1245 O LEU A 83 -15.301 -4.952 3.524 1.00 0.00 O ATOM 1246 CB LEU A 83 -13.764 -6.207 0.952 1.00 0.00 C ATOM 1247 CG LEU A 83 -14.510 -5.353 -0.078 1.00 0.00 C ATOM 1248 CD1 LEU A 83 -14.621 -3.912 0.390 1.00 0.00 C ATOM 1249 CD2 LEU A 83 -13.810 -5.422 -1.424 1.00 0.00 C ATOM 0 H LEU A 83 -16.612 -6.155 1.957 1.00 0.00 H new ATOM 0 HA LEU A 83 -14.245 -7.757 2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.961 -5.607 1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.295 -7.042 0.432 1.00 0.00 H new ATOM 0 HG LEU A 83 -15.519 -5.752 -0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -15.155 -3.326 -0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -15.165 -3.877 1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -13.623 -3.497 0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -14.350 -4.811 -2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.791 -5.049 -1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -13.786 -6.456 -1.769 1.00 0.00 H new ATOM 1261 N GLU A 84 -13.498 -6.150 4.152 1.00 0.00 N ATOM 1262 CA GLU A 84 -13.235 -5.358 5.348 1.00 0.00 C ATOM 1263 C GLU A 84 -12.189 -4.299 5.018 1.00 0.00 C ATOM 1264 O GLU A 84 -11.729 -4.225 3.875 1.00 0.00 O ATOM 1265 CB GLU A 84 -12.768 -6.251 6.503 1.00 0.00 C ATOM 1266 CG GLU A 84 -11.897 -7.417 6.067 1.00 0.00 C ATOM 1267 CD GLU A 84 -11.618 -8.387 7.193 1.00 0.00 C ATOM 1268 OE1 GLU A 84 -12.505 -9.204 7.515 1.00 0.00 O ATOM 1269 OE2 GLU A 84 -10.514 -8.339 7.771 1.00 0.00 O ATOM 0 H GLU A 84 -12.852 -6.928 4.015 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.155 -4.869 5.669 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.213 -5.643 7.218 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.642 -6.639 7.026 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.387 -7.946 5.250 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.953 -7.035 5.679 1.00 0.00 H new ATOM 1276 N THR A 85 -11.802 -3.477 5.985 1.00 0.00 N ATOM 1277 CA THR A 85 -10.826 -2.432 5.706 1.00 0.00 C ATOM 1278 C THR A 85 -9.911 -2.125 6.892 1.00 0.00 C ATOM 1279 O THR A 85 -10.367 -1.777 7.977 1.00 0.00 O ATOM 1280 CB THR A 85 -11.539 -1.138 5.265 1.00 0.00 C ATOM 1281 OG1 THR A 85 -12.373 -1.414 4.134 1.00 0.00 O ATOM 1282 CG2 THR A 85 -10.537 -0.053 4.907 1.00 0.00 C ATOM 0 H THR A 85 -12.139 -3.511 6.947 1.00 0.00 H new ATOM 0 HA THR A 85 -10.196 -2.813 4.902 1.00 0.00 H new ATOM 0 HB THR A 85 -12.146 -0.780 6.097 1.00 0.00 H new ATOM 0 HG1 THR A 85 -13.210 -1.824 4.437 1.00 0.00 H new ATOM 0 HG21 THR A 85 -11.070 0.847 4.600 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.917 0.171 5.775 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.905 -0.397 4.089 1.00 0.00 H new ATOM 1290 N GLN A 86 -8.615 -2.268 6.661 1.00 0.00 N ATOM 1291 CA GLN A 86 -7.608 -1.967 7.665 1.00 0.00 C ATOM 1292 C GLN A 86 -6.959 -0.632 7.308 1.00 0.00 C ATOM 1293 O GLN A 86 -5.945 -0.583 6.607 1.00 0.00 O ATOM 1294 CB GLN A 86 -6.555 -3.080 7.724 1.00 0.00 C ATOM 1295 CG GLN A 86 -5.511 -2.883 8.814 1.00 0.00 C ATOM 1296 CD GLN A 86 -6.083 -3.024 10.210 1.00 0.00 C ATOM 1297 OE1 GLN A 86 -7.036 -3.767 10.430 1.00 0.00 O ATOM 1298 NE2 GLN A 86 -5.501 -2.313 11.163 1.00 0.00 N ATOM 0 H GLN A 86 -8.233 -2.595 5.774 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.073 -1.902 8.649 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -7.057 -4.034 7.884 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.052 -3.142 6.759 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.711 -3.611 8.679 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -5.064 -1.894 8.708 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.712 -1.708 10.938 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.842 -2.371 12.123 1.00 0.00 H new ATOM 1307 N GLY A 87 -7.570 0.450 7.763 1.00 0.00 N ATOM 1308 CA GLY A 87 -7.064 1.772 7.463 1.00 0.00 C ATOM 1309 C GLY A 87 -5.998 2.223 8.434 1.00 0.00 C ATOM 1310 O GLY A 87 -6.215 2.226 9.643 1.00 0.00 O ATOM 0 H GLY A 87 -8.412 0.436 8.338 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.656 1.779 6.452 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.889 2.484 7.479 1.00 0.00 H new ATOM 1314 N THR A 88 -4.843 2.598 7.905 1.00 0.00 N ATOM 1315 CA THR A 88 -3.738 3.059 8.728 1.00 0.00 C ATOM 1316 C THR A 88 -3.215 4.399 8.216 1.00 0.00 C ATOM 1317 O THR A 88 -2.836 4.529 7.049 1.00 0.00 O ATOM 1318 CB THR A 88 -2.593 2.029 8.747 1.00 0.00 C ATOM 1319 OG1 THR A 88 -3.123 0.719 8.995 1.00 0.00 O ATOM 1320 CG2 THR A 88 -1.566 2.374 9.815 1.00 0.00 C ATOM 0 H THR A 88 -4.647 2.591 6.904 1.00 0.00 H new ATOM 0 HA THR A 88 -4.110 3.183 9.745 1.00 0.00 H new ATOM 0 HB THR A 88 -2.100 2.049 7.775 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.198 0.231 8.149 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.769 1.631 9.807 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.146 3.359 9.611 1.00 0.00 H new ATOM 0 HG23 THR A 88 -2.046 2.380 10.793 1.00 0.00 H new ATOM 1328 N VAL A 89 -3.217 5.394 9.090 1.00 0.00 N ATOM 1329 CA VAL A 89 -2.746 6.720 8.740 1.00 0.00 C ATOM 1330 C VAL A 89 -1.232 6.798 8.885 1.00 0.00 C ATOM 1331 O VAL A 89 -0.700 6.904 9.994 1.00 0.00 O ATOM 1332 CB VAL A 89 -3.406 7.811 9.615 1.00 0.00 C ATOM 1333 CG1 VAL A 89 -2.853 9.191 9.283 1.00 0.00 C ATOM 1334 CG2 VAL A 89 -4.917 7.788 9.445 1.00 0.00 C ATOM 0 H VAL A 89 -3.542 5.304 10.053 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.025 6.901 7.702 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.169 7.595 10.657 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.335 9.938 9.914 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.778 9.205 9.462 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.049 9.419 8.235 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.365 8.562 10.068 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.168 7.972 8.400 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.302 6.813 9.745 1.00 0.00 H new ATOM 1344 N ILE A 90 -0.540 6.695 7.764 1.00 0.00 N ATOM 1345 CA ILE A 90 0.906 6.776 7.757 1.00 0.00 C ATOM 1346 C ILE A 90 1.326 8.191 7.385 1.00 0.00 C ATOM 1347 O ILE A 90 0.853 8.753 6.392 1.00 0.00 O ATOM 1348 CB ILE A 90 1.539 5.762 6.777 1.00 0.00 C ATOM 1349 CG1 ILE A 90 0.945 4.366 6.996 1.00 0.00 C ATOM 1350 CG2 ILE A 90 3.052 5.731 6.950 1.00 0.00 C ATOM 1351 CD1 ILE A 90 1.339 3.358 5.935 1.00 0.00 C ATOM 0 H ILE A 90 -0.960 6.555 6.845 1.00 0.00 H new ATOM 0 HA ILE A 90 1.264 6.527 8.756 1.00 0.00 H new ATOM 0 HB ILE A 90 1.314 6.077 5.758 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.262 3.996 7.971 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.142 4.444 7.023 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.483 5.012 6.253 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.461 6.721 6.750 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.296 5.437 7.971 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.880 2.395 6.159 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.998 3.704 4.959 1.00 0.00 H new ATOM 0 HD13 ILE A 90 2.423 3.249 5.922 1.00 0.00 H new ATOM 1363 N TYR A 91 2.181 8.776 8.199 1.00 0.00 N ATOM 1364 CA TYR A 91 2.650 10.130 7.962 1.00 0.00 C ATOM 1365 C TYR A 91 3.823 10.143 6.988 1.00 0.00 C ATOM 1366 O TYR A 91 4.641 9.221 6.964 1.00 0.00 O ATOM 1367 CB TYR A 91 3.033 10.791 9.287 1.00 0.00 C ATOM 1368 CG TYR A 91 1.836 11.262 10.082 1.00 0.00 C ATOM 1369 CD1 TYR A 91 1.118 10.390 10.891 1.00 0.00 C ATOM 1370 CD2 TYR A 91 1.421 12.584 10.011 1.00 0.00 C ATOM 1371 CE1 TYR A 91 0.018 10.825 11.606 1.00 0.00 C ATOM 1372 CE2 TYR A 91 0.322 13.025 10.720 1.00 0.00 C ATOM 1373 CZ TYR A 91 -0.375 12.144 11.517 1.00 0.00 C ATOM 1374 OH TYR A 91 -1.476 12.582 12.218 1.00 0.00 O ATOM 0 H TYR A 91 2.567 8.335 9.034 1.00 0.00 H new ATOM 0 HA TYR A 91 1.840 10.701 7.508 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.605 10.083 9.887 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.686 11.640 9.087 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.424 9.357 10.962 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.967 13.279 9.391 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -0.531 10.136 12.231 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.010 14.057 10.650 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.615 13.537 12.046 1.00 0.00 H new ATOM 1384 N ASN A 92 3.882 11.186 6.171 1.00 0.00 N ATOM 1385 CA ASN A 92 4.943 11.338 5.185 1.00 0.00 C ATOM 1386 C ASN A 92 5.979 12.335 5.690 1.00 0.00 C ATOM 1387 O ASN A 92 5.704 13.532 5.775 1.00 0.00 O ATOM 1388 CB ASN A 92 4.353 11.803 3.847 1.00 0.00 C ATOM 1389 CG ASN A 92 5.408 12.226 2.841 1.00 0.00 C ATOM 1390 OD1 ASN A 92 6.537 11.740 2.859 1.00 0.00 O ATOM 1391 ND2 ASN A 92 5.042 13.139 1.953 1.00 0.00 N ATOM 0 H ASN A 92 3.201 11.945 6.173 1.00 0.00 H new ATOM 0 HA ASN A 92 5.432 10.376 5.031 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.757 10.996 3.421 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.676 12.638 4.027 1.00 0.00 H new ATOM 0 HD21 ASN A 92 5.707 13.463 1.251 1.00 0.00 H new ATOM 0 HD22 ASN A 92 4.095 13.518 1.972 1.00 0.00 H new ATOM 1398 N PRO A 93 7.187 11.851 6.019 1.00 0.00 N ATOM 1399 CA PRO A 93 8.276 12.692 6.534 1.00 0.00 C ATOM 1400 C PRO A 93 8.798 13.684 5.496 1.00 0.00 C ATOM 1401 O PRO A 93 9.507 14.632 5.831 1.00 0.00 O ATOM 1402 CB PRO A 93 9.370 11.682 6.897 1.00 0.00 C ATOM 1403 CG PRO A 93 9.082 10.487 6.056 1.00 0.00 C ATOM 1404 CD PRO A 93 7.588 10.436 5.912 1.00 0.00 C ATOM 0 HA PRO A 93 7.944 13.306 7.371 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.362 12.082 6.688 1.00 0.00 H new ATOM 0 HB3 PRO A 93 9.343 11.434 7.958 1.00 0.00 H new ATOM 0 HG2 PRO A 93 9.566 10.569 5.083 1.00 0.00 H new ATOM 0 HG3 PRO A 93 9.461 9.579 6.525 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.291 10.005 4.956 1.00 0.00 H new ATOM 0 HD3 PRO A 93 7.129 9.828 6.692 1.00 0.00 H new ATOM 1412 N ARG A 94 8.442 13.464 4.237 1.00 0.00 N ATOM 1413 CA ARG A 94 8.881 14.334 3.155 1.00 0.00 C ATOM 1414 C ARG A 94 8.038 15.606 3.088 1.00 0.00 C ATOM 1415 O ARG A 94 8.491 16.633 2.582 1.00 0.00 O ATOM 1416 CB ARG A 94 8.811 13.591 1.819 1.00 0.00 C ATOM 1417 CG ARG A 94 10.157 13.424 1.136 1.00 0.00 C ATOM 1418 CD ARG A 94 10.750 14.762 0.729 1.00 0.00 C ATOM 1419 NE ARG A 94 11.626 14.630 -0.430 1.00 0.00 N ATOM 1420 CZ ARG A 94 12.942 14.464 -0.354 1.00 0.00 C ATOM 1421 NH1 ARG A 94 13.541 14.439 0.829 1.00 0.00 N ATOM 1422 NH2 ARG A 94 13.656 14.326 -1.466 1.00 0.00 N ATOM 0 H ARG A 94 7.849 12.689 3.940 1.00 0.00 H new ATOM 0 HA ARG A 94 9.913 14.621 3.355 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.374 12.606 1.985 1.00 0.00 H new ATOM 0 HB3 ARG A 94 8.139 14.129 1.150 1.00 0.00 H new ATOM 0 HG2 ARG A 94 10.845 12.910 1.808 1.00 0.00 H new ATOM 0 HG3 ARG A 94 10.042 12.794 0.254 1.00 0.00 H new ATOM 0 HD2 ARG A 94 9.947 15.463 0.501 1.00 0.00 H new ATOM 0 HD3 ARG A 94 11.311 15.181 1.564 1.00 0.00 H new ATOM 0 HE ARG A 94 11.202 14.667 -1.357 1.00 0.00 H new ATOM 0 HH11 ARG A 94 12.991 14.547 1.681 1.00 0.00 H new ATOM 0 HH12 ARG A 94 14.551 14.311 0.886 1.00 0.00 H new ATOM 0 HH21 ARG A 94 13.194 14.348 -2.375 1.00 0.00 H new ATOM 0 HH22 ARG A 94 14.666 14.198 -1.411 1.00 0.00 H new ATOM 1436 N ASN A 95 6.819 15.545 3.608 1.00 0.00 N ATOM 1437 CA ASN A 95 5.931 16.702 3.579 1.00 0.00 C ATOM 1438 C ASN A 95 5.423 17.057 4.975 1.00 0.00 C ATOM 1439 O ASN A 95 4.713 18.047 5.150 1.00 0.00 O ATOM 1440 CB ASN A 95 4.752 16.432 2.648 1.00 0.00 C ATOM 1441 CG ASN A 95 4.286 17.681 1.928 1.00 0.00 C ATOM 1442 OD1 ASN A 95 3.573 18.505 2.493 1.00 0.00 O ATOM 1443 ND2 ASN A 95 4.669 17.826 0.673 1.00 0.00 N ATOM 0 H ASN A 95 6.424 14.715 4.051 1.00 0.00 H new ATOM 0 HA ASN A 95 6.503 17.552 3.206 1.00 0.00 H new ATOM 0 HB2 ASN A 95 5.037 15.678 1.914 1.00 0.00 H new ATOM 0 HB3 ASN A 95 3.925 16.018 3.225 1.00 0.00 H new ATOM 0 HD21 ASN A 95 4.372 18.644 0.140 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.262 17.120 0.236 1.00 0.00 H new ATOM 1450 N LEU A 96 5.779 16.230 5.958 1.00 0.00 N ATOM 1451 CA LEU A 96 5.380 16.436 7.355 1.00 0.00 C ATOM 1452 C LEU A 96 3.862 16.360 7.528 1.00 0.00 C ATOM 1453 O LEU A 96 3.298 16.974 8.436 1.00 0.00 O ATOM 1454 CB LEU A 96 5.904 17.782 7.883 1.00 0.00 C ATOM 1455 CG LEU A 96 7.353 17.782 8.375 1.00 0.00 C ATOM 1456 CD1 LEU A 96 7.595 16.611 9.309 1.00 0.00 C ATOM 1457 CD2 LEU A 96 8.328 17.750 7.206 1.00 0.00 C ATOM 0 H LEU A 96 6.351 15.399 5.811 1.00 0.00 H new ATOM 0 HA LEU A 96 5.826 15.630 7.938 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.809 18.524 7.091 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.261 18.105 8.702 1.00 0.00 H new ATOM 0 HG LEU A 96 7.524 18.706 8.927 1.00 0.00 H new ATOM 0 HD11 LEU A 96 8.630 16.625 9.650 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.929 16.687 10.168 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.400 15.678 8.781 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.350 17.751 7.585 1.00 0.00 H new ATOM 0 HD22 LEU A 96 8.160 16.849 6.617 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.173 18.628 6.579 1.00 0.00 H new ATOM 1469 N GLN A 97 3.205 15.591 6.671 1.00 0.00 N ATOM 1470 CA GLN A 97 1.757 15.443 6.734 1.00 0.00 C ATOM 1471 C GLN A 97 1.349 14.012 6.390 1.00 0.00 C ATOM 1472 O GLN A 97 2.127 13.273 5.785 1.00 0.00 O ATOM 1473 CB GLN A 97 1.073 16.435 5.786 1.00 0.00 C ATOM 1474 CG GLN A 97 1.394 16.215 4.317 1.00 0.00 C ATOM 1475 CD GLN A 97 0.444 16.958 3.397 1.00 0.00 C ATOM 1476 OE1 GLN A 97 -0.736 17.124 3.704 1.00 0.00 O ATOM 1477 NE2 GLN A 97 0.955 17.422 2.270 1.00 0.00 N ATOM 0 H GLN A 97 3.651 15.060 5.924 1.00 0.00 H new ATOM 0 HA GLN A 97 1.435 15.659 7.753 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -0.006 16.368 5.925 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.367 17.447 6.063 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.415 16.540 4.119 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.350 15.149 4.095 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.939 17.263 2.053 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.366 17.939 1.618 1.00 0.00 H new ATOM 1486 N PRO A 98 0.134 13.595 6.786 1.00 0.00 N ATOM 1487 CA PRO A 98 -0.366 12.247 6.508 1.00 0.00 C ATOM 1488 C PRO A 98 -0.733 12.064 5.037 1.00 0.00 C ATOM 1489 O PRO A 98 -1.896 12.173 4.650 1.00 0.00 O ATOM 1490 CB PRO A 98 -1.604 12.136 7.400 1.00 0.00 C ATOM 1491 CG PRO A 98 -2.077 13.539 7.569 1.00 0.00 C ATOM 1492 CD PRO A 98 -0.845 14.401 7.544 1.00 0.00 C ATOM 0 HA PRO A 98 0.381 11.479 6.709 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -2.370 11.513 6.938 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -1.360 11.682 8.361 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -2.764 13.818 6.770 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -2.617 13.658 8.509 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -1.036 15.358 7.059 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -0.489 14.620 8.551 1.00 0.00 H new ATOM 1500 N GLN A 99 0.272 11.800 4.219 1.00 0.00 N ATOM 1501 CA GLN A 99 0.068 11.611 2.791 1.00 0.00 C ATOM 1502 C GLN A 99 0.101 10.129 2.429 1.00 0.00 C ATOM 1503 O GLN A 99 -0.227 9.749 1.305 1.00 0.00 O ATOM 1504 CB GLN A 99 1.155 12.359 2.019 1.00 0.00 C ATOM 1505 CG GLN A 99 0.635 13.205 0.868 1.00 0.00 C ATOM 1506 CD GLN A 99 1.698 14.133 0.309 1.00 0.00 C ATOM 1507 OE1 GLN A 99 2.600 14.565 1.026 1.00 0.00 O ATOM 1508 NE2 GLN A 99 1.601 14.443 -0.974 1.00 0.00 N ATOM 0 H GLN A 99 1.242 11.711 4.521 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.912 12.006 2.522 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.698 13.002 2.711 1.00 0.00 H new ATOM 0 HB3 GLN A 99 1.870 11.635 1.628 1.00 0.00 H new ATOM 0 HG2 GLN A 99 0.273 12.551 0.074 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -0.216 13.795 1.209 1.00 0.00 H new ATOM 0 HE21 GLN A 99 0.838 14.064 -1.534 1.00 0.00 H new ATOM 0 HE22 GLN A 99 2.290 15.061 -1.403 1.00 0.00 H new ATOM 1517 N CYS A 100 0.481 9.293 3.387 1.00 0.00 N ATOM 1518 CA CYS A 100 0.579 7.859 3.152 1.00 0.00 C ATOM 1519 C CYS A 100 -0.576 7.101 3.810 1.00 0.00 C ATOM 1520 O CYS A 100 -0.412 5.965 4.253 1.00 0.00 O ATOM 1521 CB CYS A 100 1.923 7.332 3.670 1.00 0.00 C ATOM 1522 SG CYS A 100 3.349 8.339 3.192 1.00 0.00 S ATOM 0 H CYS A 100 0.726 9.584 4.333 1.00 0.00 H new ATOM 0 HA CYS A 100 0.516 7.690 2.077 1.00 0.00 H new ATOM 0 HB2 CYS A 100 1.882 7.273 4.758 1.00 0.00 H new ATOM 0 HB3 CYS A 100 2.069 6.317 3.301 1.00 0.00 H new ATOM 0 HG CYS A 100 3.499 8.294 1.901 1.00 0.00 H new ATOM 1528 N ILE A 101 -1.747 7.728 3.874 1.00 0.00 N ATOM 1529 CA ILE A 101 -2.914 7.084 4.465 1.00 0.00 C ATOM 1530 C ILE A 101 -3.420 5.991 3.533 1.00 0.00 C ATOM 1531 O ILE A 101 -3.979 6.275 2.471 1.00 0.00 O ATOM 1532 CB ILE A 101 -4.057 8.084 4.741 1.00 0.00 C ATOM 1533 CG1 ILE A 101 -3.526 9.318 5.476 1.00 0.00 C ATOM 1534 CG2 ILE A 101 -5.157 7.408 5.551 1.00 0.00 C ATOM 1535 CD1 ILE A 101 -4.574 10.388 5.707 1.00 0.00 C ATOM 0 H ILE A 101 -1.912 8.673 3.527 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.604 6.660 5.420 1.00 0.00 H new ATOM 0 HB ILE A 101 -4.475 8.411 3.789 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.117 9.009 6.438 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.703 9.745 4.903 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -5.959 8.121 5.741 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -5.551 6.559 4.992 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -4.749 7.060 6.500 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -4.124 11.230 6.232 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.966 10.726 4.748 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -5.386 9.978 6.307 1.00 0.00 H new ATOM 1547 N MET A 102 -3.200 4.744 3.917 1.00 0.00 N ATOM 1548 CA MET A 102 -3.616 3.615 3.102 1.00 0.00 C ATOM 1549 C MET A 102 -4.575 2.720 3.871 1.00 0.00 C ATOM 1550 O MET A 102 -4.507 2.621 5.097 1.00 0.00 O ATOM 1551 CB MET A 102 -2.397 2.807 2.646 1.00 0.00 C ATOM 1552 CG MET A 102 -1.342 3.636 1.932 1.00 0.00 C ATOM 1553 SD MET A 102 -0.170 2.628 1.003 1.00 0.00 S ATOM 1554 CE MET A 102 0.556 1.645 2.315 1.00 0.00 C ATOM 0 H MET A 102 -2.736 4.488 4.788 1.00 0.00 H new ATOM 0 HA MET A 102 -4.132 4.003 2.223 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.944 2.330 3.515 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.730 2.009 1.982 1.00 0.00 H new ATOM 0 HG2 MET A 102 -1.833 4.333 1.253 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.799 4.234 2.664 1.00 0.00 H new ATOM 0 HE1 MET A 102 1.375 1.048 1.912 1.00 0.00 H new ATOM 0 HE2 MET A 102 0.937 2.304 3.095 1.00 0.00 H new ATOM 0 HE3 MET A 102 -0.202 0.984 2.736 1.00 0.00 H new ATOM 1564 N CYS A 103 -5.477 2.081 3.147 1.00 0.00 N ATOM 1565 CA CYS A 103 -6.450 1.191 3.751 1.00 0.00 C ATOM 1566 C CYS A 103 -6.421 -0.166 3.059 1.00 0.00 C ATOM 1567 O CYS A 103 -6.651 -0.262 1.854 1.00 0.00 O ATOM 1568 CB CYS A 103 -7.848 1.804 3.664 1.00 0.00 C ATOM 1569 SG CYS A 103 -7.932 3.512 4.252 1.00 0.00 S ATOM 0 H CYS A 103 -5.555 2.164 2.133 1.00 0.00 H new ATOM 0 HA CYS A 103 -6.196 1.051 4.802 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -8.187 1.769 2.629 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.539 1.194 4.246 1.00 0.00 H new ATOM 0 HG CYS A 103 -9.151 3.950 4.140 1.00 0.00 H new ATOM 1575 N VAL A 104 -6.110 -1.203 3.820 1.00 0.00 N ATOM 1576 CA VAL A 104 -6.046 -2.556 3.285 1.00 0.00 C ATOM 1577 C VAL A 104 -7.443 -3.158 3.197 1.00 0.00 C ATOM 1578 O VAL A 104 -8.143 -3.254 4.202 1.00 0.00 O ATOM 1579 CB VAL A 104 -5.155 -3.458 4.162 1.00 0.00 C ATOM 1580 CG1 VAL A 104 -4.936 -4.812 3.507 1.00 0.00 C ATOM 1581 CG2 VAL A 104 -3.826 -2.779 4.446 1.00 0.00 C ATOM 0 H VAL A 104 -5.897 -1.134 4.815 1.00 0.00 H new ATOM 0 HA VAL A 104 -5.611 -2.498 2.287 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.669 -3.623 5.109 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.304 -5.428 4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.897 -5.306 3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.450 -4.675 2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.210 -3.430 5.066 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.311 -2.580 3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.002 -1.839 4.970 1.00 0.00 H new ATOM 1591 N ASN A 105 -7.849 -3.560 2.004 1.00 0.00 N ATOM 1592 CA ASN A 105 -9.173 -4.134 1.809 1.00 0.00 C ATOM 1593 C ASN A 105 -9.094 -5.638 1.573 1.00 0.00 C ATOM 1594 O ASN A 105 -8.570 -6.097 0.557 1.00 0.00 O ATOM 1595 CB ASN A 105 -9.882 -3.456 0.635 1.00 0.00 C ATOM 1596 CG ASN A 105 -10.543 -2.147 1.023 1.00 0.00 C ATOM 1597 OD1 ASN A 105 -9.911 -1.089 1.027 1.00 0.00 O ATOM 1598 ND2 ASN A 105 -11.827 -2.206 1.338 1.00 0.00 N ATOM 0 H ASN A 105 -7.284 -3.500 1.157 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.748 -3.962 2.719 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -9.161 -3.271 -0.161 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -10.636 -4.133 0.232 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -12.328 -1.356 1.596 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -12.315 -3.101 1.323 1.00 0.00 H new ATOM 1605 N TYR A 106 -9.615 -6.398 2.526 1.00 0.00 N ATOM 1606 CA TYR A 106 -9.617 -7.853 2.441 1.00 0.00 C ATOM 1607 C TYR A 106 -10.912 -8.340 1.800 1.00 0.00 C ATOM 1608 O TYR A 106 -11.965 -8.317 2.438 1.00 0.00 O ATOM 1609 CB TYR A 106 -9.482 -8.476 3.835 1.00 0.00 C ATOM 1610 CG TYR A 106 -8.258 -8.044 4.608 1.00 0.00 C ATOM 1611 CD1 TYR A 106 -8.248 -6.863 5.341 1.00 0.00 C ATOM 1612 CD2 TYR A 106 -7.116 -8.829 4.616 1.00 0.00 C ATOM 1613 CE1 TYR A 106 -7.130 -6.478 6.057 1.00 0.00 C ATOM 1614 CE2 TYR A 106 -5.997 -8.453 5.328 1.00 0.00 C ATOM 1615 CZ TYR A 106 -6.007 -7.278 6.046 1.00 0.00 C ATOM 1616 OH TYR A 106 -4.889 -6.906 6.759 1.00 0.00 O ATOM 0 H TYR A 106 -10.045 -6.028 3.374 1.00 0.00 H new ATOM 0 HA TYR A 106 -8.768 -8.158 1.829 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.369 -8.225 4.417 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -9.465 -9.561 3.732 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -9.128 -6.236 5.351 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -7.102 -9.752 4.055 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -7.136 -5.557 6.621 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -5.116 -9.078 5.323 1.00 0.00 H new ATOM 0 HH TYR A 106 -4.188 -7.581 6.644 1.00 0.00 H new ATOM 1626 N VAL A 107 -10.839 -8.767 0.544 1.00 0.00 N ATOM 1627 CA VAL A 107 -12.020 -9.256 -0.161 1.00 0.00 C ATOM 1628 C VAL A 107 -12.392 -10.646 0.338 1.00 0.00 C ATOM 1629 O VAL A 107 -11.580 -11.569 0.292 1.00 0.00 O ATOM 1630 CB VAL A 107 -11.803 -9.304 -1.691 1.00 0.00 C ATOM 1631 CG1 VAL A 107 -13.086 -9.707 -2.408 1.00 0.00 C ATOM 1632 CG2 VAL A 107 -11.304 -7.962 -2.200 1.00 0.00 C ATOM 0 H VAL A 107 -9.980 -8.785 -0.005 1.00 0.00 H new ATOM 0 HA VAL A 107 -12.830 -8.557 0.045 1.00 0.00 H new ATOM 0 HB VAL A 107 -11.045 -10.057 -1.905 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -12.909 -9.734 -3.483 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -13.399 -10.694 -2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -13.869 -8.982 -2.187 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -11.157 -8.014 -3.279 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -12.039 -7.190 -1.971 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -10.358 -7.718 -1.716 1.00 0.00 H new ATOM 1642 N LEU A 108 -13.612 -10.786 0.825 1.00 0.00 N ATOM 1643 CA LEU A 108 -14.083 -12.061 1.338 1.00 0.00 C ATOM 1644 C LEU A 108 -15.088 -12.680 0.382 1.00 0.00 C ATOM 1645 O LEU A 108 -14.933 -13.825 -0.044 1.00 0.00 O ATOM 1646 CB LEU A 108 -14.714 -11.874 2.715 1.00 0.00 C ATOM 1647 CG LEU A 108 -13.801 -11.228 3.753 1.00 0.00 C ATOM 1648 CD1 LEU A 108 -14.415 -9.937 4.271 1.00 0.00 C ATOM 1649 CD2 LEU A 108 -13.529 -12.198 4.893 1.00 0.00 C ATOM 0 H LEU A 108 -14.296 -10.031 0.876 1.00 0.00 H new ATOM 0 HA LEU A 108 -13.230 -12.734 1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -15.610 -11.263 2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -15.034 -12.847 3.088 1.00 0.00 H new ATOM 0 HG LEU A 108 -12.850 -10.983 3.280 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.751 -9.489 5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.556 -9.243 3.442 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -15.379 -10.152 4.732 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.876 -11.724 5.626 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -14.470 -12.473 5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -13.045 -13.093 4.502 1.00 0.00 H new ATOM 1661 N SER A 109 -16.109 -11.915 0.037 1.00 0.00 N ATOM 1662 CA SER A 109 -17.134 -12.389 -0.874 1.00 0.00 C ATOM 1663 C SER A 109 -17.138 -11.552 -2.144 1.00 0.00 C ATOM 1664 O SER A 109 -16.890 -10.344 -2.105 1.00 0.00 O ATOM 1665 CB SER A 109 -18.510 -12.363 -0.204 1.00 0.00 C ATOM 1666 OG SER A 109 -18.561 -13.268 0.887 1.00 0.00 O ATOM 0 H SER A 109 -16.250 -10.963 0.374 1.00 0.00 H new ATOM 0 HA SER A 109 -16.909 -13.422 -1.140 1.00 0.00 H new ATOM 0 HB2 SER A 109 -18.729 -11.354 0.145 1.00 0.00 H new ATOM 0 HB3 SER A 109 -19.278 -12.622 -0.933 1.00 0.00 H new ATOM 0 HG SER A 109 -19.449 -13.233 1.300 1.00 0.00 H new ATOM 1672 N GLU A 110 -17.411 -12.203 -3.264 1.00 0.00 N ATOM 1673 CA GLU A 110 -17.433 -11.540 -4.558 1.00 0.00 C ATOM 1674 C GLU A 110 -18.684 -10.680 -4.737 1.00 0.00 C ATOM 1675 O GLU A 110 -19.380 -10.358 -3.770 1.00 0.00 O ATOM 1676 CB GLU A 110 -17.340 -12.580 -5.674 1.00 0.00 C ATOM 1677 CG GLU A 110 -18.307 -13.740 -5.511 1.00 0.00 C ATOM 1678 CD GLU A 110 -18.143 -14.774 -6.598 1.00 0.00 C ATOM 1679 OE1 GLU A 110 -17.196 -15.584 -6.514 1.00 0.00 O ATOM 1680 OE2 GLU A 110 -18.947 -14.771 -7.550 1.00 0.00 O ATOM 0 H GLU A 110 -17.622 -13.200 -3.302 1.00 0.00 H new ATOM 0 HA GLU A 110 -16.571 -10.874 -4.607 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -17.530 -12.092 -6.630 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -16.323 -12.969 -5.712 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -18.150 -14.208 -4.539 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -19.330 -13.363 -5.521 1.00 0.00 H new ATOM 1687 N ILE A 111 -18.959 -10.325 -5.985 1.00 0.00 N ATOM 1688 CA ILE A 111 -20.097 -9.484 -6.332 1.00 0.00 C ATOM 1689 C ILE A 111 -21.423 -10.106 -5.889 1.00 0.00 C ATOM 1690 O ILE A 111 -21.835 -11.156 -6.392 1.00 0.00 O ATOM 1691 CB ILE A 111 -20.140 -9.208 -7.858 1.00 0.00 C ATOM 1692 CG1 ILE A 111 -18.986 -8.290 -8.274 1.00 0.00 C ATOM 1693 CG2 ILE A 111 -21.472 -8.591 -8.269 1.00 0.00 C ATOM 1694 CD1 ILE A 111 -17.697 -9.024 -8.582 1.00 0.00 C ATOM 0 H ILE A 111 -18.398 -10.613 -6.787 1.00 0.00 H new ATOM 0 HA ILE A 111 -19.965 -8.542 -5.799 1.00 0.00 H new ATOM 0 HB ILE A 111 -20.032 -10.164 -8.370 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -19.287 -7.720 -9.153 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -18.801 -7.571 -7.476 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -21.472 -8.409 -9.344 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -22.283 -9.274 -8.016 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -21.614 -7.648 -7.741 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -16.929 -8.306 -8.868 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -17.370 -9.572 -7.698 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -17.863 -9.723 -9.401 1.00 0.00 H new ATOM 1706 N GLU A 112 -22.071 -9.461 -4.932 1.00 0.00 N ATOM 1707 CA GLU A 112 -23.355 -9.909 -4.434 1.00 0.00 C ATOM 1708 C GLU A 112 -24.440 -8.979 -4.962 1.00 0.00 C ATOM 1709 O GLU A 112 -24.404 -7.772 -4.631 1.00 0.00 O ATOM 1710 CB GLU A 112 -23.359 -9.935 -2.900 1.00 0.00 C ATOM 1711 CG GLU A 112 -24.693 -10.352 -2.299 1.00 0.00 C ATOM 1712 CD GLU A 112 -24.599 -10.673 -0.821 1.00 0.00 C ATOM 1713 OE1 GLU A 112 -24.504 -9.732 -0.002 1.00 0.00 O ATOM 1714 OE2 GLU A 112 -24.627 -11.874 -0.466 1.00 0.00 O ATOM 1715 OXT GLU A 112 -25.302 -9.446 -5.733 1.00 0.00 O ATOM 0 H GLU A 112 -21.720 -8.615 -4.482 1.00 0.00 H new ATOM 0 HA GLU A 112 -23.548 -10.924 -4.782 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -22.585 -10.621 -2.555 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -23.097 -8.945 -2.528 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -25.418 -9.552 -2.446 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -25.069 -11.225 -2.832 1.00 0.00 H new ATOM 1723 N CYS B 7 6.462 16.020 -10.875 1.00 1.33 N ATOM 1724 CA CYS B 7 6.356 16.401 -9.450 1.00 1.38 C ATOM 1725 C CYS B 7 5.814 15.238 -8.620 1.00 1.15 C ATOM 1726 O CYS B 7 4.881 15.400 -7.828 1.00 1.28 O ATOM 1727 CB CYS B 7 5.443 17.619 -9.307 1.00 1.79 C ATOM 1728 SG CYS B 7 5.809 18.951 -10.474 1.00 2.58 S ATOM 0 HA CYS B 7 7.350 16.652 -9.081 1.00 1.38 H new ATOM 0 HB2 CYS B 7 4.409 17.303 -9.444 1.00 1.79 H new ATOM 0 HB3 CYS B 7 5.526 18.006 -8.291 1.00 1.79 H new ATOM 0 HG CYS B 7 4.985 19.937 -10.279 1.00 2.58 H new ATOM 1736 N GLN B 8 6.399 14.062 -8.810 1.00 0.90 N ATOM 1737 CA GLN B 8 5.984 12.873 -8.079 1.00 0.76 C ATOM 1738 C GLN B 8 6.611 12.863 -6.687 1.00 0.65 C ATOM 1739 O GLN B 8 7.736 13.336 -6.506 1.00 0.64 O ATOM 1740 CB GLN B 8 6.389 11.614 -8.850 1.00 0.71 C ATOM 1741 CG GLN B 8 5.767 11.524 -10.234 1.00 0.89 C ATOM 1742 CD GLN B 8 4.572 10.595 -10.277 1.00 1.17 C ATOM 1743 OE1 GLN B 8 4.709 9.402 -10.545 1.00 1.79 O ATOM 1744 NE2 GLN B 8 3.390 11.129 -10.014 1.00 1.90 N ATOM 0 H GLN B 8 7.164 13.907 -9.466 1.00 0.90 H new ATOM 0 HA GLN B 8 4.899 12.887 -7.973 1.00 0.76 H new ATOM 0 HB2 GLN B 8 7.474 11.590 -8.946 1.00 0.71 H new ATOM 0 HB3 GLN B 8 6.100 10.736 -8.273 1.00 0.71 H new ATOM 0 HG2 GLN B 8 5.460 12.519 -10.556 1.00 0.89 H new ATOM 0 HG3 GLN B 8 6.518 11.177 -10.944 1.00 0.89 H new ATOM 0 HE21 GLN B 8 3.316 12.123 -9.796 1.00 1.90 H new ATOM 0 HE22 GLN B 8 2.553 10.547 -10.029 1.00 1.90 H new ATOM 1753 N PRO B 9 5.884 12.356 -5.678 1.00 0.64 N ATOM 1754 CA PRO B 9 6.388 12.288 -4.304 1.00 0.56 C ATOM 1755 C PRO B 9 7.565 11.325 -4.165 1.00 0.44 C ATOM 1756 O PRO B 9 7.698 10.368 -4.932 1.00 0.38 O ATOM 1757 CB PRO B 9 5.185 11.793 -3.496 1.00 0.61 C ATOM 1758 CG PRO B 9 4.307 11.109 -4.486 1.00 0.75 C ATOM 1759 CD PRO B 9 4.515 11.822 -5.793 1.00 0.77 C ATOM 0 HA PRO B 9 6.769 13.251 -3.965 1.00 0.56 H new ATOM 0 HB2 PRO B 9 5.495 11.109 -2.706 1.00 0.61 H new ATOM 0 HB3 PRO B 9 4.666 12.622 -3.015 1.00 0.61 H new ATOM 0 HG2 PRO B 9 4.566 10.054 -4.573 1.00 0.75 H new ATOM 0 HG3 PRO B 9 3.262 11.157 -4.178 1.00 0.75 H new ATOM 0 HD2 PRO B 9 4.419 11.143 -6.640 1.00 0.77 H new ATOM 0 HD3 PRO B 9 3.784 12.618 -5.937 1.00 0.77 H new ATOM 1767 N THR B 10 8.416 11.585 -3.185 1.00 0.43 N ATOM 1768 CA THR B 10 9.582 10.754 -2.935 1.00 0.37 C ATOM 1769 C THR B 10 9.210 9.512 -2.122 1.00 0.31 C ATOM 1770 O THR B 10 9.799 9.230 -1.076 1.00 0.39 O ATOM 1771 CB THR B 10 10.669 11.555 -2.198 1.00 0.46 C ATOM 1772 OG1 THR B 10 10.531 12.954 -2.501 1.00 0.88 O ATOM 1773 CG2 THR B 10 12.056 11.083 -2.605 1.00 0.62 C ATOM 0 H THR B 10 8.319 12.373 -2.545 1.00 0.43 H new ATOM 0 HA THR B 10 9.972 10.431 -3.900 1.00 0.37 H new ATOM 0 HB THR B 10 10.546 11.396 -1.127 1.00 0.46 H new ATOM 0 HG1 THR B 10 11.352 13.279 -2.925 1.00 0.88 H new ATOM 0 HG21 THR B 10 12.809 11.663 -2.072 1.00 0.62 H new ATOM 0 HG22 THR B 10 12.168 10.028 -2.357 1.00 0.62 H new ATOM 0 HG23 THR B 10 12.186 11.219 -3.679 1.00 0.62 H new ATOM 1781 N GLU B 11 8.233 8.775 -2.626 1.00 0.30 N ATOM 1782 CA GLU B 11 7.751 7.567 -1.985 1.00 0.31 C ATOM 1783 C GLU B 11 7.167 6.646 -3.044 1.00 0.27 C ATOM 1784 O GLU B 11 6.535 7.118 -3.990 1.00 0.31 O ATOM 1785 CB GLU B 11 6.688 7.914 -0.938 1.00 0.45 C ATOM 1786 CG GLU B 11 6.027 6.701 -0.301 1.00 1.13 C ATOM 1787 CD GLU B 11 4.516 6.761 -0.372 1.00 1.36 C ATOM 1788 OE1 GLU B 11 3.913 7.549 0.382 1.00 1.65 O ATOM 1789 OE2 GLU B 11 3.920 6.024 -1.190 1.00 1.83 O ATOM 0 H GLU B 11 7.751 9.001 -3.496 1.00 0.30 H new ATOM 0 HA GLU B 11 8.577 7.065 -1.481 1.00 0.31 H new ATOM 0 HB2 GLU B 11 7.147 8.517 -0.155 1.00 0.45 H new ATOM 0 HB3 GLU B 11 5.920 8.530 -1.406 1.00 0.45 H new ATOM 0 HG2 GLU B 11 6.375 5.797 -0.800 1.00 1.13 H new ATOM 0 HG3 GLU B 11 6.336 6.628 0.742 1.00 1.13 H new ATOM 1796 N PHE B 12 7.390 5.348 -2.907 1.00 0.30 N ATOM 1797 CA PHE B 12 6.860 4.395 -3.868 1.00 0.30 C ATOM 1798 C PHE B 12 6.473 3.085 -3.190 1.00 0.27 C ATOM 1799 O PHE B 12 7.149 2.616 -2.268 1.00 0.33 O ATOM 1800 CB PHE B 12 7.852 4.158 -5.019 1.00 0.35 C ATOM 1801 CG PHE B 12 9.099 3.398 -4.658 1.00 0.34 C ATOM 1802 CD1 PHE B 12 10.157 4.031 -4.027 1.00 0.39 C ATOM 1803 CD2 PHE B 12 9.222 2.055 -4.976 1.00 0.42 C ATOM 1804 CE1 PHE B 12 11.310 3.337 -3.715 1.00 0.42 C ATOM 1805 CE2 PHE B 12 10.373 1.357 -4.670 1.00 0.45 C ATOM 1806 CZ PHE B 12 11.419 1.998 -4.038 1.00 0.40 C ATOM 0 H PHE B 12 7.929 4.934 -2.147 1.00 0.30 H new ATOM 0 HA PHE B 12 5.954 4.824 -4.296 1.00 0.30 H new ATOM 0 HB2 PHE B 12 7.337 3.618 -5.813 1.00 0.35 H new ATOM 0 HB3 PHE B 12 8.144 5.125 -5.428 1.00 0.35 H new ATOM 0 HD1 PHE B 12 10.080 5.079 -3.776 1.00 0.39 H new ATOM 0 HD2 PHE B 12 8.407 1.548 -5.470 1.00 0.42 H new ATOM 0 HE1 PHE B 12 12.126 3.841 -3.219 1.00 0.42 H new ATOM 0 HE2 PHE B 12 10.455 0.311 -4.925 1.00 0.45 H new ATOM 0 HZ PHE B 12 12.320 1.454 -3.796 1.00 0.40 H new ATOM 1816 N ILE B 13 5.361 2.519 -3.642 1.00 0.27 N ATOM 1817 CA ILE B 13 4.850 1.271 -3.104 1.00 0.27 C ATOM 1818 C ILE B 13 5.631 0.087 -3.662 1.00 0.29 C ATOM 1819 O ILE B 13 5.596 -0.191 -4.861 1.00 0.35 O ATOM 1820 CB ILE B 13 3.347 1.105 -3.429 1.00 0.36 C ATOM 1821 CG1 ILE B 13 2.521 2.185 -2.720 1.00 0.98 C ATOM 1822 CG2 ILE B 13 2.857 -0.283 -3.044 1.00 0.85 C ATOM 1823 CD1 ILE B 13 2.708 2.214 -1.217 1.00 1.40 C ATOM 0 H ILE B 13 4.791 2.914 -4.390 1.00 0.27 H new ATOM 0 HA ILE B 13 4.973 1.299 -2.021 1.00 0.27 H new ATOM 0 HB ILE B 13 3.218 1.222 -4.505 1.00 0.36 H new ATOM 0 HG12 ILE B 13 2.789 3.160 -3.128 1.00 0.98 H new ATOM 0 HG13 ILE B 13 1.466 2.025 -2.942 1.00 0.98 H new ATOM 0 HG21 ILE B 13 1.797 -0.374 -3.283 1.00 0.85 H new ATOM 0 HG22 ILE B 13 3.420 -1.034 -3.598 1.00 0.85 H new ATOM 0 HG23 ILE B 13 3.003 -0.437 -1.975 1.00 0.85 H new ATOM 0 HD11 ILE B 13 2.091 3.004 -0.789 1.00 1.40 H new ATOM 0 HD12 ILE B 13 2.412 1.254 -0.795 1.00 1.40 H new ATOM 0 HD13 ILE B 13 3.756 2.405 -0.984 1.00 1.40 H new ATOM 1835 N SER B 14 6.339 -0.603 -2.786 1.00 0.34 N ATOM 1836 CA SER B 14 7.133 -1.749 -3.182 1.00 0.42 C ATOM 1837 C SER B 14 6.413 -3.052 -2.848 1.00 0.35 C ATOM 1838 O SER B 14 6.561 -3.589 -1.749 1.00 0.40 O ATOM 1839 CB SER B 14 8.490 -1.703 -2.480 1.00 0.54 C ATOM 1840 OG SER B 14 9.014 -0.387 -2.476 1.00 1.47 O ATOM 0 H SER B 14 6.379 -0.387 -1.790 1.00 0.34 H new ATOM 0 HA SER B 14 7.283 -1.711 -4.261 1.00 0.42 H new ATOM 0 HB2 SER B 14 8.386 -2.060 -1.455 1.00 0.54 H new ATOM 0 HB3 SER B 14 9.187 -2.374 -2.982 1.00 0.54 H new ATOM 0 HG SER B 14 9.369 -0.174 -3.364 1.00 1.47 H new ATOM 1846 N ARG B 15 5.618 -3.548 -3.788 1.00 0.31 N ATOM 1847 CA ARG B 15 4.889 -4.793 -3.589 1.00 0.31 C ATOM 1848 C ARG B 15 5.787 -5.962 -3.958 1.00 0.27 C ATOM 1849 O ARG B 15 6.076 -6.186 -5.134 1.00 0.29 O ATOM 1850 CB ARG B 15 3.614 -4.819 -4.437 1.00 0.42 C ATOM 1851 CG ARG B 15 2.680 -3.652 -4.166 1.00 0.54 C ATOM 1852 CD ARG B 15 1.604 -3.527 -5.234 1.00 0.90 C ATOM 1853 NE ARG B 15 0.447 -4.383 -4.970 1.00 1.40 N ATOM 1854 CZ ARG B 15 -0.509 -4.636 -5.867 1.00 1.85 C ATOM 1855 NH1 ARG B 15 -0.425 -4.131 -7.093 1.00 2.03 N ATOM 1856 NH2 ARG B 15 -1.547 -5.389 -5.539 1.00 2.69 N ATOM 0 H ARG B 15 5.462 -3.107 -4.695 1.00 0.31 H new ATOM 0 HA ARG B 15 4.598 -4.870 -2.541 1.00 0.31 H new ATOM 0 HB2 ARG B 15 3.889 -4.816 -5.492 1.00 0.42 H new ATOM 0 HB3 ARG B 15 3.081 -5.751 -4.249 1.00 0.42 H new ATOM 0 HG2 ARG B 15 2.210 -3.782 -3.191 1.00 0.54 H new ATOM 0 HG3 ARG B 15 3.257 -2.728 -4.122 1.00 0.54 H new ATOM 0 HD2 ARG B 15 1.277 -2.489 -5.295 1.00 0.90 H new ATOM 0 HD3 ARG B 15 2.029 -3.785 -6.204 1.00 0.90 H new ATOM 0 HE ARG B 15 0.366 -4.811 -4.048 1.00 1.40 H new ATOM 0 HH11 ARG B 15 0.371 -3.548 -7.351 1.00 2.03 H new ATOM 0 HH12 ARG B 15 -1.157 -4.326 -7.776 1.00 2.03 H new ATOM 0 HH21 ARG B 15 -1.618 -5.778 -4.599 1.00 2.69 H new ATOM 0 HH22 ARG B 15 -2.276 -5.580 -6.227 1.00 2.69 H new ATOM 1870 N HIS B 16 6.238 -6.697 -2.957 1.00 0.28 N ATOM 1871 CA HIS B 16 7.126 -7.825 -3.196 1.00 0.28 C ATOM 1872 C HIS B 16 6.782 -8.996 -2.291 1.00 0.32 C ATOM 1873 O HIS B 16 6.041 -8.843 -1.322 1.00 0.40 O ATOM 1874 CB HIS B 16 8.590 -7.410 -2.983 1.00 0.32 C ATOM 1875 CG HIS B 16 8.908 -6.926 -1.598 1.00 0.36 C ATOM 1876 ND1 HIS B 16 9.040 -7.767 -0.513 1.00 0.54 N ATOM 1877 CD2 HIS B 16 9.127 -5.677 -1.127 1.00 0.75 C ATOM 1878 CE1 HIS B 16 9.326 -7.058 0.560 1.00 0.46 C ATOM 1879 NE2 HIS B 16 9.386 -5.786 0.217 1.00 0.61 N ATOM 0 H HIS B 16 6.007 -6.536 -1.977 1.00 0.28 H new ATOM 0 HA HIS B 16 6.992 -8.141 -4.231 1.00 0.28 H new ATOM 0 HB2 HIS B 16 9.232 -8.260 -3.213 1.00 0.32 H new ATOM 0 HB3 HIS B 16 8.838 -6.622 -3.695 1.00 0.32 H new ATOM 0 HD1 HIS B 16 8.933 -8.781 -0.537 1.00 0.54 H new ATOM 0 HD2 HIS B 16 9.103 -4.763 -1.702 1.00 0.75 H new ATOM 0 HE1 HIS B 16 9.485 -7.452 1.553 1.00 0.46 H new ATOM 1888 N ASN B 17 7.340 -10.158 -2.603 1.00 0.31 N ATOM 1889 CA ASN B 17 7.102 -11.359 -1.812 1.00 0.39 C ATOM 1890 C ASN B 17 7.994 -11.366 -0.568 1.00 0.35 C ATOM 1891 O ASN B 17 8.770 -10.429 -0.351 1.00 0.32 O ATOM 1892 CB ASN B 17 7.328 -12.621 -2.662 1.00 0.49 C ATOM 1893 CG ASN B 17 8.786 -13.030 -2.784 1.00 0.95 C ATOM 1894 OD1 ASN B 17 9.689 -12.194 -2.792 1.00 2.04 O ATOM 1895 ND2 ASN B 17 9.024 -14.329 -2.863 1.00 0.59 N ATOM 0 H ASN B 17 7.962 -10.295 -3.400 1.00 0.31 H new ATOM 0 HA ASN B 17 6.063 -11.358 -1.483 1.00 0.39 H new ATOM 0 HB2 ASN B 17 6.765 -13.446 -2.226 1.00 0.49 H new ATOM 0 HB3 ASN B 17 6.924 -12.452 -3.660 1.00 0.49 H new ATOM 0 HD21 ASN B 17 9.983 -14.668 -2.934 1.00 0.59 H new ATOM 0 HD22 ASN B 17 8.248 -14.991 -2.853 1.00 0.59 H new ATOM 1902 N ILE B 18 7.894 -12.422 0.237 1.00 0.40 N ATOM 1903 CA ILE B 18 8.680 -12.540 1.470 1.00 0.45 C ATOM 1904 C ILE B 18 10.191 -12.573 1.213 1.00 0.44 C ATOM 1905 O ILE B 18 10.981 -12.266 2.104 1.00 0.52 O ATOM 1906 CB ILE B 18 8.289 -13.800 2.271 1.00 0.53 C ATOM 1907 CG1 ILE B 18 8.375 -15.049 1.387 1.00 0.59 C ATOM 1908 CG2 ILE B 18 6.889 -13.644 2.849 1.00 0.57 C ATOM 1909 CD1 ILE B 18 8.317 -16.347 2.161 1.00 0.70 C ATOM 0 H ILE B 18 7.275 -13.213 0.059 1.00 0.40 H new ATOM 0 HA ILE B 18 8.448 -11.645 2.048 1.00 0.45 H new ATOM 0 HB ILE B 18 8.992 -13.920 3.096 1.00 0.53 H new ATOM 0 HG12 ILE B 18 7.558 -15.030 0.666 1.00 0.59 H new ATOM 0 HG13 ILE B 18 9.304 -15.017 0.818 1.00 0.59 H new ATOM 0 HG21 ILE B 18 6.626 -14.540 3.412 1.00 0.57 H new ATOM 0 HG22 ILE B 18 6.863 -12.779 3.511 1.00 0.57 H new ATOM 0 HG23 ILE B 18 6.174 -13.502 2.038 1.00 0.57 H new ATOM 0 HD11 ILE B 18 8.383 -17.187 1.469 1.00 0.70 H new ATOM 0 HD12 ILE B 18 9.149 -16.389 2.864 1.00 0.70 H new ATOM 0 HD13 ILE B 18 7.376 -16.402 2.709 1.00 0.70 H new ATOM 1921 N GLU B 19 10.592 -12.936 0.002 1.00 0.41 N ATOM 1922 CA GLU B 19 12.008 -13.016 -0.340 1.00 0.45 C ATOM 1923 C GLU B 19 12.545 -11.665 -0.804 1.00 0.41 C ATOM 1924 O GLU B 19 13.753 -11.481 -0.957 1.00 0.51 O ATOM 1925 CB GLU B 19 12.226 -14.066 -1.424 1.00 0.50 C ATOM 1926 CG GLU B 19 11.653 -15.423 -1.065 1.00 0.65 C ATOM 1927 CD GLU B 19 11.874 -16.441 -2.156 1.00 1.21 C ATOM 1928 OE1 GLU B 19 11.241 -16.320 -3.222 1.00 1.92 O ATOM 1929 OE2 GLU B 19 12.690 -17.365 -1.957 1.00 1.28 O ATOM 0 H GLU B 19 9.959 -13.180 -0.760 1.00 0.41 H new ATOM 0 HA GLU B 19 12.555 -13.305 0.557 1.00 0.45 H new ATOM 0 HB2 GLU B 19 11.771 -13.721 -2.352 1.00 0.50 H new ATOM 0 HB3 GLU B 19 13.295 -14.168 -1.612 1.00 0.50 H new ATOM 0 HG2 GLU B 19 12.112 -15.777 -0.142 1.00 0.65 H new ATOM 0 HG3 GLU B 19 10.585 -15.325 -0.873 1.00 0.65 H new ATOM 1936 N GLY B 20 11.644 -10.724 -1.040 1.00 0.33 N ATOM 1937 CA GLY B 20 12.056 -9.406 -1.475 1.00 0.32 C ATOM 1938 C GLY B 20 11.944 -9.226 -2.972 1.00 0.29 C ATOM 1939 O GLY B 20 12.304 -8.173 -3.498 1.00 0.34 O ATOM 0 H GLY B 20 10.637 -10.849 -0.938 1.00 0.33 H new ATOM 0 HA2 GLY B 20 11.444 -8.655 -0.976 1.00 0.32 H new ATOM 0 HA3 GLY B 20 13.087 -9.232 -1.168 1.00 0.32 H new ATOM 1943 N ILE B 21 11.445 -10.252 -3.651 1.00 0.27 N ATOM 1944 CA ILE B 21 11.273 -10.211 -5.097 1.00 0.28 C ATOM 1945 C ILE B 21 10.086 -9.324 -5.447 1.00 0.27 C ATOM 1946 O ILE B 21 8.951 -9.615 -5.063 1.00 0.31 O ATOM 1947 CB ILE B 21 11.054 -11.626 -5.683 1.00 0.32 C ATOM 1948 CG1 ILE B 21 12.308 -12.483 -5.490 1.00 0.37 C ATOM 1949 CG2 ILE B 21 10.676 -11.555 -7.159 1.00 0.41 C ATOM 1950 CD1 ILE B 21 13.517 -11.971 -6.242 1.00 0.47 C ATOM 0 H ILE B 21 11.151 -11.128 -3.219 1.00 0.27 H new ATOM 0 HA ILE B 21 12.185 -9.802 -5.533 1.00 0.28 H new ATOM 0 HB ILE B 21 10.227 -12.092 -5.146 1.00 0.32 H new ATOM 0 HG12 ILE B 21 12.545 -12.530 -4.427 1.00 0.37 H new ATOM 0 HG13 ILE B 21 12.094 -13.502 -5.814 1.00 0.37 H new ATOM 0 HG21 ILE B 21 10.528 -12.563 -7.546 1.00 0.41 H new ATOM 0 HG22 ILE B 21 9.754 -10.984 -7.271 1.00 0.41 H new ATOM 0 HG23 ILE B 21 11.475 -11.067 -7.716 1.00 0.41 H new ATOM 0 HD11 ILE B 21 14.366 -12.629 -6.057 1.00 0.47 H new ATOM 0 HD12 ILE B 21 13.300 -11.951 -7.310 1.00 0.47 H new ATOM 0 HD13 ILE B 21 13.757 -10.964 -5.902 1.00 0.47 H new ATOM 1962 N PHE B 22 10.358 -8.234 -6.150 1.00 0.25 N ATOM 1963 CA PHE B 22 9.317 -7.290 -6.537 1.00 0.27 C ATOM 1964 C PHE B 22 8.321 -7.916 -7.503 1.00 0.28 C ATOM 1965 O PHE B 22 8.686 -8.365 -8.591 1.00 0.35 O ATOM 1966 CB PHE B 22 9.932 -6.045 -7.172 1.00 0.31 C ATOM 1967 CG PHE B 22 10.570 -5.113 -6.183 1.00 0.33 C ATOM 1968 CD1 PHE B 22 11.847 -5.355 -5.702 1.00 0.38 C ATOM 1969 CD2 PHE B 22 9.892 -3.991 -5.737 1.00 0.36 C ATOM 1970 CE1 PHE B 22 12.435 -4.494 -4.797 1.00 0.45 C ATOM 1971 CE2 PHE B 22 10.475 -3.128 -4.832 1.00 0.44 C ATOM 1972 CZ PHE B 22 11.748 -3.379 -4.360 1.00 0.46 C ATOM 0 H PHE B 22 11.294 -7.980 -6.465 1.00 0.25 H new ATOM 0 HA PHE B 22 8.782 -7.009 -5.630 1.00 0.27 H new ATOM 0 HB2 PHE B 22 10.680 -6.353 -7.902 1.00 0.31 H new ATOM 0 HB3 PHE B 22 9.157 -5.506 -7.717 1.00 0.31 H new ATOM 0 HD1 PHE B 22 12.388 -6.227 -6.039 1.00 0.38 H new ATOM 0 HD2 PHE B 22 8.896 -3.789 -6.102 1.00 0.36 H new ATOM 0 HE1 PHE B 22 13.432 -4.693 -4.431 1.00 0.45 H new ATOM 0 HE2 PHE B 22 9.936 -2.256 -4.493 1.00 0.44 H new ATOM 0 HZ PHE B 22 12.205 -2.705 -3.651 1.00 0.46 H new ATOM 1982 N THR B 23 7.067 -7.944 -7.087 1.00 0.27 N ATOM 1983 CA THR B 23 5.996 -8.487 -7.897 1.00 0.30 C ATOM 1984 C THR B 23 5.314 -7.361 -8.669 1.00 0.27 C ATOM 1985 O THR B 23 4.827 -7.553 -9.788 1.00 0.33 O ATOM 1986 CB THR B 23 4.965 -9.208 -7.014 1.00 0.42 C ATOM 1987 OG1 THR B 23 5.588 -9.621 -5.789 1.00 1.35 O ATOM 1988 CG2 THR B 23 4.391 -10.420 -7.731 1.00 1.14 C ATOM 0 H THR B 23 6.765 -7.591 -6.179 1.00 0.27 H new ATOM 0 HA THR B 23 6.419 -9.206 -8.599 1.00 0.30 H new ATOM 0 HB THR B 23 4.149 -8.518 -6.798 1.00 0.42 H new ATOM 0 HG1 THR B 23 4.930 -10.079 -5.226 1.00 1.35 H new ATOM 0 HG21 THR B 23 3.664 -10.914 -7.086 1.00 1.14 H new ATOM 0 HG22 THR B 23 3.902 -10.100 -8.651 1.00 1.14 H new ATOM 0 HG23 THR B 23 5.195 -11.116 -7.970 1.00 1.14 H new ATOM 1996 N PHE B 24 5.294 -6.185 -8.052 1.00 0.25 N ATOM 1997 CA PHE B 24 4.703 -4.995 -8.643 1.00 0.28 C ATOM 1998 C PHE B 24 5.387 -3.761 -8.073 1.00 0.26 C ATOM 1999 O PHE B 24 5.443 -3.578 -6.855 1.00 0.27 O ATOM 2000 CB PHE B 24 3.197 -4.937 -8.370 1.00 0.36 C ATOM 2001 CG PHE B 24 2.498 -3.813 -9.085 1.00 0.46 C ATOM 2002 CD1 PHE B 24 2.121 -3.945 -10.412 1.00 0.59 C ATOM 2003 CD2 PHE B 24 2.218 -2.626 -8.428 1.00 0.51 C ATOM 2004 CE1 PHE B 24 1.478 -2.913 -11.068 1.00 0.71 C ATOM 2005 CE2 PHE B 24 1.575 -1.592 -9.078 1.00 0.61 C ATOM 2006 CZ PHE B 24 1.206 -1.735 -10.401 1.00 0.70 C ATOM 0 H PHE B 24 5.689 -6.032 -7.124 1.00 0.25 H new ATOM 0 HA PHE B 24 4.846 -5.029 -9.723 1.00 0.28 H new ATOM 0 HB2 PHE B 24 2.745 -5.883 -8.669 1.00 0.36 H new ATOM 0 HB3 PHE B 24 3.034 -4.831 -7.297 1.00 0.36 H new ATOM 0 HD1 PHE B 24 2.332 -4.864 -10.939 1.00 0.59 H new ATOM 0 HD2 PHE B 24 2.507 -2.508 -7.394 1.00 0.51 H new ATOM 0 HE1 PHE B 24 1.188 -3.028 -12.102 1.00 0.71 H new ATOM 0 HE2 PHE B 24 1.361 -0.673 -8.553 1.00 0.61 H new ATOM 0 HZ PHE B 24 0.705 -0.927 -10.913 1.00 0.70 H new ATOM 2016 N VAL B 25 5.913 -2.927 -8.951 1.00 0.26 N ATOM 2017 CA VAL B 25 6.604 -1.718 -8.534 1.00 0.27 C ATOM 2018 C VAL B 25 5.741 -0.490 -8.798 1.00 0.26 C ATOM 2019 O VAL B 25 4.832 -0.520 -9.631 1.00 0.25 O ATOM 2020 CB VAL B 25 7.962 -1.571 -9.263 1.00 0.34 C ATOM 2021 CG1 VAL B 25 8.852 -0.548 -8.570 1.00 0.74 C ATOM 2022 CG2 VAL B 25 8.670 -2.915 -9.351 1.00 0.78 C ATOM 0 H VAL B 25 5.875 -3.064 -9.961 1.00 0.26 H new ATOM 0 HA VAL B 25 6.793 -1.797 -7.463 1.00 0.27 H new ATOM 0 HB VAL B 25 7.761 -1.214 -10.273 1.00 0.34 H new ATOM 0 HG11 VAL B 25 9.798 -0.467 -9.105 1.00 0.74 H new ATOM 0 HG12 VAL B 25 8.355 0.422 -8.564 1.00 0.74 H new ATOM 0 HG13 VAL B 25 9.041 -0.866 -7.545 1.00 0.74 H new ATOM 0 HG21 VAL B 25 9.622 -2.791 -9.867 1.00 0.78 H new ATOM 0 HG22 VAL B 25 8.848 -3.299 -8.346 1.00 0.78 H new ATOM 0 HG23 VAL B 25 8.047 -3.619 -9.903 1.00 0.78 H new ATOM 2032 N ASP B 26 6.021 0.580 -8.072 1.00 0.27 N ATOM 2033 CA ASP B 26 5.286 1.826 -8.215 1.00 0.29 C ATOM 2034 C ASP B 26 5.743 2.573 -9.461 1.00 0.24 C ATOM 2035 O ASP B 26 6.656 2.141 -10.159 1.00 0.22 O ATOM 2036 CB ASP B 26 5.508 2.702 -6.980 1.00 0.39 C ATOM 2037 CG ASP B 26 4.350 3.636 -6.692 1.00 0.48 C ATOM 2038 OD1 ASP B 26 4.112 4.570 -7.485 1.00 0.78 O ATOM 2039 OD2 ASP B 26 3.687 3.445 -5.656 1.00 0.72 O ATOM 0 H ASP B 26 6.761 0.610 -7.370 1.00 0.27 H new ATOM 0 HA ASP B 26 4.225 1.596 -8.312 1.00 0.29 H new ATOM 0 HB2 ASP B 26 5.673 2.061 -6.114 1.00 0.39 H new ATOM 0 HB3 ASP B 26 6.415 3.291 -7.119 1.00 0.39 H new ATOM 2044 N HIS B 27 5.111 3.699 -9.727 1.00 0.26 N ATOM 2045 CA HIS B 27 5.456 4.517 -10.877 1.00 0.26 C ATOM 2046 C HIS B 27 6.036 5.844 -10.409 1.00 0.23 C ATOM 2047 O HIS B 27 6.498 6.653 -11.210 1.00 0.26 O ATOM 2048 CB HIS B 27 4.240 4.740 -11.795 1.00 0.34 C ATOM 2049 CG HIS B 27 2.971 5.137 -11.090 1.00 0.50 C ATOM 2050 ND1 HIS B 27 2.418 6.394 -11.187 1.00 0.70 N ATOM 2051 CD2 HIS B 27 2.123 4.417 -10.317 1.00 0.66 C ATOM 2052 CE1 HIS B 27 1.289 6.428 -10.503 1.00 0.86 C ATOM 2053 NE2 HIS B 27 1.083 5.242 -9.965 1.00 0.83 N ATOM 0 H HIS B 27 4.350 4.072 -9.159 1.00 0.26 H new ATOM 0 HA HIS B 27 6.208 3.989 -11.463 1.00 0.26 H new ATOM 0 HB2 HIS B 27 4.490 5.513 -12.522 1.00 0.34 H new ATOM 0 HB3 HIS B 27 4.054 3.824 -12.355 1.00 0.34 H new ATOM 0 HD2 HIS B 27 2.243 3.383 -10.030 1.00 0.66 H new ATOM 0 HE1 HIS B 27 0.641 7.286 -10.401 1.00 0.86 H new ATOM 0 HE2 HIS B 27 0.286 4.981 -9.385 1.00 0.83 H new ATOM 2062 N ARG B 28 6.017 6.052 -9.098 1.00 0.24 N ATOM 2063 CA ARG B 28 6.547 7.273 -8.506 1.00 0.27 C ATOM 2064 C ARG B 28 8.001 7.072 -8.088 1.00 0.24 C ATOM 2065 O ARG B 28 8.680 8.017 -7.680 1.00 0.28 O ATOM 2066 CB ARG B 28 5.705 7.682 -7.296 1.00 0.35 C ATOM 2067 CG ARG B 28 4.244 7.937 -7.631 1.00 0.48 C ATOM 2068 CD ARG B 28 3.377 7.946 -6.381 1.00 0.56 C ATOM 2069 NE ARG B 28 3.405 6.659 -5.685 1.00 0.99 N ATOM 2070 CZ ARG B 28 3.466 6.530 -4.360 1.00 1.26 C ATOM 2071 NH1 ARG B 28 3.474 7.602 -3.581 1.00 1.61 N ATOM 2072 NH2 ARG B 28 3.509 5.328 -3.814 1.00 1.87 N ATOM 0 H ARG B 28 5.639 5.388 -8.423 1.00 0.24 H new ATOM 0 HA ARG B 28 6.503 8.068 -9.251 1.00 0.27 H new ATOM 0 HB2 ARG B 28 5.765 6.899 -6.540 1.00 0.35 H new ATOM 0 HB3 ARG B 28 6.131 8.583 -6.855 1.00 0.35 H new ATOM 0 HG2 ARG B 28 4.150 8.893 -8.147 1.00 0.48 H new ATOM 0 HG3 ARG B 28 3.888 7.168 -8.316 1.00 0.48 H new ATOM 0 HD2 ARG B 28 3.721 8.730 -5.707 1.00 0.56 H new ATOM 0 HD3 ARG B 28 2.350 8.188 -6.654 1.00 0.56 H new ATOM 0 HE ARG B 28 3.376 5.809 -6.248 1.00 0.99 H new ATOM 0 HH11 ARG B 28 3.433 8.533 -3.995 1.00 1.61 H new ATOM 0 HH12 ARG B 28 3.521 7.496 -2.568 1.00 1.61 H new ATOM 0 HH21 ARG B 28 3.496 4.498 -4.407 1.00 1.87 H new ATOM 0 HH22 ARG B 28 3.556 5.230 -2.800 1.00 1.87 H new ATOM 2086 N CYS B 29 8.481 5.836 -8.232 1.00 0.21 N ATOM 2087 CA CYS B 29 9.850 5.477 -7.867 1.00 0.22 C ATOM 2088 C CYS B 29 10.870 6.277 -8.673 1.00 0.22 C ATOM 2089 O CYS B 29 12.019 6.444 -8.250 1.00 0.25 O ATOM 2090 CB CYS B 29 10.074 3.982 -8.093 1.00 0.27 C ATOM 2091 SG CYS B 29 9.711 3.437 -9.775 1.00 1.34 S ATOM 0 H CYS B 29 7.934 5.059 -8.603 1.00 0.21 H new ATOM 0 HA CYS B 29 9.989 5.714 -6.812 1.00 0.22 H new ATOM 0 HB2 CYS B 29 11.111 3.740 -7.858 1.00 0.27 H new ATOM 0 HB3 CYS B 29 9.450 3.421 -7.397 1.00 0.27 H new ATOM 0 HG CYS B 29 10.823 3.282 -10.431 1.00 1.34 H new ATOM 2097 N VAL B 30 10.435 6.780 -9.825 1.00 0.24 N ATOM 2098 CA VAL B 30 11.289 7.569 -10.703 1.00 0.31 C ATOM 2099 C VAL B 30 11.772 8.832 -9.992 1.00 0.33 C ATOM 2100 O VAL B 30 12.870 9.324 -10.251 1.00 0.38 O ATOM 2101 CB VAL B 30 10.547 7.960 -12.001 1.00 0.39 C ATOM 2102 CG1 VAL B 30 11.523 8.479 -13.047 1.00 1.01 C ATOM 2103 CG2 VAL B 30 9.753 6.780 -12.543 1.00 0.92 C ATOM 0 H VAL B 30 9.485 6.652 -10.174 1.00 0.24 H new ATOM 0 HA VAL B 30 12.149 6.952 -10.964 1.00 0.31 H new ATOM 0 HB VAL B 30 9.847 8.762 -11.764 1.00 0.39 H new ATOM 0 HG11 VAL B 30 10.978 8.748 -13.952 1.00 1.01 H new ATOM 0 HG12 VAL B 30 12.039 9.358 -12.659 1.00 1.01 H new ATOM 0 HG13 VAL B 30 12.253 7.704 -13.280 1.00 1.01 H new ATOM 0 HG21 VAL B 30 9.238 7.077 -13.457 1.00 0.92 H new ATOM 0 HG22 VAL B 30 10.431 5.954 -12.760 1.00 0.92 H new ATOM 0 HG23 VAL B 30 9.021 6.463 -11.801 1.00 0.92 H new ATOM 2113 N ALA B 31 10.955 9.342 -9.078 1.00 0.34 N ATOM 2114 CA ALA B 31 11.306 10.543 -8.331 1.00 0.40 C ATOM 2115 C ALA B 31 11.916 10.189 -6.978 1.00 0.39 C ATOM 2116 O ALA B 31 12.493 11.039 -6.302 1.00 0.45 O ATOM 2117 CB ALA B 31 10.085 11.431 -8.146 1.00 0.46 C ATOM 0 H ALA B 31 10.047 8.944 -8.837 1.00 0.34 H new ATOM 0 HA ALA B 31 12.053 11.091 -8.906 1.00 0.40 H new ATOM 0 HB1 ALA B 31 10.365 12.323 -7.586 1.00 0.46 H new ATOM 0 HB2 ALA B 31 9.696 11.722 -9.122 1.00 0.46 H new ATOM 0 HB3 ALA B 31 9.318 10.885 -7.597 1.00 0.46 H new ATOM 2123 N THR B 32 11.791 8.929 -6.586 1.00 0.36 N ATOM 2124 CA THR B 32 12.329 8.474 -5.313 1.00 0.38 C ATOM 2125 C THR B 32 13.803 8.095 -5.438 1.00 0.42 C ATOM 2126 O THR B 32 14.671 8.728 -4.832 1.00 0.48 O ATOM 2127 CB THR B 32 11.542 7.264 -4.781 1.00 0.37 C ATOM 2128 OG1 THR B 32 10.162 7.382 -5.151 1.00 0.36 O ATOM 2129 CG2 THR B 32 11.664 7.159 -3.267 1.00 0.44 C ATOM 0 H THR B 32 11.322 8.205 -7.131 1.00 0.36 H new ATOM 0 HA THR B 32 12.233 9.303 -4.612 1.00 0.38 H new ATOM 0 HB THR B 32 11.961 6.360 -5.222 1.00 0.37 H new ATOM 0 HG1 THR B 32 9.604 6.943 -4.476 1.00 0.36 H new ATOM 0 HG21 THR B 32 11.099 6.296 -2.915 1.00 0.44 H new ATOM 0 HG22 THR B 32 12.713 7.042 -2.994 1.00 0.44 H new ATOM 0 HG23 THR B 32 11.268 8.064 -2.806 1.00 0.44 H new ATOM 2137 N VAL B 33 14.081 7.064 -6.229 1.00 0.42 N ATOM 2138 CA VAL B 33 15.449 6.598 -6.422 1.00 0.52 C ATOM 2139 C VAL B 33 15.854 6.648 -7.890 1.00 0.57 C ATOM 2140 O VAL B 33 17.018 6.438 -8.230 1.00 0.99 O ATOM 2141 CB VAL B 33 15.645 5.158 -5.897 1.00 0.56 C ATOM 2142 CG1 VAL B 33 15.801 5.155 -4.386 1.00 0.67 C ATOM 2143 CG2 VAL B 33 14.488 4.262 -6.317 1.00 0.51 C ATOM 0 H VAL B 33 13.378 6.536 -6.746 1.00 0.42 H new ATOM 0 HA VAL B 33 16.085 7.273 -5.849 1.00 0.52 H new ATOM 0 HB VAL B 33 16.559 4.760 -6.339 1.00 0.56 H new ATOM 0 HG11 VAL B 33 15.938 4.132 -4.036 1.00 0.67 H new ATOM 0 HG12 VAL B 33 16.670 5.752 -4.109 1.00 0.67 H new ATOM 0 HG13 VAL B 33 14.908 5.579 -3.927 1.00 0.67 H new ATOM 0 HG21 VAL B 33 14.651 3.254 -5.935 1.00 0.51 H new ATOM 0 HG22 VAL B 33 13.556 4.657 -5.913 1.00 0.51 H new ATOM 0 HG23 VAL B 33 14.427 4.232 -7.405 1.00 0.51 H new ATOM 2153 N GLY B 34 14.885 6.902 -8.760 1.00 0.36 N ATOM 2154 CA GLY B 34 15.168 6.974 -10.180 1.00 0.38 C ATOM 2155 C GLY B 34 15.047 5.629 -10.864 1.00 0.33 C ATOM 2156 O GLY B 34 14.893 5.557 -12.084 1.00 0.38 O ATOM 0 H GLY B 34 13.909 7.059 -8.508 1.00 0.36 H new ATOM 0 HA2 GLY B 34 14.482 7.679 -10.649 1.00 0.38 H new ATOM 0 HA3 GLY B 34 16.175 7.364 -10.327 1.00 0.38 H new ATOM 2160 N TYR B 35 15.114 4.564 -10.077 1.00 0.32 N ATOM 2161 CA TYR B 35 15.016 3.210 -10.600 1.00 0.31 C ATOM 2162 C TYR B 35 13.652 2.963 -11.228 1.00 0.29 C ATOM 2163 O TYR B 35 12.616 3.293 -10.644 1.00 0.35 O ATOM 2164 CB TYR B 35 15.266 2.193 -9.488 1.00 0.33 C ATOM 2165 CG TYR B 35 16.695 1.715 -9.421 1.00 0.30 C ATOM 2166 CD1 TYR B 35 17.258 1.017 -10.479 1.00 0.39 C ATOM 2167 CD2 TYR B 35 17.479 1.957 -8.302 1.00 0.30 C ATOM 2168 CE1 TYR B 35 18.564 0.575 -10.427 1.00 0.39 C ATOM 2169 CE2 TYR B 35 18.787 1.517 -8.242 1.00 0.30 C ATOM 2170 CZ TYR B 35 19.324 0.828 -9.307 1.00 0.30 C ATOM 2171 OH TYR B 35 20.628 0.392 -9.256 1.00 0.34 O ATOM 0 H TYR B 35 15.237 4.614 -9.066 1.00 0.32 H new ATOM 0 HA TYR B 35 15.777 3.093 -11.372 1.00 0.31 H new ATOM 0 HB2 TYR B 35 14.995 2.639 -8.531 1.00 0.33 H new ATOM 0 HB3 TYR B 35 14.611 1.335 -9.637 1.00 0.33 H new ATOM 0 HD1 TYR B 35 16.664 0.816 -11.358 1.00 0.39 H new ATOM 0 HD2 TYR B 35 17.060 2.497 -7.466 1.00 0.30 H new ATOM 0 HE1 TYR B 35 18.988 0.034 -11.260 1.00 0.39 H new ATOM 0 HE2 TYR B 35 19.386 1.712 -7.365 1.00 0.30 H new ATOM 0 HH TYR B 35 20.648 -0.549 -8.983 1.00 0.34 H new ATOM 2181 N GLN B 36 13.663 2.404 -12.426 1.00 0.30 N ATOM 2182 CA GLN B 36 12.434 2.099 -13.139 1.00 0.31 C ATOM 2183 C GLN B 36 11.838 0.796 -12.609 1.00 0.30 C ATOM 2184 O GLN B 36 12.566 -0.058 -12.106 1.00 0.35 O ATOM 2185 CB GLN B 36 12.707 1.990 -14.642 1.00 0.40 C ATOM 2186 CG GLN B 36 13.368 3.226 -15.234 1.00 0.42 C ATOM 2187 CD GLN B 36 12.514 4.475 -15.107 1.00 0.81 C ATOM 2188 OE1 GLN B 36 11.662 4.748 -15.954 1.00 1.63 O ATOM 2189 NE2 GLN B 36 12.746 5.252 -14.059 1.00 1.29 N ATOM 0 H GLN B 36 14.514 2.151 -12.928 1.00 0.30 H new ATOM 0 HA GLN B 36 11.719 2.905 -12.977 1.00 0.31 H new ATOM 0 HB2 GLN B 36 13.344 1.125 -14.825 1.00 0.40 H new ATOM 0 HB3 GLN B 36 11.766 1.808 -15.161 1.00 0.40 H new ATOM 0 HG2 GLN B 36 14.323 3.394 -14.736 1.00 0.42 H new ATOM 0 HG3 GLN B 36 13.584 3.046 -16.287 1.00 0.42 H new ATOM 0 HE21 GLN B 36 13.460 4.991 -13.379 1.00 1.29 H new ATOM 0 HE22 GLN B 36 12.210 6.111 -13.932 1.00 1.29 H new ATOM 2198 N PRO B 37 10.508 0.630 -12.710 1.00 0.33 N ATOM 2199 CA PRO B 37 9.815 -0.575 -12.229 1.00 0.35 C ATOM 2200 C PRO B 37 10.439 -1.875 -12.741 1.00 0.31 C ATOM 2201 O PRO B 37 10.624 -2.829 -11.985 1.00 0.30 O ATOM 2202 CB PRO B 37 8.400 -0.409 -12.786 1.00 0.43 C ATOM 2203 CG PRO B 37 8.218 1.063 -12.911 1.00 0.49 C ATOM 2204 CD PRO B 37 9.566 1.612 -13.286 1.00 0.40 C ATOM 0 HA PRO B 37 9.864 -0.658 -11.143 1.00 0.35 H new ATOM 0 HB2 PRO B 37 8.293 -0.905 -13.750 1.00 0.43 H new ATOM 0 HB3 PRO B 37 7.657 -0.845 -12.118 1.00 0.43 H new ATOM 0 HG2 PRO B 37 7.473 1.302 -13.670 1.00 0.49 H new ATOM 0 HG3 PRO B 37 7.867 1.495 -11.974 1.00 0.49 H new ATOM 0 HD2 PRO B 37 9.681 1.692 -14.367 1.00 0.40 H new ATOM 0 HD3 PRO B 37 9.723 2.609 -12.874 1.00 0.40 H new ATOM 2212 N GLN B 38 10.795 -1.891 -14.020 1.00 0.33 N ATOM 2213 CA GLN B 38 11.383 -3.075 -14.644 1.00 0.35 C ATOM 2214 C GLN B 38 12.745 -3.412 -14.043 1.00 0.34 C ATOM 2215 O GLN B 38 13.194 -4.553 -14.115 1.00 0.33 O ATOM 2216 CB GLN B 38 11.535 -2.873 -16.152 1.00 0.46 C ATOM 2217 CG GLN B 38 10.230 -2.580 -16.874 1.00 0.57 C ATOM 2218 CD GLN B 38 9.982 -1.095 -17.053 1.00 1.14 C ATOM 2219 OE1 GLN B 38 10.352 -0.282 -16.205 1.00 2.03 O ATOM 2220 NE2 GLN B 38 9.365 -0.731 -18.162 1.00 1.34 N ATOM 0 H GLN B 38 10.687 -1.095 -14.649 1.00 0.33 H new ATOM 0 HA GLN B 38 10.704 -3.906 -14.453 1.00 0.35 H new ATOM 0 HB2 GLN B 38 12.228 -2.051 -16.329 1.00 0.46 H new ATOM 0 HB3 GLN B 38 11.984 -3.767 -16.584 1.00 0.46 H new ATOM 0 HG2 GLN B 38 10.244 -3.062 -17.851 1.00 0.57 H new ATOM 0 HG3 GLN B 38 9.403 -3.018 -16.314 1.00 0.57 H new ATOM 0 HE21 GLN B 38 9.075 -1.436 -18.839 1.00 1.34 H new ATOM 0 HE22 GLN B 38 9.179 0.256 -18.342 1.00 1.34 H new ATOM 2229 N GLU B 39 13.393 -2.420 -13.441 1.00 0.39 N ATOM 2230 CA GLU B 39 14.706 -2.619 -12.838 1.00 0.44 C ATOM 2231 C GLU B 39 14.586 -3.311 -11.483 1.00 0.44 C ATOM 2232 O GLU B 39 15.566 -3.839 -10.953 1.00 0.53 O ATOM 2233 CB GLU B 39 15.432 -1.280 -12.685 1.00 0.55 C ATOM 2234 CG GLU B 39 15.529 -0.484 -13.978 1.00 0.59 C ATOM 2235 CD GLU B 39 16.495 0.678 -13.877 1.00 1.16 C ATOM 2236 OE1 GLU B 39 17.707 0.462 -14.090 1.00 1.59 O ATOM 2237 OE2 GLU B 39 16.052 1.809 -13.590 1.00 1.69 O ATOM 0 H GLU B 39 13.030 -1.470 -13.358 1.00 0.39 H new ATOM 0 HA GLU B 39 15.287 -3.261 -13.500 1.00 0.44 H new ATOM 0 HB2 GLU B 39 14.914 -0.679 -11.937 1.00 0.55 H new ATOM 0 HB3 GLU B 39 16.437 -1.463 -12.306 1.00 0.55 H new ATOM 0 HG2 GLU B 39 15.846 -1.146 -14.784 1.00 0.59 H new ATOM 0 HG3 GLU B 39 14.541 -0.108 -14.244 1.00 0.59 H new ATOM 2244 N LEU B 40 13.381 -3.306 -10.928 1.00 0.41 N ATOM 2245 CA LEU B 40 13.134 -3.936 -9.636 1.00 0.44 C ATOM 2246 C LEU B 40 12.423 -5.274 -9.812 1.00 0.40 C ATOM 2247 O LEU B 40 12.526 -6.157 -8.961 1.00 0.45 O ATOM 2248 CB LEU B 40 12.297 -3.020 -8.732 1.00 0.50 C ATOM 2249 CG LEU B 40 13.068 -1.913 -8.005 1.00 0.53 C ATOM 2250 CD1 LEU B 40 14.351 -2.456 -7.399 1.00 1.10 C ATOM 2251 CD2 LEU B 40 13.366 -0.759 -8.947 1.00 1.24 C ATOM 0 H LEU B 40 12.560 -2.873 -11.351 1.00 0.41 H new ATOM 0 HA LEU B 40 14.100 -4.110 -9.163 1.00 0.44 H new ATOM 0 HB2 LEU B 40 11.518 -2.556 -9.338 1.00 0.50 H new ATOM 0 HB3 LEU B 40 11.796 -3.637 -7.986 1.00 0.50 H new ATOM 0 HG LEU B 40 12.442 -1.540 -7.195 1.00 0.53 H new ATOM 0 HD11 LEU B 40 14.881 -1.652 -6.888 1.00 1.10 H new ATOM 0 HD12 LEU B 40 14.111 -3.244 -6.685 1.00 1.10 H new ATOM 0 HD13 LEU B 40 14.983 -2.863 -8.189 1.00 1.10 H new ATOM 0 HD21 LEU B 40 13.914 0.016 -8.411 1.00 1.24 H new ATOM 0 HD22 LEU B 40 13.968 -1.117 -9.782 1.00 1.24 H new ATOM 0 HD23 LEU B 40 12.430 -0.347 -9.325 1.00 1.24 H new ATOM 2263 N LEU B 41 11.706 -5.417 -10.920 1.00 0.34 N ATOM 2264 CA LEU B 41 10.969 -6.642 -11.207 1.00 0.34 C ATOM 2265 C LEU B 41 11.898 -7.848 -11.270 1.00 0.38 C ATOM 2266 O LEU B 41 12.870 -7.861 -12.028 1.00 0.43 O ATOM 2267 CB LEU B 41 10.205 -6.508 -12.525 1.00 0.29 C ATOM 2268 CG LEU B 41 8.998 -5.570 -12.480 1.00 0.28 C ATOM 2269 CD1 LEU B 41 8.327 -5.502 -13.842 1.00 0.30 C ATOM 2270 CD2 LEU B 41 8.008 -6.025 -11.419 1.00 0.30 C ATOM 0 H LEU B 41 11.619 -4.697 -11.637 1.00 0.34 H new ATOM 0 HA LEU B 41 10.260 -6.799 -10.394 1.00 0.34 H new ATOM 0 HB2 LEU B 41 10.893 -6.153 -13.292 1.00 0.29 H new ATOM 0 HB3 LEU B 41 9.866 -7.497 -12.833 1.00 0.29 H new ATOM 0 HG LEU B 41 9.347 -4.571 -12.218 1.00 0.28 H new ATOM 0 HD11 LEU B 41 7.470 -4.830 -13.792 1.00 0.30 H new ATOM 0 HD12 LEU B 41 9.038 -5.129 -14.580 1.00 0.30 H new ATOM 0 HD13 LEU B 41 7.991 -6.498 -14.132 1.00 0.30 H new ATOM 0 HD21 LEU B 41 7.156 -5.346 -11.401 1.00 0.30 H new ATOM 0 HD22 LEU B 41 7.664 -7.033 -11.651 1.00 0.30 H new ATOM 0 HD23 LEU B 41 8.494 -6.023 -10.443 1.00 0.30 H new ATOM 2282 N GLY B 42 11.597 -8.852 -10.453 1.00 0.43 N ATOM 2283 CA GLY B 42 12.401 -10.061 -10.421 1.00 0.51 C ATOM 2284 C GLY B 42 13.696 -9.889 -9.650 1.00 0.49 C ATOM 2285 O GLY B 42 14.553 -10.774 -9.657 1.00 0.53 O ATOM 0 H GLY B 42 10.806 -8.850 -9.809 1.00 0.43 H new ATOM 0 HA2 GLY B 42 11.820 -10.866 -9.970 1.00 0.51 H new ATOM 0 HA3 GLY B 42 12.630 -10.366 -11.442 1.00 0.51 H new ATOM 2289 N LYS B 43 13.842 -8.752 -8.987 1.00 0.46 N ATOM 2290 CA LYS B 43 15.037 -8.470 -8.211 1.00 0.47 C ATOM 2291 C LYS B 43 14.716 -8.440 -6.726 1.00 0.40 C ATOM 2292 O LYS B 43 13.564 -8.242 -6.334 1.00 0.50 O ATOM 2293 CB LYS B 43 15.653 -7.135 -8.644 1.00 0.57 C ATOM 2294 CG LYS B 43 16.335 -7.181 -10.006 1.00 0.73 C ATOM 2295 CD LYS B 43 17.695 -7.859 -9.932 1.00 0.81 C ATOM 2296 CE LYS B 43 17.573 -9.376 -9.921 1.00 1.70 C ATOM 2297 NZ LYS B 43 18.651 -10.012 -9.119 1.00 2.45 N ATOM 0 H LYS B 43 13.144 -8.008 -8.972 1.00 0.46 H new ATOM 0 HA LYS B 43 15.759 -9.266 -8.394 1.00 0.47 H new ATOM 0 HB2 LYS B 43 14.871 -6.376 -8.666 1.00 0.57 H new ATOM 0 HB3 LYS B 43 16.380 -6.822 -7.895 1.00 0.57 H new ATOM 0 HG2 LYS B 43 15.700 -7.715 -10.713 1.00 0.73 H new ATOM 0 HG3 LYS B 43 16.454 -6.167 -10.388 1.00 0.73 H new ATOM 0 HD2 LYS B 43 18.302 -7.550 -10.783 1.00 0.81 H new ATOM 0 HD3 LYS B 43 18.216 -7.530 -9.033 1.00 0.81 H new ATOM 0 HE2 LYS B 43 16.602 -9.659 -9.514 1.00 1.70 H new ATOM 0 HE3 LYS B 43 17.612 -9.751 -10.944 1.00 1.70 H new ATOM 0 HZ1 LYS B 43 18.795 -10.989 -9.444 1.00 2.45 H new ATOM 0 HZ2 LYS B 43 19.534 -9.475 -9.236 1.00 2.45 H new ATOM 0 HZ3 LYS B 43 18.380 -10.017 -8.115 1.00 2.45 H new ATOM 2311 N ASN B 44 15.735 -8.648 -5.907 1.00 0.32 N ATOM 2312 CA ASN B 44 15.563 -8.638 -4.466 1.00 0.29 C ATOM 2313 C ASN B 44 15.808 -7.237 -3.926 1.00 0.28 C ATOM 2314 O ASN B 44 16.818 -6.611 -4.246 1.00 0.30 O ATOM 2315 CB ASN B 44 16.527 -9.620 -3.788 1.00 0.30 C ATOM 2316 CG ASN B 44 16.245 -11.072 -4.129 1.00 0.91 C ATOM 2317 OD1 ASN B 44 16.769 -11.607 -5.107 1.00 1.92 O ATOM 2318 ND2 ASN B 44 15.427 -11.730 -3.320 1.00 0.70 N ATOM 0 H ASN B 44 16.690 -8.826 -6.218 1.00 0.32 H new ATOM 0 HA ASN B 44 14.541 -8.946 -4.245 1.00 0.29 H new ATOM 0 HB2 ASN B 44 17.548 -9.377 -4.082 1.00 0.30 H new ATOM 0 HB3 ASN B 44 16.467 -9.490 -2.708 1.00 0.30 H new ATOM 0 HD21 ASN B 44 15.214 -12.711 -3.498 1.00 0.70 H new ATOM 0 HD22 ASN B 44 15.011 -11.255 -2.519 1.00 0.70 H new ATOM 2325 N ILE B 45 14.883 -6.749 -3.109 1.00 0.25 N ATOM 2326 CA ILE B 45 15.002 -5.420 -2.511 1.00 0.25 C ATOM 2327 C ILE B 45 16.277 -5.309 -1.663 1.00 0.24 C ATOM 2328 O ILE B 45 16.818 -4.224 -1.469 1.00 0.31 O ATOM 2329 CB ILE B 45 13.759 -5.088 -1.646 1.00 0.25 C ATOM 2330 CG1 ILE B 45 13.867 -3.681 -1.046 1.00 0.27 C ATOM 2331 CG2 ILE B 45 13.570 -6.130 -0.551 1.00 0.24 C ATOM 2332 CD1 ILE B 45 12.622 -3.233 -0.311 1.00 0.28 C ATOM 0 H ILE B 45 14.038 -7.254 -2.843 1.00 0.25 H new ATOM 0 HA ILE B 45 15.063 -4.698 -3.325 1.00 0.25 H new ATOM 0 HB ILE B 45 12.882 -5.111 -2.293 1.00 0.25 H new ATOM 0 HG12 ILE B 45 14.713 -3.653 -0.359 1.00 0.27 H new ATOM 0 HG13 ILE B 45 14.081 -2.971 -1.845 1.00 0.27 H new ATOM 0 HG21 ILE B 45 12.692 -5.878 0.044 1.00 0.24 H new ATOM 0 HG22 ILE B 45 13.432 -7.112 -1.003 1.00 0.24 H new ATOM 0 HG23 ILE B 45 14.451 -6.147 0.091 1.00 0.24 H new ATOM 0 HD11 ILE B 45 12.775 -2.229 0.085 1.00 0.28 H new ATOM 0 HD12 ILE B 45 11.776 -3.227 -0.998 1.00 0.28 H new ATOM 0 HD13 ILE B 45 12.417 -3.920 0.510 1.00 0.28 H new ATOM 2344 N VAL B 46 16.771 -6.451 -1.195 1.00 0.21 N ATOM 2345 CA VAL B 46 17.971 -6.487 -0.368 1.00 0.23 C ATOM 2346 C VAL B 46 19.236 -6.245 -1.204 1.00 0.23 C ATOM 2347 O VAL B 46 20.275 -5.857 -0.670 1.00 0.29 O ATOM 2348 CB VAL B 46 18.080 -7.832 0.392 1.00 0.26 C ATOM 2349 CG1 VAL B 46 18.481 -8.965 -0.544 1.00 1.08 C ATOM 2350 CG2 VAL B 46 19.052 -7.720 1.557 1.00 1.15 C ATOM 0 H VAL B 46 16.357 -7.366 -1.375 1.00 0.21 H new ATOM 0 HA VAL B 46 17.888 -5.681 0.361 1.00 0.23 H new ATOM 0 HB VAL B 46 17.095 -8.067 0.794 1.00 0.26 H new ATOM 0 HG11 VAL B 46 18.549 -9.896 0.019 1.00 1.08 H new ATOM 0 HG12 VAL B 46 17.733 -9.070 -1.329 1.00 1.08 H new ATOM 0 HG13 VAL B 46 19.449 -8.741 -0.993 1.00 1.08 H new ATOM 0 HG21 VAL B 46 19.111 -8.677 2.075 1.00 1.15 H new ATOM 0 HG22 VAL B 46 20.039 -7.448 1.183 1.00 1.15 H new ATOM 0 HG23 VAL B 46 18.703 -6.954 2.249 1.00 1.15 H new ATOM 2360 N GLU B 47 19.136 -6.445 -2.517 1.00 0.23 N ATOM 2361 CA GLU B 47 20.276 -6.247 -3.408 1.00 0.27 C ATOM 2362 C GLU B 47 20.622 -4.769 -3.518 1.00 0.25 C ATOM 2363 O GLU B 47 21.784 -4.380 -3.423 1.00 0.35 O ATOM 2364 CB GLU B 47 19.973 -6.794 -4.802 1.00 0.34 C ATOM 2365 CG GLU B 47 19.807 -8.300 -4.856 1.00 0.42 C ATOM 2366 CD GLU B 47 19.584 -8.790 -6.270 1.00 1.07 C ATOM 2367 OE1 GLU B 47 20.579 -8.968 -7.006 1.00 1.06 O ATOM 2368 OE2 GLU B 47 18.416 -8.982 -6.663 1.00 1.96 O ATOM 0 H GLU B 47 18.280 -6.743 -2.985 1.00 0.23 H new ATOM 0 HA GLU B 47 21.124 -6.786 -2.985 1.00 0.27 H new ATOM 0 HB2 GLU B 47 19.062 -6.326 -5.174 1.00 0.34 H new ATOM 0 HB3 GLU B 47 20.778 -6.504 -5.477 1.00 0.34 H new ATOM 0 HG2 GLU B 47 20.694 -8.779 -4.441 1.00 0.42 H new ATOM 0 HG3 GLU B 47 18.964 -8.595 -4.232 1.00 0.42 H new ATOM 2375 N PHE B 48 19.596 -3.948 -3.703 1.00 0.22 N ATOM 2376 CA PHE B 48 19.774 -2.508 -3.843 1.00 0.26 C ATOM 2377 C PHE B 48 19.686 -1.821 -2.487 1.00 0.26 C ATOM 2378 O PHE B 48 19.378 -0.632 -2.392 1.00 0.33 O ATOM 2379 CB PHE B 48 18.720 -1.940 -4.794 1.00 0.32 C ATOM 2380 CG PHE B 48 18.689 -2.628 -6.129 1.00 0.35 C ATOM 2381 CD1 PHE B 48 19.551 -2.242 -7.142 1.00 0.40 C ATOM 2382 CD2 PHE B 48 17.800 -3.664 -6.368 1.00 0.39 C ATOM 2383 CE1 PHE B 48 19.526 -2.875 -8.370 1.00 0.45 C ATOM 2384 CE2 PHE B 48 17.770 -4.300 -7.593 1.00 0.45 C ATOM 2385 CZ PHE B 48 18.634 -3.906 -8.596 1.00 0.46 C ATOM 0 H PHE B 48 18.626 -4.257 -3.760 1.00 0.22 H new ATOM 0 HA PHE B 48 20.764 -2.320 -4.258 1.00 0.26 H new ATOM 0 HB2 PHE B 48 17.738 -2.023 -4.328 1.00 0.32 H new ATOM 0 HB3 PHE B 48 18.912 -0.878 -4.945 1.00 0.32 H new ATOM 0 HD1 PHE B 48 20.251 -1.437 -6.970 1.00 0.40 H new ATOM 0 HD2 PHE B 48 17.123 -3.977 -5.587 1.00 0.39 H new ATOM 0 HE1 PHE B 48 20.203 -2.564 -9.152 1.00 0.45 H new ATOM 0 HE2 PHE B 48 17.071 -5.105 -7.767 1.00 0.45 H new ATOM 0 HZ PHE B 48 18.613 -4.403 -9.555 1.00 0.46 H new ATOM 2395 N CYS B 49 19.964 -2.579 -1.444 1.00 0.23 N ATOM 2396 CA CYS B 49 19.923 -2.066 -0.091 1.00 0.28 C ATOM 2397 C CYS B 49 21.336 -1.948 0.459 1.00 0.30 C ATOM 2398 O CYS B 49 22.222 -2.714 0.079 1.00 0.38 O ATOM 2399 CB CYS B 49 19.081 -2.988 0.800 1.00 0.31 C ATOM 2400 SG CYS B 49 19.152 -2.599 2.564 1.00 1.17 S ATOM 0 H CYS B 49 20.223 -3.563 -1.511 1.00 0.23 H new ATOM 0 HA CYS B 49 19.463 -1.078 -0.100 1.00 0.28 H new ATOM 0 HB2 CYS B 49 18.043 -2.940 0.472 1.00 0.31 H new ATOM 0 HB3 CYS B 49 19.414 -4.016 0.654 1.00 0.31 H new ATOM 0 HG CYS B 49 18.349 -1.610 2.823 1.00 1.17 H new ATOM 2406 N HIS B 50 21.538 -0.966 1.329 1.00 0.32 N ATOM 2407 CA HIS B 50 22.830 -0.734 1.963 1.00 0.38 C ATOM 2408 C HIS B 50 23.293 -2.014 2.652 1.00 0.32 C ATOM 2409 O HIS B 50 22.590 -2.532 3.512 1.00 0.31 O ATOM 2410 CB HIS B 50 22.689 0.398 2.984 1.00 0.54 C ATOM 2411 CG HIS B 50 23.972 1.049 3.399 1.00 0.41 C ATOM 2412 ND1 HIS B 50 24.217 1.440 4.694 1.00 1.06 N ATOM 2413 CD2 HIS B 50 25.058 1.421 2.684 1.00 1.18 C ATOM 2414 CE1 HIS B 50 25.395 2.030 4.759 1.00 0.87 C ATOM 2415 NE2 HIS B 50 25.929 2.030 3.552 1.00 1.08 N ATOM 0 H HIS B 50 20.812 -0.309 1.615 1.00 0.32 H new ATOM 0 HA HIS B 50 23.569 -0.451 1.214 1.00 0.38 H new ATOM 0 HB2 HIS B 50 22.032 1.161 2.567 1.00 0.54 H new ATOM 0 HB3 HIS B 50 22.196 0.004 3.873 1.00 0.54 H new ATOM 0 HD1 HIS B 50 23.586 1.296 5.482 1.00 1.06 H new ATOM 0 HD2 HIS B 50 25.211 1.267 1.626 1.00 1.18 H new ATOM 0 HE1 HIS B 50 25.846 2.443 5.649 1.00 0.87 H new ATOM 2424 N PRO B 51 24.464 -2.548 2.266 1.00 0.35 N ATOM 2425 CA PRO B 51 25.013 -3.788 2.838 1.00 0.38 C ATOM 2426 C PRO B 51 24.964 -3.823 4.363 1.00 0.36 C ATOM 2427 O PRO B 51 24.540 -4.816 4.953 1.00 0.46 O ATOM 2428 CB PRO B 51 26.457 -3.787 2.345 1.00 0.47 C ATOM 2429 CG PRO B 51 26.400 -3.056 1.050 1.00 0.72 C ATOM 2430 CD PRO B 51 25.345 -1.998 1.218 1.00 0.44 C ATOM 0 HA PRO B 51 24.437 -4.661 2.532 1.00 0.38 H new ATOM 0 HB2 PRO B 51 27.120 -3.290 3.054 1.00 0.47 H new ATOM 0 HB3 PRO B 51 26.834 -4.801 2.214 1.00 0.47 H new ATOM 0 HG2 PRO B 51 27.365 -2.610 0.811 1.00 0.72 H new ATOM 0 HG3 PRO B 51 26.149 -3.731 0.232 1.00 0.72 H new ATOM 0 HD2 PRO B 51 25.778 -1.044 1.519 1.00 0.44 H new ATOM 0 HD3 PRO B 51 24.802 -1.823 0.289 1.00 0.44 H new ATOM 2438 N GLU B 52 25.371 -2.731 4.994 1.00 0.37 N ATOM 2439 CA GLU B 52 25.380 -2.637 6.452 1.00 0.38 C ATOM 2440 C GLU B 52 23.965 -2.645 7.039 1.00 0.37 C ATOM 2441 O GLU B 52 23.790 -2.759 8.251 1.00 0.40 O ATOM 2442 CB GLU B 52 26.120 -1.371 6.890 1.00 0.45 C ATOM 2443 CG GLU B 52 27.551 -1.304 6.382 1.00 0.78 C ATOM 2444 CD GLU B 52 27.691 -0.484 5.115 1.00 1.36 C ATOM 2445 OE1 GLU B 52 27.005 -0.788 4.117 1.00 2.04 O ATOM 2446 OE2 GLU B 52 28.494 0.472 5.112 1.00 1.70 O ATOM 0 H GLU B 52 25.702 -1.892 4.518 1.00 0.37 H new ATOM 0 HA GLU B 52 25.898 -3.517 6.833 1.00 0.38 H new ATOM 0 HB2 GLU B 52 25.574 -0.498 6.533 1.00 0.45 H new ATOM 0 HB3 GLU B 52 26.126 -1.320 7.979 1.00 0.45 H new ATOM 0 HG2 GLU B 52 28.186 -0.876 7.157 1.00 0.78 H new ATOM 0 HG3 GLU B 52 27.912 -2.315 6.196 1.00 0.78 H new ATOM 2453 N ASP B 53 22.957 -2.533 6.184 1.00 0.36 N ATOM 2454 CA ASP B 53 21.569 -2.527 6.636 1.00 0.37 C ATOM 2455 C ASP B 53 20.772 -3.624 5.937 1.00 0.38 C ATOM 2456 O ASP B 53 19.547 -3.684 6.048 1.00 0.42 O ATOM 2457 CB ASP B 53 20.918 -1.164 6.366 1.00 0.47 C ATOM 2458 CG ASP B 53 21.661 -0.015 7.019 1.00 0.48 C ATOM 2459 OD1 ASP B 53 21.648 0.087 8.263 1.00 1.09 O ATOM 2460 OD2 ASP B 53 22.268 0.796 6.288 1.00 1.10 O ATOM 0 H ASP B 53 23.073 -2.445 5.174 1.00 0.36 H new ATOM 0 HA ASP B 53 21.564 -2.715 7.710 1.00 0.37 H new ATOM 0 HB2 ASP B 53 20.872 -0.996 5.290 1.00 0.47 H new ATOM 0 HB3 ASP B 53 19.891 -1.179 6.730 1.00 0.47 H new ATOM 2465 N GLN B 54 21.479 -4.503 5.231 1.00 0.41 N ATOM 2466 CA GLN B 54 20.839 -5.594 4.504 1.00 0.47 C ATOM 2467 C GLN B 54 20.174 -6.575 5.460 1.00 0.50 C ATOM 2468 O GLN B 54 19.018 -6.957 5.266 1.00 0.53 O ATOM 2469 CB GLN B 54 21.855 -6.319 3.620 1.00 0.56 C ATOM 2470 CG GLN B 54 22.014 -5.683 2.248 1.00 0.65 C ATOM 2471 CD GLN B 54 23.111 -6.325 1.421 1.00 0.69 C ATOM 2472 OE1 GLN B 54 24.127 -6.780 1.952 1.00 1.10 O ATOM 2473 NE2 GLN B 54 22.910 -6.372 0.113 1.00 0.80 N ATOM 0 H GLN B 54 22.495 -4.480 5.147 1.00 0.41 H new ATOM 0 HA GLN B 54 20.066 -5.164 3.868 1.00 0.47 H new ATOM 0 HB2 GLN B 54 22.822 -6.330 4.123 1.00 0.56 H new ATOM 0 HB3 GLN B 54 21.546 -7.357 3.499 1.00 0.56 H new ATOM 0 HG2 GLN B 54 21.070 -5.756 1.708 1.00 0.65 H new ATOM 0 HG3 GLN B 54 22.231 -4.622 2.369 1.00 0.65 H new ATOM 0 HE21 GLN B 54 22.055 -5.984 -0.286 1.00 0.80 H new ATOM 0 HE22 GLN B 54 23.610 -6.796 -0.496 1.00 0.80 H new ATOM 2482 N GLN B 55 20.894 -6.968 6.506 1.00 0.54 N ATOM 2483 CA GLN B 55 20.347 -7.894 7.487 1.00 0.61 C ATOM 2484 C GLN B 55 19.231 -7.205 8.263 1.00 0.52 C ATOM 2485 O GLN B 55 18.255 -7.838 8.660 1.00 0.52 O ATOM 2486 CB GLN B 55 21.442 -8.406 8.432 1.00 0.76 C ATOM 2487 CG GLN B 55 20.957 -9.425 9.461 1.00 1.33 C ATOM 2488 CD GLN B 55 20.121 -10.551 8.861 1.00 1.73 C ATOM 2489 OE1 GLN B 55 20.293 -10.931 7.700 1.00 2.72 O ATOM 2490 NE2 GLN B 55 19.212 -11.092 9.657 1.00 1.51 N ATOM 0 H GLN B 55 21.849 -6.662 6.694 1.00 0.54 H new ATOM 0 HA GLN B 55 19.937 -8.761 6.969 1.00 0.61 H new ATOM 0 HB2 GLN B 55 22.237 -8.857 7.838 1.00 0.76 H new ATOM 0 HB3 GLN B 55 21.879 -7.557 8.957 1.00 0.76 H new ATOM 0 HG2 GLN B 55 21.821 -9.856 9.968 1.00 1.33 H new ATOM 0 HG3 GLN B 55 20.367 -8.910 10.219 1.00 1.33 H new ATOM 0 HE21 GLN B 55 19.101 -10.749 10.611 1.00 1.51 H new ATOM 0 HE22 GLN B 55 18.623 -11.852 9.316 1.00 1.51 H new ATOM 2499 N LEU B 56 19.378 -5.896 8.455 1.00 0.51 N ATOM 2500 CA LEU B 56 18.369 -5.102 9.147 1.00 0.51 C ATOM 2501 C LEU B 56 17.042 -5.185 8.393 1.00 0.42 C ATOM 2502 O LEU B 56 15.980 -5.381 8.991 1.00 0.42 O ATOM 2503 CB LEU B 56 18.833 -3.645 9.260 1.00 0.60 C ATOM 2504 CG LEU B 56 17.726 -2.616 9.505 1.00 0.63 C ATOM 2505 CD1 LEU B 56 17.192 -2.723 10.922 1.00 1.29 C ATOM 2506 CD2 LEU B 56 18.241 -1.212 9.238 1.00 1.42 C ATOM 0 H LEU B 56 20.189 -5.363 8.140 1.00 0.51 H new ATOM 0 HA LEU B 56 18.227 -5.498 10.153 1.00 0.51 H new ATOM 0 HB2 LEU B 56 19.556 -3.575 10.072 1.00 0.60 H new ATOM 0 HB3 LEU B 56 19.357 -3.377 8.343 1.00 0.60 H new ATOM 0 HG LEU B 56 16.908 -2.825 8.816 1.00 0.63 H new ATOM 0 HD11 LEU B 56 16.407 -1.982 11.072 1.00 1.29 H new ATOM 0 HD12 LEU B 56 16.785 -3.721 11.083 1.00 1.29 H new ATOM 0 HD13 LEU B 56 18.001 -2.543 11.630 1.00 1.29 H new ATOM 0 HD21 LEU B 56 17.443 -0.492 9.416 1.00 1.42 H new ATOM 0 HD22 LEU B 56 19.078 -0.999 9.903 1.00 1.42 H new ATOM 0 HD23 LEU B 56 18.573 -1.137 8.202 1.00 1.42 H new ATOM 2518 N LEU B 57 17.118 -5.047 7.074 1.00 0.40 N ATOM 2519 CA LEU B 57 15.939 -5.123 6.227 1.00 0.39 C ATOM 2520 C LEU B 57 15.337 -6.518 6.291 1.00 0.37 C ATOM 2521 O LEU B 57 14.141 -6.679 6.536 1.00 0.39 O ATOM 2522 CB LEU B 57 16.297 -4.792 4.779 1.00 0.48 C ATOM 2523 CG LEU B 57 15.609 -3.556 4.199 1.00 0.60 C ATOM 2524 CD1 LEU B 57 15.687 -3.574 2.682 1.00 1.01 C ATOM 2525 CD2 LEU B 57 14.160 -3.473 4.659 1.00 1.15 C ATOM 0 H LEU B 57 17.989 -4.881 6.569 1.00 0.40 H new ATOM 0 HA LEU B 57 15.211 -4.397 6.589 1.00 0.39 H new ATOM 0 HB2 LEU B 57 17.376 -4.651 4.712 1.00 0.48 H new ATOM 0 HB3 LEU B 57 16.049 -5.651 4.156 1.00 0.48 H new ATOM 0 HG LEU B 57 16.129 -2.671 4.565 1.00 0.60 H new ATOM 0 HD11 LEU B 57 15.193 -2.688 2.282 1.00 1.01 H new ATOM 0 HD12 LEU B 57 16.732 -3.579 2.371 1.00 1.01 H new ATOM 0 HD13 LEU B 57 15.192 -4.468 2.303 1.00 1.01 H new ATOM 0 HD21 LEU B 57 13.693 -2.585 4.233 1.00 1.15 H new ATOM 0 HD22 LEU B 57 13.622 -4.361 4.327 1.00 1.15 H new ATOM 0 HD23 LEU B 57 14.126 -3.414 5.747 1.00 1.15 H new ATOM 2537 N ARG B 58 16.187 -7.520 6.086 1.00 0.42 N ATOM 2538 CA ARG B 58 15.767 -8.917 6.108 1.00 0.50 C ATOM 2539 C ARG B 58 15.089 -9.270 7.431 1.00 0.44 C ATOM 2540 O ARG B 58 14.033 -9.905 7.449 1.00 0.44 O ATOM 2541 CB ARG B 58 16.973 -9.830 5.871 1.00 0.65 C ATOM 2542 CG ARG B 58 16.651 -11.314 5.953 1.00 1.08 C ATOM 2543 CD ARG B 58 17.899 -12.157 5.754 1.00 1.12 C ATOM 2544 NE ARG B 58 17.666 -13.569 6.046 1.00 1.90 N ATOM 2545 CZ ARG B 58 18.509 -14.333 6.747 1.00 2.21 C ATOM 2546 NH1 ARG B 58 19.620 -13.814 7.263 1.00 1.97 N ATOM 2547 NH2 ARG B 58 18.236 -15.615 6.943 1.00 3.01 N ATOM 0 H ARG B 58 17.181 -7.387 5.901 1.00 0.42 H new ATOM 0 HA ARG B 58 15.041 -9.067 5.309 1.00 0.50 H new ATOM 0 HB2 ARG B 58 17.392 -9.613 4.888 1.00 0.65 H new ATOM 0 HB3 ARG B 58 17.744 -9.595 6.605 1.00 0.65 H new ATOM 0 HG2 ARG B 58 16.207 -11.540 6.922 1.00 1.08 H new ATOM 0 HG3 ARG B 58 15.910 -11.571 5.196 1.00 1.08 H new ATOM 0 HD2 ARG B 58 18.245 -12.053 4.726 1.00 1.12 H new ATOM 0 HD3 ARG B 58 18.695 -11.782 6.397 1.00 1.12 H new ATOM 0 HE ARG B 58 16.810 -13.997 5.694 1.00 1.90 H new ATOM 0 HH11 ARG B 58 19.833 -12.826 7.125 1.00 1.97 H new ATOM 0 HH12 ARG B 58 20.258 -14.404 7.797 1.00 1.97 H new ATOM 0 HH21 ARG B 58 17.382 -16.019 6.559 1.00 3.01 H new ATOM 0 HH22 ARG B 58 18.880 -16.198 7.478 1.00 3.01 H new ATOM 2561 N ASP B 59 15.695 -8.844 8.534 1.00 0.42 N ATOM 2562 CA ASP B 59 15.152 -9.112 9.861 1.00 0.43 C ATOM 2563 C ASP B 59 13.788 -8.452 10.024 1.00 0.37 C ATOM 2564 O ASP B 59 12.866 -9.038 10.593 1.00 0.39 O ATOM 2565 CB ASP B 59 16.108 -8.614 10.947 1.00 0.49 C ATOM 2566 CG ASP B 59 15.665 -9.031 12.334 1.00 0.58 C ATOM 2567 OD1 ASP B 59 15.878 -10.204 12.703 1.00 0.76 O ATOM 2568 OD2 ASP B 59 15.089 -8.196 13.059 1.00 0.78 O ATOM 0 H ASP B 59 16.564 -8.311 8.535 1.00 0.42 H new ATOM 0 HA ASP B 59 15.035 -10.190 9.968 1.00 0.43 H new ATOM 0 HB2 ASP B 59 17.108 -9.003 10.755 1.00 0.49 H new ATOM 0 HB3 ASP B 59 16.174 -7.527 10.900 1.00 0.49 H new ATOM 2573 N SER B 60 13.661 -7.235 9.506 1.00 0.33 N ATOM 2574 CA SER B 60 12.408 -6.497 9.583 1.00 0.33 C ATOM 2575 C SER B 60 11.321 -7.178 8.752 1.00 0.28 C ATOM 2576 O SER B 60 10.142 -7.142 9.111 1.00 0.29 O ATOM 2577 CB SER B 60 12.614 -5.054 9.123 1.00 0.39 C ATOM 2578 OG SER B 60 13.575 -4.402 9.939 1.00 1.41 O ATOM 0 H SER B 60 14.413 -6.739 9.028 1.00 0.33 H new ATOM 0 HA SER B 60 12.079 -6.487 10.622 1.00 0.33 H new ATOM 0 HB2 SER B 60 12.943 -5.041 8.084 1.00 0.39 H new ATOM 0 HB3 SER B 60 11.668 -4.515 9.165 1.00 0.39 H new ATOM 0 HG SER B 60 14.476 -4.677 9.667 1.00 1.41 H new ATOM 2584 N PHE B 61 11.719 -7.806 7.649 1.00 0.30 N ATOM 2585 CA PHE B 61 10.772 -8.511 6.793 1.00 0.32 C ATOM 2586 C PHE B 61 10.153 -9.669 7.559 1.00 0.33 C ATOM 2587 O PHE B 61 8.953 -9.905 7.482 1.00 0.34 O ATOM 2588 CB PHE B 61 11.452 -9.024 5.522 1.00 0.39 C ATOM 2589 CG PHE B 61 11.792 -7.937 4.544 1.00 0.43 C ATOM 2590 CD1 PHE B 61 10.918 -6.883 4.326 1.00 0.62 C ATOM 2591 CD2 PHE B 61 12.988 -7.966 3.850 1.00 0.59 C ATOM 2592 CE1 PHE B 61 11.231 -5.881 3.430 1.00 0.70 C ATOM 2593 CE2 PHE B 61 13.306 -6.966 2.953 1.00 0.65 C ATOM 2594 CZ PHE B 61 12.427 -5.922 2.744 1.00 0.60 C ATOM 0 H PHE B 61 12.687 -7.841 7.329 1.00 0.30 H new ATOM 0 HA PHE B 61 9.990 -7.812 6.497 1.00 0.32 H new ATOM 0 HB2 PHE B 61 12.364 -9.554 5.796 1.00 0.39 H new ATOM 0 HB3 PHE B 61 10.797 -9.747 5.036 1.00 0.39 H new ATOM 0 HD1 PHE B 61 9.982 -6.846 4.863 1.00 0.62 H new ATOM 0 HD2 PHE B 61 13.680 -8.779 4.011 1.00 0.59 H new ATOM 0 HE1 PHE B 61 10.541 -5.066 3.266 1.00 0.70 H new ATOM 0 HE2 PHE B 61 14.242 -7.000 2.415 1.00 0.65 H new ATOM 0 HZ PHE B 61 12.676 -5.138 2.044 1.00 0.60 H new ATOM 2604 N GLN B 62 10.984 -10.378 8.312 1.00 0.35 N ATOM 2605 CA GLN B 62 10.513 -11.496 9.114 1.00 0.41 C ATOM 2606 C GLN B 62 9.579 -10.983 10.202 1.00 0.37 C ATOM 2607 O GLN B 62 8.574 -11.616 10.526 1.00 0.40 O ATOM 2608 CB GLN B 62 11.693 -12.241 9.744 1.00 0.52 C ATOM 2609 CG GLN B 62 12.650 -12.849 8.730 1.00 0.79 C ATOM 2610 CD GLN B 62 12.040 -14.012 7.966 1.00 1.44 C ATOM 2611 OE1 GLN B 62 12.358 -14.236 6.799 1.00 2.08 O ATOM 2612 NE2 GLN B 62 11.164 -14.764 8.617 1.00 2.12 N ATOM 0 H GLN B 62 11.985 -10.198 8.383 1.00 0.35 H new ATOM 0 HA GLN B 62 9.973 -12.190 8.470 1.00 0.41 H new ATOM 0 HB2 GLN B 62 12.246 -11.552 10.383 1.00 0.52 H new ATOM 0 HB3 GLN B 62 11.309 -13.033 10.387 1.00 0.52 H new ATOM 0 HG2 GLN B 62 12.960 -12.079 8.023 1.00 0.79 H new ATOM 0 HG3 GLN B 62 13.548 -13.190 9.245 1.00 0.79 H new ATOM 0 HE21 GLN B 62 10.925 -14.547 9.585 1.00 2.12 H new ATOM 0 HE22 GLN B 62 10.729 -15.560 8.150 1.00 2.12 H new ATOM 2621 N GLN B 63 9.909 -9.812 10.743 1.00 0.34 N ATOM 2622 CA GLN B 63 9.111 -9.192 11.795 1.00 0.36 C ATOM 2623 C GLN B 63 7.703 -8.863 11.307 1.00 0.29 C ATOM 2624 O GLN B 63 6.723 -9.199 11.967 1.00 0.32 O ATOM 2625 CB GLN B 63 9.774 -7.907 12.300 1.00 0.44 C ATOM 2626 CG GLN B 63 11.095 -8.115 13.021 1.00 0.66 C ATOM 2627 CD GLN B 63 11.648 -6.816 13.580 1.00 0.76 C ATOM 2628 OE1 GLN B 63 10.893 -5.919 13.959 1.00 1.33 O ATOM 2629 NE2 GLN B 63 12.964 -6.692 13.625 1.00 1.23 N ATOM 0 H GLN B 63 10.729 -9.272 10.467 1.00 0.34 H new ATOM 0 HA GLN B 63 9.045 -9.913 12.610 1.00 0.36 H new ATOM 0 HB2 GLN B 63 9.939 -7.242 11.452 1.00 0.44 H new ATOM 0 HB3 GLN B 63 9.084 -7.399 12.974 1.00 0.44 H new ATOM 0 HG2 GLN B 63 10.957 -8.829 13.833 1.00 0.66 H new ATOM 0 HG3 GLN B 63 11.819 -8.551 12.333 1.00 0.66 H new ATOM 0 HE21 GLN B 63 13.559 -7.455 13.303 1.00 1.23 H new ATOM 0 HE22 GLN B 63 13.383 -5.833 13.982 1.00 1.23 H new ATOM 2638 N VAL B 64 7.606 -8.220 10.143 1.00 0.26 N ATOM 2639 CA VAL B 64 6.308 -7.829 9.592 1.00 0.26 C ATOM 2640 C VAL B 64 5.426 -9.047 9.303 1.00 0.26 C ATOM 2641 O VAL B 64 4.199 -8.969 9.414 1.00 0.28 O ATOM 2642 CB VAL B 64 6.455 -6.948 8.323 1.00 0.28 C ATOM 2643 CG1 VAL B 64 6.762 -7.777 7.084 1.00 0.31 C ATOM 2644 CG2 VAL B 64 5.204 -6.111 8.110 1.00 0.30 C ATOM 0 H VAL B 64 8.406 -7.960 9.566 1.00 0.26 H new ATOM 0 HA VAL B 64 5.815 -7.228 10.357 1.00 0.26 H new ATOM 0 HB VAL B 64 7.303 -6.283 8.485 1.00 0.28 H new ATOM 0 HG11 VAL B 64 6.856 -7.119 6.220 1.00 0.31 H new ATOM 0 HG12 VAL B 64 7.696 -8.319 7.231 1.00 0.31 H new ATOM 0 HG13 VAL B 64 5.954 -8.488 6.912 1.00 0.31 H new ATOM 0 HG21 VAL B 64 5.324 -5.499 7.216 1.00 0.30 H new ATOM 0 HG22 VAL B 64 4.343 -6.768 7.987 1.00 0.30 H new ATOM 0 HG23 VAL B 64 5.047 -5.465 8.974 1.00 0.30 H new ATOM 2654 N VAL B 65 6.044 -10.171 8.955 1.00 0.29 N ATOM 2655 CA VAL B 65 5.299 -11.393 8.677 1.00 0.33 C ATOM 2656 C VAL B 65 4.724 -11.954 9.977 1.00 0.37 C ATOM 2657 O VAL B 65 3.648 -12.552 9.994 1.00 0.45 O ATOM 2658 CB VAL B 65 6.186 -12.458 7.986 1.00 0.40 C ATOM 2659 CG1 VAL B 65 5.416 -13.751 7.758 1.00 0.48 C ATOM 2660 CG2 VAL B 65 6.722 -11.927 6.665 1.00 0.39 C ATOM 0 H VAL B 65 7.056 -10.261 8.859 1.00 0.29 H new ATOM 0 HA VAL B 65 4.487 -11.144 7.994 1.00 0.33 H new ATOM 0 HB VAL B 65 7.025 -12.674 8.647 1.00 0.40 H new ATOM 0 HG11 VAL B 65 6.064 -14.480 7.271 1.00 0.48 H new ATOM 0 HG12 VAL B 65 5.079 -14.148 8.716 1.00 0.48 H new ATOM 0 HG13 VAL B 65 4.552 -13.553 7.123 1.00 0.48 H new ATOM 0 HG21 VAL B 65 7.343 -12.688 6.192 1.00 0.39 H new ATOM 0 HG22 VAL B 65 5.889 -11.679 6.008 1.00 0.39 H new ATOM 0 HG23 VAL B 65 7.319 -11.033 6.847 1.00 0.39 H new ATOM 2670 N LYS B 66 5.444 -11.732 11.068 1.00 0.37 N ATOM 2671 CA LYS B 66 5.012 -12.195 12.380 1.00 0.45 C ATOM 2672 C LYS B 66 3.934 -11.270 12.941 1.00 0.41 C ATOM 2673 O LYS B 66 3.080 -11.693 13.722 1.00 0.49 O ATOM 2674 CB LYS B 66 6.205 -12.264 13.335 1.00 0.57 C ATOM 2675 CG LYS B 66 7.240 -13.304 12.935 1.00 0.74 C ATOM 2676 CD LYS B 66 8.556 -13.111 13.673 1.00 0.67 C ATOM 2677 CE LYS B 66 8.379 -13.232 15.177 1.00 1.44 C ATOM 2678 NZ LYS B 66 9.683 -13.239 15.892 1.00 2.19 N ATOM 0 H LYS B 66 6.333 -11.232 11.070 1.00 0.37 H new ATOM 0 HA LYS B 66 4.590 -13.195 12.276 1.00 0.45 H new ATOM 0 HB2 LYS B 66 6.683 -11.285 13.379 1.00 0.57 H new ATOM 0 HB3 LYS B 66 5.845 -12.488 14.339 1.00 0.57 H new ATOM 0 HG2 LYS B 66 6.851 -14.301 13.142 1.00 0.74 H new ATOM 0 HG3 LYS B 66 7.415 -13.247 11.861 1.00 0.74 H new ATOM 0 HD2 LYS B 66 9.278 -13.853 13.331 1.00 0.67 H new ATOM 0 HD3 LYS B 66 8.968 -12.131 13.433 1.00 0.67 H new ATOM 0 HE2 LYS B 66 7.772 -12.402 15.539 1.00 1.44 H new ATOM 0 HE3 LYS B 66 7.835 -14.149 15.406 1.00 1.44 H new ATOM 0 HZ1 LYS B 66 9.517 -13.323 16.915 1.00 2.19 H new ATOM 0 HZ2 LYS B 66 10.253 -14.045 15.566 1.00 2.19 H new ATOM 0 HZ3 LYS B 66 10.192 -12.353 15.695 1.00 2.19 H new ATOM 2692 N LEU B 67 3.981 -10.009 12.525 1.00 0.39 N ATOM 2693 CA LEU B 67 3.012 -9.014 12.970 1.00 0.43 C ATOM 2694 C LEU B 67 1.639 -9.319 12.386 1.00 0.62 C ATOM 2695 O LEU B 67 0.627 -9.200 13.075 1.00 1.30 O ATOM 2696 CB LEU B 67 3.456 -7.608 12.560 1.00 0.59 C ATOM 2697 CG LEU B 67 4.785 -7.142 13.154 1.00 0.54 C ATOM 2698 CD1 LEU B 67 5.124 -5.742 12.668 1.00 0.74 C ATOM 2699 CD2 LEU B 67 4.735 -7.190 14.672 1.00 0.79 C ATOM 0 H LEU B 67 4.683 -9.651 11.878 1.00 0.39 H new ATOM 0 HA LEU B 67 2.952 -9.055 14.058 1.00 0.43 H new ATOM 0 HB2 LEU B 67 3.530 -7.571 11.473 1.00 0.59 H new ATOM 0 HB3 LEU B 67 2.679 -6.901 12.851 1.00 0.59 H new ATOM 0 HG LEU B 67 5.571 -7.818 12.818 1.00 0.54 H new ATOM 0 HD11 LEU B 67 6.073 -5.426 13.101 1.00 0.74 H new ATOM 0 HD12 LEU B 67 5.204 -5.744 11.581 1.00 0.74 H new ATOM 0 HD13 LEU B 67 4.338 -5.051 12.973 1.00 0.74 H new ATOM 0 HD21 LEU B 67 5.689 -6.855 15.078 1.00 0.79 H new ATOM 0 HD22 LEU B 67 3.939 -6.538 15.031 1.00 0.79 H new ATOM 0 HD23 LEU B 67 4.541 -8.212 14.998 1.00 0.79 H new ATOM 2711 N LYS B 68 1.629 -9.709 11.107 1.00 0.48 N ATOM 2712 CA LYS B 68 0.403 -10.072 10.387 1.00 0.55 C ATOM 2713 C LYS B 68 -0.561 -8.895 10.241 1.00 0.47 C ATOM 2714 O LYS B 68 -1.221 -8.489 11.199 1.00 0.50 O ATOM 2715 CB LYS B 68 -0.299 -11.245 11.074 1.00 0.69 C ATOM 2716 CG LYS B 68 0.567 -12.489 11.171 1.00 0.56 C ATOM 2717 CD LYS B 68 -0.267 -13.754 11.205 1.00 0.67 C ATOM 2718 CE LYS B 68 0.617 -14.986 11.192 1.00 0.69 C ATOM 2719 NZ LYS B 68 -0.160 -16.225 10.951 1.00 1.04 N ATOM 0 H LYS B 68 2.474 -9.782 10.540 1.00 0.48 H new ATOM 0 HA LYS B 68 0.705 -10.370 9.383 1.00 0.55 H new ATOM 0 HB2 LYS B 68 -0.601 -10.942 12.076 1.00 0.69 H new ATOM 0 HB3 LYS B 68 -1.210 -11.486 10.526 1.00 0.69 H new ATOM 0 HG2 LYS B 68 1.248 -12.525 10.320 1.00 0.56 H new ATOM 0 HG3 LYS B 68 1.182 -12.435 12.069 1.00 0.56 H new ATOM 0 HD2 LYS B 68 -0.891 -13.759 12.099 1.00 0.67 H new ATOM 0 HD3 LYS B 68 -0.939 -13.775 10.347 1.00 0.67 H new ATOM 0 HE2 LYS B 68 1.377 -14.879 10.418 1.00 0.69 H new ATOM 0 HE3 LYS B 68 1.141 -15.066 12.144 1.00 0.69 H new ATOM 0 HZ1 LYS B 68 0.408 -17.051 11.230 1.00 1.04 H new ATOM 0 HZ2 LYS B 68 -1.035 -16.201 11.513 1.00 1.04 H new ATOM 0 HZ3 LYS B 68 -0.399 -16.294 9.941 1.00 1.04 H new ATOM 2733 N GLY B 69 -0.656 -8.375 9.021 1.00 0.50 N ATOM 2734 CA GLY B 69 -1.534 -7.253 8.750 1.00 0.59 C ATOM 2735 C GLY B 69 -1.161 -6.032 9.562 1.00 0.54 C ATOM 2736 O GLY B 69 -2.028 -5.329 10.083 1.00 0.57 O ATOM 0 H GLY B 69 -0.137 -8.714 8.211 1.00 0.50 H new ATOM 0 HA2 GLY B 69 -1.493 -7.009 7.689 1.00 0.59 H new ATOM 0 HA3 GLY B 69 -2.563 -7.536 8.972 1.00 0.59 H new ATOM 2740 N GLN B 70 0.133 -5.780 9.662 1.00 0.50 N ATOM 2741 CA GLN B 70 0.635 -4.659 10.430 1.00 0.46 C ATOM 2742 C GLN B 70 1.643 -3.868 9.614 1.00 0.38 C ATOM 2743 O GLN B 70 2.257 -4.400 8.689 1.00 0.37 O ATOM 2744 CB GLN B 70 1.280 -5.173 11.716 1.00 0.50 C ATOM 2745 CG GLN B 70 1.469 -4.111 12.786 1.00 1.31 C ATOM 2746 CD GLN B 70 0.198 -3.336 13.064 1.00 1.89 C ATOM 2747 OE1 GLN B 70 -0.002 -2.240 12.539 1.00 2.68 O ATOM 2748 NE2 GLN B 70 -0.675 -3.909 13.873 1.00 2.32 N ATOM 0 H GLN B 70 0.858 -6.343 9.216 1.00 0.50 H new ATOM 0 HA GLN B 70 -0.194 -3.998 10.683 1.00 0.46 H new ATOM 0 HB2 GLN B 70 0.665 -5.976 12.122 1.00 0.50 H new ATOM 0 HB3 GLN B 70 2.251 -5.606 11.474 1.00 0.50 H new ATOM 0 HG2 GLN B 70 1.811 -4.584 13.707 1.00 1.31 H new ATOM 0 HG3 GLN B 70 2.251 -3.420 12.473 1.00 1.31 H new ATOM 0 HE21 GLN B 70 -0.467 -4.818 14.286 1.00 2.32 H new ATOM 0 HE22 GLN B 70 -1.557 -3.442 14.085 1.00 2.32 H new ATOM 2757 N VAL B 71 1.801 -2.601 9.957 1.00 0.36 N ATOM 2758 CA VAL B 71 2.738 -1.736 9.267 1.00 0.32 C ATOM 2759 C VAL B 71 4.014 -1.570 10.093 1.00 0.31 C ATOM 2760 O VAL B 71 3.983 -1.108 11.236 1.00 0.39 O ATOM 2761 CB VAL B 71 2.109 -0.355 8.953 1.00 0.38 C ATOM 2762 CG1 VAL B 71 1.495 0.271 10.199 1.00 1.28 C ATOM 2763 CG2 VAL B 71 3.134 0.580 8.328 1.00 1.35 C ATOM 0 H VAL B 71 1.289 -2.148 10.714 1.00 0.36 H new ATOM 0 HA VAL B 71 2.992 -2.207 8.317 1.00 0.32 H new ATOM 0 HB VAL B 71 1.308 -0.514 8.231 1.00 0.38 H new ATOM 0 HG11 VAL B 71 1.062 1.239 9.945 1.00 1.28 H new ATOM 0 HG12 VAL B 71 0.716 -0.384 10.589 1.00 1.28 H new ATOM 0 HG13 VAL B 71 2.267 0.407 10.956 1.00 1.28 H new ATOM 0 HG21 VAL B 71 2.668 1.542 8.117 1.00 1.35 H new ATOM 0 HG22 VAL B 71 3.965 0.723 9.019 1.00 1.35 H new ATOM 0 HG23 VAL B 71 3.505 0.145 7.400 1.00 1.35 H new ATOM 2773 N LEU B 72 5.130 -1.981 9.519 1.00 0.27 N ATOM 2774 CA LEU B 72 6.414 -1.883 10.188 1.00 0.29 C ATOM 2775 C LEU B 72 7.356 -0.989 9.395 1.00 0.31 C ATOM 2776 O LEU B 72 7.798 -1.351 8.303 1.00 0.44 O ATOM 2777 CB LEU B 72 7.033 -3.271 10.357 1.00 0.35 C ATOM 2778 CG LEU B 72 8.339 -3.301 11.151 1.00 0.44 C ATOM 2779 CD1 LEU B 72 8.092 -2.926 12.602 1.00 1.37 C ATOM 2780 CD2 LEU B 72 8.984 -4.672 11.055 1.00 1.05 C ATOM 0 H LEU B 72 5.172 -2.388 8.585 1.00 0.27 H new ATOM 0 HA LEU B 72 6.257 -1.445 11.174 1.00 0.29 H new ATOM 0 HB2 LEU B 72 6.309 -3.918 10.852 1.00 0.35 H new ATOM 0 HB3 LEU B 72 7.215 -3.694 9.369 1.00 0.35 H new ATOM 0 HG LEU B 72 9.021 -2.567 10.722 1.00 0.44 H new ATOM 0 HD11 LEU B 72 9.034 -2.953 13.150 1.00 1.37 H new ATOM 0 HD12 LEU B 72 7.672 -1.921 12.652 1.00 1.37 H new ATOM 0 HD13 LEU B 72 7.393 -3.634 13.047 1.00 1.37 H new ATOM 0 HD21 LEU B 72 9.913 -4.678 11.625 1.00 1.05 H new ATOM 0 HD22 LEU B 72 8.305 -5.423 11.460 1.00 1.05 H new ATOM 0 HD23 LEU B 72 9.198 -4.901 10.011 1.00 1.05 H new ATOM 2792 N SER B 73 7.643 0.182 9.937 1.00 0.27 N ATOM 2793 CA SER B 73 8.533 1.124 9.285 1.00 0.33 C ATOM 2794 C SER B 73 9.978 0.877 9.708 1.00 0.28 C ATOM 2795 O SER B 73 10.324 1.010 10.882 1.00 0.31 O ATOM 2796 CB SER B 73 8.116 2.555 9.624 1.00 0.48 C ATOM 2797 OG SER B 73 6.748 2.772 9.309 1.00 1.38 O ATOM 0 H SER B 73 7.270 0.503 10.831 1.00 0.27 H new ATOM 0 HA SER B 73 8.464 0.982 8.207 1.00 0.33 H new ATOM 0 HB2 SER B 73 8.284 2.746 10.684 1.00 0.48 H new ATOM 0 HB3 SER B 73 8.737 3.260 9.071 1.00 0.48 H new ATOM 0 HG SER B 73 6.502 3.693 9.535 1.00 1.38 H new ATOM 2803 N VAL B 74 10.806 0.490 8.752 1.00 0.29 N ATOM 2804 CA VAL B 74 12.213 0.231 9.013 1.00 0.28 C ATOM 2805 C VAL B 74 13.069 1.360 8.444 1.00 0.23 C ATOM 2806 O VAL B 74 12.870 1.790 7.305 1.00 0.24 O ATOM 2807 CB VAL B 74 12.664 -1.133 8.429 1.00 0.34 C ATOM 2808 CG1 VAL B 74 12.235 -1.280 6.978 1.00 0.35 C ATOM 2809 CG2 VAL B 74 14.169 -1.317 8.562 1.00 0.41 C ATOM 0 H VAL B 74 10.526 0.347 7.782 1.00 0.29 H new ATOM 0 HA VAL B 74 12.348 0.187 10.094 1.00 0.28 H new ATOM 0 HB VAL B 74 12.173 -1.915 9.008 1.00 0.34 H new ATOM 0 HG11 VAL B 74 12.566 -2.246 6.597 1.00 0.35 H new ATOM 0 HG12 VAL B 74 11.149 -1.216 6.911 1.00 0.35 H new ATOM 0 HG13 VAL B 74 12.682 -0.483 6.384 1.00 0.35 H new ATOM 0 HG21 VAL B 74 14.456 -2.282 8.144 1.00 0.41 H new ATOM 0 HG22 VAL B 74 14.682 -0.521 8.022 1.00 0.41 H new ATOM 0 HG23 VAL B 74 14.448 -1.280 9.615 1.00 0.41 H new ATOM 2819 N MET B 75 13.996 1.856 9.251 1.00 0.21 N ATOM 2820 CA MET B 75 14.877 2.935 8.831 1.00 0.20 C ATOM 2821 C MET B 75 16.225 2.386 8.370 1.00 0.20 C ATOM 2822 O MET B 75 17.013 1.886 9.177 1.00 0.24 O ATOM 2823 CB MET B 75 15.083 3.925 9.977 1.00 0.26 C ATOM 2824 CG MET B 75 15.617 5.272 9.526 1.00 0.29 C ATOM 2825 SD MET B 75 14.423 6.191 8.535 1.00 0.41 S ATOM 2826 CE MET B 75 15.434 7.553 7.962 1.00 0.41 C ATOM 0 H MET B 75 14.157 1.527 10.203 1.00 0.21 H new ATOM 0 HA MET B 75 14.408 3.451 7.993 1.00 0.20 H new ATOM 0 HB2 MET B 75 14.134 4.074 10.493 1.00 0.26 H new ATOM 0 HB3 MET B 75 15.775 3.493 10.700 1.00 0.26 H new ATOM 0 HG2 MET B 75 15.890 5.863 10.401 1.00 0.29 H new ATOM 0 HG3 MET B 75 16.528 5.123 8.946 1.00 0.29 H new ATOM 0 HE1 MET B 75 15.026 8.492 8.337 1.00 0.41 H new ATOM 0 HE2 MET B 75 16.453 7.429 8.328 1.00 0.41 H new ATOM 0 HE3 MET B 75 15.439 7.569 6.872 1.00 0.41 H new ATOM 2836 N PHE B 76 16.479 2.479 7.073 1.00 0.21 N ATOM 2837 CA PHE B 76 17.726 1.996 6.493 1.00 0.23 C ATOM 2838 C PHE B 76 18.132 2.883 5.321 1.00 0.22 C ATOM 2839 O PHE B 76 17.588 3.971 5.146 1.00 0.21 O ATOM 2840 CB PHE B 76 17.576 0.538 6.033 1.00 0.26 C ATOM 2841 CG PHE B 76 16.603 0.351 4.900 1.00 0.27 C ATOM 2842 CD1 PHE B 76 15.237 0.375 5.127 1.00 0.31 C ATOM 2843 CD2 PHE B 76 17.058 0.158 3.606 1.00 0.31 C ATOM 2844 CE1 PHE B 76 14.347 0.207 4.087 1.00 0.37 C ATOM 2845 CE2 PHE B 76 16.172 -0.009 2.561 1.00 0.36 C ATOM 2846 CZ PHE B 76 14.814 0.017 2.802 1.00 0.38 C ATOM 0 H PHE B 76 15.834 2.887 6.397 1.00 0.21 H new ATOM 0 HA PHE B 76 18.506 2.037 7.254 1.00 0.23 H new ATOM 0 HB2 PHE B 76 18.552 0.162 5.726 1.00 0.26 H new ATOM 0 HB3 PHE B 76 17.253 -0.068 6.880 1.00 0.26 H new ATOM 0 HD1 PHE B 76 14.865 0.527 6.129 1.00 0.31 H new ATOM 0 HD2 PHE B 76 18.120 0.138 3.412 1.00 0.31 H new ATOM 0 HE1 PHE B 76 13.284 0.224 4.278 1.00 0.37 H new ATOM 0 HE2 PHE B 76 16.541 -0.160 1.557 1.00 0.36 H new ATOM 0 HZ PHE B 76 14.117 -0.111 1.987 1.00 0.38 H new ATOM 2856 N ARG B 77 19.085 2.424 4.523 1.00 0.25 N ATOM 2857 CA ARG B 77 19.538 3.184 3.371 1.00 0.25 C ATOM 2858 C ARG B 77 19.388 2.365 2.095 1.00 0.23 C ATOM 2859 O ARG B 77 19.864 1.233 2.013 1.00 0.26 O ATOM 2860 CB ARG B 77 20.990 3.623 3.550 1.00 0.30 C ATOM 2861 CG ARG B 77 21.157 4.758 4.544 1.00 0.48 C ATOM 2862 CD ARG B 77 22.548 5.361 4.476 1.00 0.63 C ATOM 2863 NE ARG B 77 23.349 5.031 5.655 1.00 1.50 N ATOM 2864 CZ ARG B 77 24.569 5.516 5.885 1.00 1.87 C ATOM 2865 NH1 ARG B 77 25.140 6.332 5.008 1.00 1.59 N ATOM 2866 NH2 ARG B 77 25.218 5.183 6.991 1.00 2.97 N ATOM 0 H ARG B 77 19.558 1.530 4.653 1.00 0.25 H new ATOM 0 HA ARG B 77 18.916 4.075 3.287 1.00 0.25 H new ATOM 0 HB2 ARG B 77 21.582 2.770 3.881 1.00 0.30 H new ATOM 0 HB3 ARG B 77 21.390 3.933 2.585 1.00 0.30 H new ATOM 0 HG2 ARG B 77 20.415 5.531 4.343 1.00 0.48 H new ATOM 0 HG3 ARG B 77 20.968 4.390 5.552 1.00 0.48 H new ATOM 0 HD2 ARG B 77 23.055 5.001 3.581 1.00 0.63 H new ATOM 0 HD3 ARG B 77 22.469 6.444 4.383 1.00 0.63 H new ATOM 0 HE ARG B 77 22.950 4.391 6.342 1.00 1.50 H new ATOM 0 HH11 ARG B 77 24.645 6.590 4.154 1.00 1.59 H new ATOM 0 HH12 ARG B 77 26.074 6.701 5.188 1.00 1.59 H new ATOM 0 HH21 ARG B 77 24.784 4.555 7.667 1.00 2.97 H new ATOM 0 HH22 ARG B 77 26.152 5.555 7.166 1.00 2.97 H new ATOM 2880 N PHE B 78 18.722 2.943 1.110 1.00 0.24 N ATOM 2881 CA PHE B 78 18.501 2.279 -0.166 1.00 0.23 C ATOM 2882 C PHE B 78 19.409 2.888 -1.229 1.00 0.21 C ATOM 2883 O PHE B 78 19.889 4.010 -1.066 1.00 0.22 O ATOM 2884 CB PHE B 78 17.032 2.415 -0.575 1.00 0.27 C ATOM 2885 CG PHE B 78 16.562 1.356 -1.531 1.00 0.27 C ATOM 2886 CD1 PHE B 78 16.411 0.043 -1.116 1.00 0.34 C ATOM 2887 CD2 PHE B 78 16.265 1.678 -2.845 1.00 0.33 C ATOM 2888 CE1 PHE B 78 15.975 -0.929 -1.994 1.00 0.37 C ATOM 2889 CE2 PHE B 78 15.827 0.711 -3.727 1.00 0.37 C ATOM 2890 CZ PHE B 78 15.682 -0.595 -3.301 1.00 0.33 C ATOM 0 H PHE B 78 18.321 3.879 1.170 1.00 0.24 H new ATOM 0 HA PHE B 78 18.739 1.220 -0.068 1.00 0.23 H new ATOM 0 HB2 PHE B 78 16.412 2.382 0.321 1.00 0.27 H new ATOM 0 HB3 PHE B 78 16.882 3.394 -1.031 1.00 0.27 H new ATOM 0 HD1 PHE B 78 16.637 -0.223 -0.094 1.00 0.34 H new ATOM 0 HD2 PHE B 78 16.377 2.697 -3.183 1.00 0.33 H new ATOM 0 HE1 PHE B 78 15.863 -1.950 -1.659 1.00 0.37 H new ATOM 0 HE2 PHE B 78 15.598 0.975 -4.749 1.00 0.37 H new ATOM 0 HZ PHE B 78 15.340 -1.354 -3.989 1.00 0.33 H new ATOM 2900 N ARG B 79 19.653 2.150 -2.303 1.00 0.25 N ATOM 2901 CA ARG B 79 20.510 2.628 -3.381 1.00 0.26 C ATOM 2902 C ARG B 79 19.688 3.195 -4.535 1.00 0.26 C ATOM 2903 O ARG B 79 18.704 2.594 -4.969 1.00 0.36 O ATOM 2904 CB ARG B 79 21.401 1.490 -3.889 1.00 0.36 C ATOM 2905 CG ARG B 79 22.265 1.865 -5.081 1.00 0.33 C ATOM 2906 CD ARG B 79 23.156 0.710 -5.503 1.00 0.56 C ATOM 2907 NE ARG B 79 23.293 0.625 -6.954 1.00 1.04 N ATOM 2908 CZ ARG B 79 23.295 -0.521 -7.635 1.00 1.28 C ATOM 2909 NH1 ARG B 79 23.179 -1.683 -7.000 1.00 1.06 N ATOM 2910 NH2 ARG B 79 23.416 -0.498 -8.954 1.00 2.22 N ATOM 0 H ARG B 79 19.269 1.217 -2.452 1.00 0.25 H new ATOM 0 HA ARG B 79 21.134 3.428 -2.982 1.00 0.26 H new ATOM 0 HB2 ARG B 79 22.046 1.157 -3.076 1.00 0.36 H new ATOM 0 HB3 ARG B 79 20.771 0.644 -4.162 1.00 0.36 H new ATOM 0 HG2 ARG B 79 21.629 2.160 -5.915 1.00 0.33 H new ATOM 0 HG3 ARG B 79 22.881 2.729 -4.829 1.00 0.33 H new ATOM 0 HD2 ARG B 79 24.141 0.829 -5.052 1.00 0.56 H new ATOM 0 HD3 ARG B 79 22.743 -0.224 -5.123 1.00 0.56 H new ATOM 0 HE ARG B 79 23.393 1.494 -7.478 1.00 1.04 H new ATOM 0 HH11 ARG B 79 23.088 -1.702 -5.984 1.00 1.06 H new ATOM 0 HH12 ARG B 79 23.181 -2.555 -7.528 1.00 1.06 H new ATOM 0 HH21 ARG B 79 23.507 0.393 -9.442 1.00 2.22 H new ATOM 0 HH22 ARG B 79 23.418 -1.371 -9.481 1.00 2.22 H new ATOM 2924 N SER B 80 20.097 4.355 -5.026 1.00 0.25 N ATOM 2925 CA SER B 80 19.418 4.993 -6.140 1.00 0.33 C ATOM 2926 C SER B 80 20.075 4.580 -7.452 1.00 0.32 C ATOM 2927 O SER B 80 21.023 3.790 -7.462 1.00 0.32 O ATOM 2928 CB SER B 80 19.484 6.513 -5.996 1.00 0.46 C ATOM 2929 OG SER B 80 20.788 6.987 -6.281 1.00 1.06 O ATOM 0 H SER B 80 20.899 4.874 -4.668 1.00 0.25 H new ATOM 0 HA SER B 80 18.375 4.678 -6.141 1.00 0.33 H new ATOM 0 HB2 SER B 80 18.767 6.979 -6.672 1.00 0.46 H new ATOM 0 HB3 SER B 80 19.201 6.800 -4.983 1.00 0.46 H new ATOM 0 HG SER B 80 20.828 7.952 -6.117 1.00 1.06 H new ATOM 2935 N LYS B 81 19.585 5.134 -8.555 1.00 0.35 N ATOM 2936 CA LYS B 81 20.136 4.844 -9.871 1.00 0.37 C ATOM 2937 C LYS B 81 21.522 5.476 -10.012 1.00 0.40 C ATOM 2938 O LYS B 81 22.245 5.230 -10.975 1.00 0.48 O ATOM 2939 CB LYS B 81 19.191 5.368 -10.959 1.00 0.41 C ATOM 2940 CG LYS B 81 19.577 4.952 -12.370 1.00 0.45 C ATOM 2941 CD LYS B 81 19.540 3.442 -12.540 1.00 0.47 C ATOM 2942 CE LYS B 81 20.129 3.021 -13.875 1.00 0.67 C ATOM 2943 NZ LYS B 81 20.132 1.545 -14.039 1.00 1.69 N ATOM 0 H LYS B 81 18.803 5.789 -8.562 1.00 0.35 H new ATOM 0 HA LYS B 81 20.236 3.765 -9.987 1.00 0.37 H new ATOM 0 HB2 LYS B 81 18.182 5.013 -10.750 1.00 0.41 H new ATOM 0 HB3 LYS B 81 19.163 6.456 -10.907 1.00 0.41 H new ATOM 0 HG2 LYS B 81 18.897 5.416 -13.085 1.00 0.45 H new ATOM 0 HG3 LYS B 81 20.578 5.320 -12.597 1.00 0.45 H new ATOM 0 HD2 LYS B 81 20.096 2.969 -11.730 1.00 0.47 H new ATOM 0 HD3 LYS B 81 18.511 3.091 -12.468 1.00 0.47 H new ATOM 0 HE2 LYS B 81 19.556 3.475 -14.684 1.00 0.67 H new ATOM 0 HE3 LYS B 81 21.149 3.397 -13.957 1.00 0.67 H new ATOM 0 HZ1 LYS B 81 20.772 1.283 -14.816 1.00 1.69 H new ATOM 0 HZ2 LYS B 81 20.457 1.098 -13.158 1.00 1.69 H new ATOM 0 HZ3 LYS B 81 19.169 1.218 -14.258 1.00 1.69 H new ATOM 2957 N ASN B 82 21.889 6.288 -9.029 1.00 0.39 N ATOM 2958 CA ASN B 82 23.181 6.960 -9.026 1.00 0.45 C ATOM 2959 C ASN B 82 24.177 6.194 -8.166 1.00 0.43 C ATOM 2960 O ASN B 82 25.285 6.669 -7.919 1.00 0.50 O ATOM 2961 CB ASN B 82 23.031 8.389 -8.500 1.00 0.53 C ATOM 2962 CG ASN B 82 22.011 9.193 -9.281 1.00 0.95 C ATOM 2963 OD1 ASN B 82 21.955 9.126 -10.509 1.00 1.75 O ATOM 2964 ND2 ASN B 82 21.185 9.946 -8.575 1.00 0.81 N ATOM 0 H ASN B 82 21.306 6.498 -8.219 1.00 0.39 H new ATOM 0 HA ASN B 82 23.555 6.995 -10.049 1.00 0.45 H new ATOM 0 HB2 ASN B 82 22.737 8.357 -7.451 1.00 0.53 H new ATOM 0 HB3 ASN B 82 23.997 8.892 -8.545 1.00 0.53 H new ATOM 0 HD21 ASN B 82 20.469 10.498 -9.047 1.00 0.81 H new ATOM 0 HD22 ASN B 82 21.264 9.975 -7.558 1.00 0.81 H new ATOM 2971 N GLN B 83 23.759 5.013 -7.702 1.00 0.37 N ATOM 2972 CA GLN B 83 24.595 4.145 -6.865 1.00 0.40 C ATOM 2973 C GLN B 83 24.844 4.762 -5.490 1.00 0.37 C ATOM 2974 O GLN B 83 25.736 4.330 -4.760 1.00 0.46 O ATOM 2975 CB GLN B 83 25.936 3.835 -7.546 1.00 0.53 C ATOM 2976 CG GLN B 83 25.906 2.618 -8.457 1.00 0.63 C ATOM 2977 CD GLN B 83 24.890 2.737 -9.574 1.00 0.90 C ATOM 2978 OE1 GLN B 83 23.758 2.267 -9.450 1.00 1.62 O ATOM 2979 NE2 GLN B 83 25.283 3.378 -10.663 1.00 0.87 N ATOM 0 H GLN B 83 22.833 4.631 -7.895 1.00 0.37 H new ATOM 0 HA GLN B 83 24.047 3.212 -6.731 1.00 0.40 H new ATOM 0 HB2 GLN B 83 26.244 4.703 -8.128 1.00 0.53 H new ATOM 0 HB3 GLN B 83 26.694 3.681 -6.778 1.00 0.53 H new ATOM 0 HG2 GLN B 83 26.896 2.470 -8.889 1.00 0.63 H new ATOM 0 HG3 GLN B 83 25.682 1.732 -7.863 1.00 0.63 H new ATOM 0 HE21 GLN B 83 26.231 3.751 -10.721 1.00 0.87 H new ATOM 0 HE22 GLN B 83 24.638 3.499 -11.444 1.00 0.87 H new ATOM 2988 N GLU B 84 24.049 5.759 -5.134 1.00 0.37 N ATOM 2989 CA GLU B 84 24.198 6.420 -3.846 1.00 0.38 C ATOM 2990 C GLU B 84 23.245 5.806 -2.828 1.00 0.31 C ATOM 2991 O GLU B 84 22.224 5.221 -3.197 1.00 0.42 O ATOM 2992 CB GLU B 84 23.946 7.925 -3.981 1.00 0.53 C ATOM 2993 CG GLU B 84 22.477 8.294 -4.091 1.00 1.22 C ATOM 2994 CD GLU B 84 22.253 9.603 -4.814 1.00 2.08 C ATOM 2995 OE1 GLU B 84 22.767 10.642 -4.353 1.00 2.45 O ATOM 2996 OE2 GLU B 84 21.553 9.600 -5.848 1.00 2.78 O ATOM 0 H GLU B 84 23.297 6.127 -5.716 1.00 0.37 H new ATOM 0 HA GLU B 84 25.220 6.276 -3.497 1.00 0.38 H new ATOM 0 HB2 GLU B 84 24.375 8.434 -3.118 1.00 0.53 H new ATOM 0 HB3 GLU B 84 24.470 8.294 -4.862 1.00 0.53 H new ATOM 0 HG2 GLU B 84 21.946 7.499 -4.615 1.00 1.22 H new ATOM 0 HG3 GLU B 84 22.048 8.359 -3.091 1.00 1.22 H new ATOM 3003 N TRP B 85 23.586 5.934 -1.555 1.00 0.32 N ATOM 3004 CA TRP B 85 22.761 5.391 -0.487 1.00 0.33 C ATOM 3005 C TRP B 85 21.975 6.506 0.189 1.00 0.33 C ATOM 3006 O TRP B 85 22.558 7.474 0.676 1.00 0.45 O ATOM 3007 CB TRP B 85 23.627 4.662 0.546 1.00 0.41 C ATOM 3008 CG TRP B 85 24.600 3.693 -0.058 1.00 0.42 C ATOM 3009 CD1 TRP B 85 25.949 3.865 -0.198 1.00 0.66 C ATOM 3010 CD2 TRP B 85 24.302 2.402 -0.602 1.00 0.50 C ATOM 3011 NE1 TRP B 85 26.505 2.761 -0.796 1.00 0.63 N ATOM 3012 CE2 TRP B 85 25.516 1.850 -1.055 1.00 0.50 C ATOM 3013 CE3 TRP B 85 23.128 1.657 -0.748 1.00 0.84 C ATOM 3014 CZ2 TRP B 85 25.586 0.591 -1.646 1.00 0.67 C ATOM 3015 CZ3 TRP B 85 23.203 0.407 -1.335 1.00 1.10 C ATOM 3016 CH2 TRP B 85 24.424 -0.114 -1.777 1.00 0.97 C ATOM 0 H TRP B 85 24.430 6.410 -1.236 1.00 0.32 H new ATOM 0 HA TRP B 85 22.062 4.677 -0.922 1.00 0.33 H new ATOM 0 HB2 TRP B 85 24.178 5.399 1.130 1.00 0.41 H new ATOM 0 HB3 TRP B 85 22.977 4.127 1.239 1.00 0.41 H new ATOM 0 HD1 TRP B 85 26.497 4.741 0.116 1.00 0.66 H new ATOM 0 HE1 TRP B 85 27.494 2.639 -1.012 1.00 0.63 H new ATOM 0 HE3 TRP B 85 22.181 2.050 -0.409 1.00 0.84 H new ATOM 0 HZ2 TRP B 85 26.527 0.186 -1.989 1.00 0.67 H new ATOM 0 HZ3 TRP B 85 22.303 -0.178 -1.454 1.00 1.10 H new ATOM 0 HH2 TRP B 85 24.448 -1.094 -2.231 1.00 0.97 H new ATOM 3027 N LEU B 86 20.659 6.371 0.213 1.00 0.28 N ATOM 3028 CA LEU B 86 19.796 7.371 0.828 1.00 0.29 C ATOM 3029 C LEU B 86 18.955 6.752 1.939 1.00 0.26 C ATOM 3030 O LEU B 86 18.493 5.617 1.816 1.00 0.28 O ATOM 3031 CB LEU B 86 18.884 8.018 -0.222 1.00 0.34 C ATOM 3032 CG LEU B 86 18.253 7.050 -1.229 1.00 0.42 C ATOM 3033 CD1 LEU B 86 16.818 7.445 -1.525 1.00 0.96 C ATOM 3034 CD2 LEU B 86 19.060 7.020 -2.517 1.00 1.03 C ATOM 0 H LEU B 86 20.162 5.576 -0.188 1.00 0.28 H new ATOM 0 HA LEU B 86 20.433 8.142 1.262 1.00 0.29 H new ATOM 0 HB2 LEU B 86 18.085 8.551 0.294 1.00 0.34 H new ATOM 0 HB3 LEU B 86 19.461 8.762 -0.771 1.00 0.34 H new ATOM 0 HG LEU B 86 18.257 6.053 -0.789 1.00 0.42 H new ATOM 0 HD11 LEU B 86 16.388 6.745 -2.242 1.00 0.96 H new ATOM 0 HD12 LEU B 86 16.237 7.422 -0.603 1.00 0.96 H new ATOM 0 HD13 LEU B 86 16.796 8.451 -1.943 1.00 0.96 H new ATOM 0 HD21 LEU B 86 18.597 6.328 -3.220 1.00 1.03 H new ATOM 0 HD22 LEU B 86 19.085 8.018 -2.954 1.00 1.03 H new ATOM 0 HD23 LEU B 86 20.077 6.693 -2.302 1.00 1.03 H new ATOM 3046 N TRP B 87 18.777 7.496 3.027 1.00 0.28 N ATOM 3047 CA TRP B 87 17.983 7.030 4.160 1.00 0.29 C ATOM 3048 C TRP B 87 16.513 6.937 3.773 1.00 0.29 C ATOM 3049 O TRP B 87 15.850 7.953 3.551 1.00 0.39 O ATOM 3050 CB TRP B 87 18.146 7.964 5.359 1.00 0.33 C ATOM 3051 CG TRP B 87 19.391 7.715 6.150 1.00 0.38 C ATOM 3052 CD1 TRP B 87 20.601 8.329 5.993 1.00 0.47 C ATOM 3053 CD2 TRP B 87 19.549 6.781 7.225 1.00 0.40 C ATOM 3054 NE1 TRP B 87 21.499 7.838 6.909 1.00 0.53 N ATOM 3055 CE2 TRP B 87 20.877 6.887 7.675 1.00 0.48 C ATOM 3056 CE3 TRP B 87 18.697 5.865 7.852 1.00 0.43 C ATOM 3057 CZ2 TRP B 87 21.371 6.117 8.723 1.00 0.53 C ATOM 3058 CZ3 TRP B 87 19.191 5.100 8.892 1.00 0.50 C ATOM 3059 CH2 TRP B 87 20.517 5.231 9.318 1.00 0.53 C ATOM 0 H TRP B 87 19.174 8.428 3.148 1.00 0.28 H new ATOM 0 HA TRP B 87 18.342 6.040 4.440 1.00 0.29 H new ATOM 0 HB2 TRP B 87 18.150 8.996 5.007 1.00 0.33 H new ATOM 0 HB3 TRP B 87 17.282 7.854 6.014 1.00 0.33 H new ATOM 0 HD1 TRP B 87 20.819 9.089 5.257 1.00 0.47 H new ATOM 0 HE1 TRP B 87 22.471 8.133 7.004 1.00 0.53 H new ATOM 0 HE3 TRP B 87 17.672 5.758 7.529 1.00 0.43 H new ATOM 0 HZ2 TRP B 87 22.394 6.216 9.055 1.00 0.53 H new ATOM 0 HZ3 TRP B 87 18.543 4.390 9.384 1.00 0.50 H new ATOM 0 HH2 TRP B 87 20.873 4.620 10.134 1.00 0.53 H new ATOM 3070 N MET B 88 16.011 5.717 3.704 1.00 0.31 N ATOM 3071 CA MET B 88 14.632 5.479 3.323 1.00 0.39 C ATOM 3072 C MET B 88 13.872 4.782 4.442 1.00 0.37 C ATOM 3073 O MET B 88 14.316 3.758 4.964 1.00 0.40 O ATOM 3074 CB MET B 88 14.586 4.628 2.052 1.00 0.52 C ATOM 3075 CG MET B 88 13.180 4.338 1.552 1.00 0.73 C ATOM 3076 SD MET B 88 12.818 5.154 -0.016 1.00 1.53 S ATOM 3077 CE MET B 88 14.002 4.357 -1.096 1.00 0.91 C ATOM 0 H MET B 88 16.543 4.871 3.909 1.00 0.31 H new ATOM 0 HA MET B 88 14.155 6.441 3.133 1.00 0.39 H new ATOM 0 HB2 MET B 88 15.142 5.138 1.265 1.00 0.52 H new ATOM 0 HB3 MET B 88 15.095 3.683 2.241 1.00 0.52 H new ATOM 0 HG2 MET B 88 13.055 3.262 1.434 1.00 0.73 H new ATOM 0 HG3 MET B 88 12.458 4.663 2.301 1.00 0.73 H new ATOM 0 HE1 MET B 88 13.704 4.504 -2.134 1.00 0.91 H new ATOM 0 HE2 MET B 88 14.989 4.791 -0.937 1.00 0.91 H new ATOM 0 HE3 MET B 88 14.034 3.290 -0.876 1.00 0.91 H new ATOM 3087 N ARG B 89 12.742 5.356 4.817 1.00 0.36 N ATOM 3088 CA ARG B 89 11.899 4.780 5.847 1.00 0.37 C ATOM 3089 C ARG B 89 10.838 3.923 5.176 1.00 0.36 C ATOM 3090 O ARG B 89 9.830 4.435 4.682 1.00 0.42 O ATOM 3091 CB ARG B 89 11.241 5.871 6.693 1.00 0.44 C ATOM 3092 CG ARG B 89 10.371 5.326 7.816 1.00 0.58 C ATOM 3093 CD ARG B 89 9.124 6.170 8.012 1.00 0.97 C ATOM 3094 NE ARG B 89 8.312 6.243 6.795 1.00 2.01 N ATOM 3095 CZ ARG B 89 7.143 6.879 6.716 1.00 2.63 C ATOM 3096 NH1 ARG B 89 6.622 7.461 7.787 1.00 2.41 N ATOM 3097 NH2 ARG B 89 6.484 6.925 5.565 1.00 3.80 N ATOM 0 H ARG B 89 12.387 6.226 4.420 1.00 0.36 H new ATOM 0 HA ARG B 89 12.509 4.171 6.514 1.00 0.37 H new ATOM 0 HB2 ARG B 89 12.017 6.506 7.121 1.00 0.44 H new ATOM 0 HB3 ARG B 89 10.632 6.503 6.047 1.00 0.44 H new ATOM 0 HG2 ARG B 89 10.085 4.299 7.590 1.00 0.58 H new ATOM 0 HG3 ARG B 89 10.944 5.301 8.743 1.00 0.58 H new ATOM 0 HD2 ARG B 89 8.526 5.751 8.822 1.00 0.97 H new ATOM 0 HD3 ARG B 89 9.412 7.176 8.316 1.00 0.97 H new ATOM 0 HE ARG B 89 8.662 5.779 5.957 1.00 2.01 H new ATOM 0 HH11 ARG B 89 7.116 7.424 8.679 1.00 2.41 H new ATOM 0 HH12 ARG B 89 5.727 7.946 7.719 1.00 2.41 H new ATOM 0 HH21 ARG B 89 6.872 6.473 4.737 1.00 3.80 H new ATOM 0 HH22 ARG B 89 5.590 7.413 5.508 1.00 3.80 H new ATOM 3111 N THR B 90 11.080 2.630 5.139 1.00 0.33 N ATOM 3112 CA THR B 90 10.174 1.702 4.497 1.00 0.34 C ATOM 3113 C THR B 90 9.120 1.156 5.454 1.00 0.31 C ATOM 3114 O THR B 90 9.423 0.382 6.364 1.00 0.34 O ATOM 3115 CB THR B 90 10.962 0.541 3.867 1.00 0.38 C ATOM 3116 OG1 THR B 90 11.717 1.027 2.754 1.00 0.43 O ATOM 3117 CG2 THR B 90 10.040 -0.577 3.410 1.00 0.43 C ATOM 0 H THR B 90 11.905 2.194 5.551 1.00 0.33 H new ATOM 0 HA THR B 90 9.649 2.256 3.719 1.00 0.34 H new ATOM 0 HB THR B 90 11.631 0.135 4.625 1.00 0.38 H new ATOM 0 HG1 THR B 90 12.653 0.752 2.848 1.00 0.43 H new ATOM 0 HG21 THR B 90 10.632 -1.380 2.970 1.00 0.43 H new ATOM 0 HG22 THR B 90 9.484 -0.962 4.265 1.00 0.43 H new ATOM 0 HG23 THR B 90 9.342 -0.192 2.667 1.00 0.43 H new ATOM 3125 N SER B 91 7.885 1.581 5.247 1.00 0.28 N ATOM 3126 CA SER B 91 6.770 1.115 6.051 1.00 0.27 C ATOM 3127 C SER B 91 6.158 -0.114 5.386 1.00 0.23 C ATOM 3128 O SER B 91 5.314 0.002 4.497 1.00 0.28 O ATOM 3129 CB SER B 91 5.730 2.227 6.204 1.00 0.36 C ATOM 3130 OG SER B 91 6.342 3.427 6.649 1.00 0.97 O ATOM 0 H SER B 91 7.629 2.253 4.523 1.00 0.28 H new ATOM 0 HA SER B 91 7.120 0.844 7.047 1.00 0.27 H new ATOM 0 HB2 SER B 91 5.231 2.399 5.250 1.00 0.36 H new ATOM 0 HB3 SER B 91 4.963 1.919 6.914 1.00 0.36 H new ATOM 0 HG SER B 91 6.553 3.352 7.603 1.00 0.97 H new ATOM 3136 N SER B 92 6.616 -1.286 5.797 1.00 0.23 N ATOM 3137 CA SER B 92 6.146 -2.541 5.229 1.00 0.28 C ATOM 3138 C SER B 92 4.828 -2.987 5.855 1.00 0.26 C ATOM 3139 O SER B 92 4.673 -2.965 7.073 1.00 0.36 O ATOM 3140 CB SER B 92 7.207 -3.622 5.430 1.00 0.36 C ATOM 3141 OG SER B 92 8.489 -3.149 5.050 1.00 1.27 O ATOM 0 H SER B 92 7.319 -1.395 6.528 1.00 0.23 H new ATOM 0 HA SER B 92 5.971 -2.384 4.165 1.00 0.28 H new ATOM 0 HB2 SER B 92 7.224 -3.931 6.475 1.00 0.36 H new ATOM 0 HB3 SER B 92 6.951 -4.503 4.841 1.00 0.36 H new ATOM 0 HG SER B 92 8.759 -3.576 4.210 1.00 1.27 H new ATOM 3147 N PHE B 93 3.884 -3.374 5.012 1.00 0.25 N ATOM 3148 CA PHE B 93 2.586 -3.844 5.468 1.00 0.27 C ATOM 3149 C PHE B 93 2.336 -5.249 4.930 1.00 0.25 C ATOM 3150 O PHE B 93 2.426 -5.484 3.722 1.00 0.25 O ATOM 3151 CB PHE B 93 1.480 -2.895 4.995 1.00 0.33 C ATOM 3152 CG PHE B 93 0.292 -2.837 5.914 1.00 0.37 C ATOM 3153 CD1 PHE B 93 -0.524 -3.941 6.094 1.00 0.35 C ATOM 3154 CD2 PHE B 93 -0.008 -1.670 6.597 1.00 0.47 C ATOM 3155 CE1 PHE B 93 -1.615 -3.883 6.938 1.00 0.41 C ATOM 3156 CE2 PHE B 93 -1.098 -1.605 7.443 1.00 0.54 C ATOM 3157 CZ PHE B 93 -1.903 -2.713 7.614 1.00 0.50 C ATOM 0 H PHE B 93 3.995 -3.371 3.998 1.00 0.25 H new ATOM 0 HA PHE B 93 2.578 -3.868 6.558 1.00 0.27 H new ATOM 0 HB2 PHE B 93 1.895 -1.893 4.890 1.00 0.33 H new ATOM 0 HB3 PHE B 93 1.146 -3.207 4.005 1.00 0.33 H new ATOM 0 HD1 PHE B 93 -0.304 -4.858 5.568 1.00 0.35 H new ATOM 0 HD2 PHE B 93 0.618 -0.800 6.466 1.00 0.47 H new ATOM 0 HE1 PHE B 93 -2.243 -4.752 7.070 1.00 0.41 H new ATOM 0 HE2 PHE B 93 -1.320 -0.689 7.970 1.00 0.54 H new ATOM 0 HZ PHE B 93 -2.756 -2.666 8.275 1.00 0.50 H new ATOM 3167 N THR B 94 2.051 -6.181 5.826 1.00 0.30 N ATOM 3168 CA THR B 94 1.789 -7.555 5.435 1.00 0.31 C ATOM 3169 C THR B 94 0.383 -7.700 4.860 1.00 0.33 C ATOM 3170 O THR B 94 -0.594 -7.276 5.479 1.00 0.37 O ATOM 3171 CB THR B 94 1.944 -8.508 6.631 1.00 0.38 C ATOM 3172 OG1 THR B 94 2.232 -7.760 7.824 1.00 0.59 O ATOM 3173 CG2 THR B 94 3.053 -9.517 6.376 1.00 0.37 C ATOM 0 H THR B 94 1.995 -6.009 6.830 1.00 0.30 H new ATOM 0 HA THR B 94 2.519 -7.819 4.670 1.00 0.31 H new ATOM 0 HB THR B 94 1.006 -9.048 6.762 1.00 0.38 H new ATOM 0 HG1 THR B 94 2.887 -8.248 8.366 1.00 0.59 H new ATOM 0 HG21 THR B 94 3.145 -10.181 7.235 1.00 0.37 H new ATOM 0 HG22 THR B 94 2.815 -10.103 5.488 1.00 0.37 H new ATOM 0 HG23 THR B 94 3.995 -8.991 6.221 1.00 0.37 H new ATOM 3181 N PHE B 95 0.287 -8.284 3.673 1.00 0.35 N ATOM 3182 CA PHE B 95 -1.000 -8.485 3.024 1.00 0.41 C ATOM 3183 C PHE B 95 -1.342 -9.967 2.957 1.00 0.45 C ATOM 3184 O PHE B 95 -0.800 -10.708 2.130 1.00 0.49 O ATOM 3185 CB PHE B 95 -0.994 -7.885 1.616 1.00 0.48 C ATOM 3186 CG PHE B 95 -1.290 -6.412 1.587 1.00 0.56 C ATOM 3187 CD1 PHE B 95 -0.506 -5.517 2.298 1.00 0.95 C ATOM 3188 CD2 PHE B 95 -2.357 -5.924 0.852 1.00 0.91 C ATOM 3189 CE1 PHE B 95 -0.780 -4.166 2.277 1.00 1.03 C ATOM 3190 CE2 PHE B 95 -2.637 -4.573 0.828 1.00 0.98 C ATOM 3191 CZ PHE B 95 -1.847 -3.694 1.542 1.00 0.78 C ATOM 0 H PHE B 95 1.086 -8.627 3.140 1.00 0.35 H new ATOM 0 HA PHE B 95 -1.760 -7.977 3.617 1.00 0.41 H new ATOM 0 HB2 PHE B 95 -0.020 -8.060 1.160 1.00 0.48 H new ATOM 0 HB3 PHE B 95 -1.730 -8.407 1.005 1.00 0.48 H new ATOM 0 HD1 PHE B 95 0.330 -5.883 2.876 1.00 0.95 H new ATOM 0 HD2 PHE B 95 -2.977 -6.608 0.291 1.00 0.91 H new ATOM 0 HE1 PHE B 95 -0.161 -3.479 2.835 1.00 1.03 H new ATOM 0 HE2 PHE B 95 -3.473 -4.204 0.252 1.00 0.98 H new ATOM 0 HZ PHE B 95 -2.065 -2.636 1.525 1.00 0.78 H new ATOM 3201 N GLN B 96 -2.218 -10.398 3.849 1.00 0.51 N ATOM 3202 CA GLN B 96 -2.639 -11.787 3.896 1.00 0.56 C ATOM 3203 C GLN B 96 -4.092 -11.918 3.472 1.00 0.63 C ATOM 3204 O GLN B 96 -4.867 -10.966 3.568 1.00 0.71 O ATOM 3205 CB GLN B 96 -2.475 -12.358 5.304 1.00 0.60 C ATOM 3206 CG GLN B 96 -1.034 -12.466 5.768 1.00 0.74 C ATOM 3207 CD GLN B 96 -0.792 -11.727 7.067 1.00 0.88 C ATOM 3208 OE1 GLN B 96 -0.270 -10.612 7.080 1.00 1.41 O ATOM 3209 NE2 GLN B 96 -1.191 -12.333 8.169 1.00 0.91 N ATOM 0 H GLN B 96 -2.653 -9.802 4.553 1.00 0.51 H new ATOM 0 HA GLN B 96 -2.007 -12.348 3.207 1.00 0.56 H new ATOM 0 HB2 GLN B 96 -3.024 -11.730 6.005 1.00 0.60 H new ATOM 0 HB3 GLN B 96 -2.931 -13.347 5.338 1.00 0.60 H new ATOM 0 HG2 GLN B 96 -0.774 -13.517 5.896 1.00 0.74 H new ATOM 0 HG3 GLN B 96 -0.375 -12.066 4.997 1.00 0.74 H new ATOM 0 HE21 GLN B 96 -1.619 -13.257 8.116 1.00 0.91 H new ATOM 0 HE22 GLN B 96 -1.071 -11.877 9.074 1.00 0.91 H new ATOM 3218 N ASN B 97 -4.451 -13.095 2.996 1.00 0.73 N ATOM 3219 CA ASN B 97 -5.810 -13.366 2.570 1.00 0.91 C ATOM 3220 C ASN B 97 -6.689 -13.655 3.779 1.00 0.97 C ATOM 3221 O ASN B 97 -6.264 -14.336 4.714 1.00 0.97 O ATOM 3222 CB ASN B 97 -5.832 -14.540 1.594 1.00 1.06 C ATOM 3223 CG ASN B 97 -5.968 -14.079 0.162 1.00 1.43 C ATOM 3224 OD1 ASN B 97 -6.653 -13.099 -0.118 1.00 1.94 O ATOM 3225 ND2 ASN B 97 -5.319 -14.778 -0.754 1.00 1.65 N ATOM 0 H ASN B 97 -3.814 -13.885 2.894 1.00 0.73 H new ATOM 0 HA ASN B 97 -6.204 -12.487 2.059 1.00 0.91 H new ATOM 0 HB2 ASN B 97 -4.916 -15.120 1.703 1.00 1.06 H new ATOM 0 HB3 ASN B 97 -6.661 -15.203 1.842 1.00 1.06 H new ATOM 0 HD21 ASN B 97 -5.377 -14.509 -1.736 1.00 1.65 H new ATOM 0 HD22 ASN B 97 -4.761 -15.586 -0.478 1.00 1.65 H new ATOM 3232 N PRO B 98 -7.927 -13.140 3.779 1.00 1.12 N ATOM 3233 CA PRO B 98 -8.863 -13.323 4.890 1.00 1.28 C ATOM 3234 C PRO B 98 -9.595 -14.663 4.853 1.00 1.35 C ATOM 3235 O PRO B 98 -10.788 -14.735 5.153 1.00 1.41 O ATOM 3236 CB PRO B 98 -9.844 -12.172 4.681 1.00 1.50 C ATOM 3237 CG PRO B 98 -9.891 -11.990 3.203 1.00 1.51 C ATOM 3238 CD PRO B 98 -8.514 -12.327 2.694 1.00 1.26 C ATOM 0 HA PRO B 98 -8.357 -13.325 5.855 1.00 1.28 H new ATOM 0 HB2 PRO B 98 -10.828 -12.411 5.084 1.00 1.50 H new ATOM 0 HB3 PRO B 98 -9.506 -11.265 5.183 1.00 1.50 H new ATOM 0 HG2 PRO B 98 -10.642 -12.641 2.754 1.00 1.51 H new ATOM 0 HG3 PRO B 98 -10.161 -10.966 2.945 1.00 1.51 H new ATOM 0 HD2 PRO B 98 -8.559 -12.882 1.757 1.00 1.26 H new ATOM 0 HD3 PRO B 98 -7.927 -11.429 2.504 1.00 1.26 H new ATOM 3246 N TYR B 99 -8.887 -15.725 4.493 1.00 1.39 N ATOM 3247 CA TYR B 99 -9.491 -17.048 4.428 1.00 1.52 C ATOM 3248 C TYR B 99 -8.779 -17.998 5.381 1.00 1.54 C ATOM 3249 O TYR B 99 -9.379 -18.528 6.316 1.00 1.80 O ATOM 3250 CB TYR B 99 -9.445 -17.601 2.998 1.00 1.68 C ATOM 3251 CG TYR B 99 -9.799 -16.581 1.936 1.00 1.87 C ATOM 3252 CD1 TYR B 99 -11.038 -15.951 1.929 1.00 2.26 C ATOM 3253 CD2 TYR B 99 -8.886 -16.240 0.949 1.00 1.83 C ATOM 3254 CE1 TYR B 99 -11.354 -15.012 0.965 1.00 2.61 C ATOM 3255 CE2 TYR B 99 -9.194 -15.302 -0.015 1.00 2.10 C ATOM 3256 CZ TYR B 99 -10.427 -14.691 -0.004 1.00 2.50 C ATOM 3257 OH TYR B 99 -10.730 -13.750 -0.962 1.00 2.90 O ATOM 0 H TYR B 99 -7.899 -15.697 4.243 1.00 1.39 H new ATOM 0 HA TYR B 99 -10.535 -16.961 4.727 1.00 1.52 H new ATOM 0 HB2 TYR B 99 -8.445 -17.986 2.799 1.00 1.68 H new ATOM 0 HB3 TYR B 99 -10.132 -18.444 2.922 1.00 1.68 H new ATOM 0 HD1 TYR B 99 -11.765 -16.199 2.688 1.00 2.26 H new ATOM 0 HD2 TYR B 99 -7.917 -16.717 0.935 1.00 1.83 H new ATOM 0 HE1 TYR B 99 -12.322 -14.532 0.971 1.00 2.61 H new ATOM 0 HE2 TYR B 99 -8.470 -15.048 -0.775 1.00 2.10 H new ATOM 0 HH TYR B 99 -9.925 -13.541 -1.481 1.00 2.90 H new ATOM 3267 N SER B 100 -7.492 -18.199 5.150 1.00 1.37 N ATOM 3268 CA SER B 100 -6.693 -19.082 5.982 1.00 1.42 C ATOM 3269 C SER B 100 -5.332 -18.456 6.274 1.00 1.24 C ATOM 3270 O SER B 100 -4.346 -19.162 6.493 1.00 1.29 O ATOM 3271 CB SER B 100 -6.522 -20.433 5.286 1.00 1.52 C ATOM 3272 OG SER B 100 -7.779 -20.953 4.880 1.00 2.27 O ATOM 0 H SER B 100 -6.976 -17.759 4.388 1.00 1.37 H new ATOM 0 HA SER B 100 -7.207 -19.235 6.931 1.00 1.42 H new ATOM 0 HB2 SER B 100 -5.872 -20.320 4.418 1.00 1.52 H new ATOM 0 HB3 SER B 100 -6.033 -21.136 5.961 1.00 1.52 H new ATOM 0 HG SER B 100 -7.648 -21.817 4.436 1.00 2.27 H new ATOM 3278 N ASP B 101 -5.296 -17.123 6.267 1.00 1.08 N ATOM 3279 CA ASP B 101 -4.075 -16.361 6.535 1.00 0.96 C ATOM 3280 C ASP B 101 -3.006 -16.642 5.478 1.00 0.87 C ATOM 3281 O ASP B 101 -1.830 -16.823 5.786 1.00 0.91 O ATOM 3282 CB ASP B 101 -3.543 -16.671 7.944 1.00 1.15 C ATOM 3283 CG ASP B 101 -2.432 -15.733 8.376 1.00 1.33 C ATOM 3284 OD1 ASP B 101 -2.687 -14.518 8.502 1.00 1.27 O ATOM 3285 OD2 ASP B 101 -1.301 -16.212 8.609 1.00 2.06 O ATOM 0 H ASP B 101 -6.112 -16.541 6.076 1.00 1.08 H new ATOM 0 HA ASP B 101 -4.322 -15.300 6.486 1.00 0.96 H new ATOM 0 HB2 ASP B 101 -4.364 -16.607 8.659 1.00 1.15 H new ATOM 0 HB3 ASP B 101 -3.176 -17.697 7.971 1.00 1.15 H new ATOM 3290 N GLU B 102 -3.422 -16.693 4.223 1.00 0.88 N ATOM 3291 CA GLU B 102 -2.492 -16.937 3.133 1.00 0.85 C ATOM 3292 C GLU B 102 -1.772 -15.646 2.770 1.00 0.72 C ATOM 3293 O GLU B 102 -2.393 -14.694 2.297 1.00 0.72 O ATOM 3294 CB GLU B 102 -3.220 -17.491 1.906 1.00 1.03 C ATOM 3295 CG GLU B 102 -4.276 -18.529 2.237 1.00 1.30 C ATOM 3296 CD GLU B 102 -5.665 -17.936 2.311 1.00 1.72 C ATOM 3297 OE1 GLU B 102 -5.951 -17.196 3.274 1.00 1.82 O ATOM 3298 OE2 GLU B 102 -6.475 -18.207 1.406 1.00 2.51 O ATOM 0 H GLU B 102 -4.393 -16.569 3.935 1.00 0.88 H new ATOM 0 HA GLU B 102 -1.764 -17.678 3.462 1.00 0.85 H new ATOM 0 HB2 GLU B 102 -3.690 -16.666 1.371 1.00 1.03 H new ATOM 0 HB3 GLU B 102 -2.488 -17.934 1.230 1.00 1.03 H new ATOM 0 HG2 GLU B 102 -4.259 -19.314 1.481 1.00 1.30 H new ATOM 0 HG3 GLU B 102 -4.033 -18.999 3.190 1.00 1.30 H new ATOM 3305 N ILE B 103 -0.470 -15.609 3.001 1.00 0.68 N ATOM 3306 CA ILE B 103 0.321 -14.425 2.703 1.00 0.59 C ATOM 3307 C ILE B 103 0.449 -14.230 1.199 1.00 0.61 C ATOM 3308 O ILE B 103 1.067 -15.041 0.511 1.00 0.74 O ATOM 3309 CB ILE B 103 1.731 -14.518 3.325 1.00 0.62 C ATOM 3310 CG1 ILE B 103 1.632 -14.832 4.819 1.00 0.67 C ATOM 3311 CG2 ILE B 103 2.498 -13.222 3.102 1.00 0.56 C ATOM 3312 CD1 ILE B 103 2.954 -15.215 5.448 1.00 0.99 C ATOM 0 H ILE B 103 0.062 -16.385 3.394 1.00 0.68 H new ATOM 0 HA ILE B 103 -0.198 -13.571 3.138 1.00 0.59 H new ATOM 0 HB ILE B 103 2.274 -15.327 2.836 1.00 0.62 H new ATOM 0 HG12 ILE B 103 1.231 -13.962 5.339 1.00 0.67 H new ATOM 0 HG13 ILE B 103 0.921 -15.646 4.964 1.00 0.67 H new ATOM 0 HG21 ILE B 103 3.490 -13.305 3.547 1.00 0.56 H new ATOM 0 HG22 ILE B 103 2.594 -13.036 2.032 1.00 0.56 H new ATOM 0 HG23 ILE B 103 1.960 -12.396 3.567 1.00 0.56 H new ATOM 0 HD11 ILE B 103 2.806 -15.423 6.508 1.00 0.99 H new ATOM 0 HD12 ILE B 103 3.348 -16.104 4.955 1.00 0.99 H new ATOM 0 HD13 ILE B 103 3.662 -14.394 5.335 1.00 0.99 H new ATOM 3324 N GLU B 104 -0.155 -13.166 0.690 1.00 0.54 N ATOM 3325 CA GLU B 104 -0.098 -12.874 -0.732 1.00 0.59 C ATOM 3326 C GLU B 104 1.206 -12.164 -1.069 1.00 0.51 C ATOM 3327 O GLU B 104 1.958 -12.608 -1.936 1.00 0.56 O ATOM 3328 CB GLU B 104 -1.297 -12.020 -1.160 1.00 0.69 C ATOM 3329 CG GLU B 104 -2.629 -12.747 -1.065 1.00 0.85 C ATOM 3330 CD GLU B 104 -3.678 -12.166 -1.992 1.00 1.06 C ATOM 3331 OE1 GLU B 104 -4.081 -11.005 -1.791 1.00 1.44 O ATOM 3332 OE2 GLU B 104 -4.093 -12.863 -2.943 1.00 1.33 O ATOM 0 H GLU B 104 -0.689 -12.493 1.240 1.00 0.54 H new ATOM 0 HA GLU B 104 -0.138 -13.816 -1.280 1.00 0.59 H new ATOM 0 HB2 GLU B 104 -1.336 -11.126 -0.538 1.00 0.69 H new ATOM 0 HB3 GLU B 104 -1.147 -11.687 -2.187 1.00 0.69 H new ATOM 0 HG2 GLU B 104 -2.482 -13.800 -1.304 1.00 0.85 H new ATOM 0 HG3 GLU B 104 -2.991 -12.701 -0.038 1.00 0.85 H new ATOM 3339 N TYR B 105 1.476 -11.068 -0.366 1.00 0.42 N ATOM 3340 CA TYR B 105 2.690 -10.291 -0.586 1.00 0.40 C ATOM 3341 C TYR B 105 2.864 -9.238 0.501 1.00 0.33 C ATOM 3342 O TYR B 105 1.998 -9.063 1.358 1.00 0.37 O ATOM 3343 CB TYR B 105 2.673 -9.615 -1.968 1.00 0.46 C ATOM 3344 CG TYR B 105 1.388 -8.880 -2.294 1.00 0.47 C ATOM 3345 CD1 TYR B 105 1.165 -7.585 -1.838 1.00 0.45 C ATOM 3346 CD2 TYR B 105 0.398 -9.481 -3.063 1.00 0.59 C ATOM 3347 CE1 TYR B 105 -0.004 -6.914 -2.141 1.00 0.55 C ATOM 3348 CE2 TYR B 105 -0.773 -8.816 -3.367 1.00 0.67 C ATOM 3349 CZ TYR B 105 -0.969 -7.534 -2.903 1.00 0.65 C ATOM 3350 OH TYR B 105 -2.131 -6.865 -3.205 1.00 0.77 O ATOM 0 H TYR B 105 0.867 -10.697 0.364 1.00 0.42 H new ATOM 0 HA TYR B 105 3.533 -10.981 -0.547 1.00 0.40 H new ATOM 0 HB2 TYR B 105 3.503 -8.911 -2.024 1.00 0.46 H new ATOM 0 HB3 TYR B 105 2.846 -10.374 -2.731 1.00 0.46 H new ATOM 0 HD1 TYR B 105 1.918 -7.096 -1.237 1.00 0.45 H new ATOM 0 HD2 TYR B 105 0.548 -10.486 -3.429 1.00 0.59 H new ATOM 0 HE1 TYR B 105 -0.160 -5.908 -1.782 1.00 0.55 H new ATOM 0 HE2 TYR B 105 -1.532 -9.298 -3.966 1.00 0.67 H new ATOM 0 HH TYR B 105 -2.858 -7.201 -2.641 1.00 0.77 H new ATOM 3360 N ILE B 106 3.991 -8.547 0.459 1.00 0.26 N ATOM 3361 CA ILE B 106 4.295 -7.502 1.422 1.00 0.25 C ATOM 3362 C ILE B 106 4.453 -6.166 0.706 1.00 0.26 C ATOM 3363 O ILE B 106 5.304 -6.024 -0.178 1.00 0.28 O ATOM 3364 CB ILE B 106 5.591 -7.809 2.208 1.00 0.26 C ATOM 3365 CG1 ILE B 106 5.472 -9.156 2.930 1.00 0.31 C ATOM 3366 CG2 ILE B 106 5.892 -6.693 3.204 1.00 0.30 C ATOM 3367 CD1 ILE B 106 6.773 -9.641 3.534 1.00 0.36 C ATOM 0 H ILE B 106 4.718 -8.694 -0.241 1.00 0.26 H new ATOM 0 HA ILE B 106 3.466 -7.456 2.128 1.00 0.25 H new ATOM 0 HB ILE B 106 6.418 -7.868 1.500 1.00 0.26 H new ATOM 0 HG12 ILE B 106 4.725 -9.070 3.719 1.00 0.31 H new ATOM 0 HG13 ILE B 106 5.107 -9.904 2.226 1.00 0.31 H new ATOM 0 HG21 ILE B 106 6.807 -6.927 3.747 1.00 0.30 H new ATOM 0 HG22 ILE B 106 6.018 -5.752 2.669 1.00 0.30 H new ATOM 0 HG23 ILE B 106 5.065 -6.601 3.909 1.00 0.30 H new ATOM 0 HD11 ILE B 106 6.610 -10.599 4.028 1.00 0.36 H new ATOM 0 HD12 ILE B 106 7.517 -9.760 2.747 1.00 0.36 H new ATOM 0 HD13 ILE B 106 7.129 -8.913 4.263 1.00 0.36 H new ATOM 3379 N ILE B 107 3.627 -5.199 1.072 1.00 0.29 N ATOM 3380 CA ILE B 107 3.690 -3.881 0.468 1.00 0.34 C ATOM 3381 C ILE B 107 4.574 -2.969 1.305 1.00 0.40 C ATOM 3382 O ILE B 107 4.240 -2.624 2.437 1.00 0.52 O ATOM 3383 CB ILE B 107 2.287 -3.252 0.303 1.00 0.44 C ATOM 3384 CG1 ILE B 107 1.527 -3.960 -0.825 1.00 0.46 C ATOM 3385 CG2 ILE B 107 2.390 -1.756 0.026 1.00 0.53 C ATOM 3386 CD1 ILE B 107 0.245 -3.266 -1.240 1.00 0.79 C ATOM 0 H ILE B 107 2.905 -5.304 1.785 1.00 0.29 H new ATOM 0 HA ILE B 107 4.118 -3.995 -0.528 1.00 0.34 H new ATOM 0 HB ILE B 107 1.736 -3.381 1.235 1.00 0.44 H new ATOM 0 HG12 ILE B 107 2.181 -4.041 -1.693 1.00 0.46 H new ATOM 0 HG13 ILE B 107 1.291 -4.976 -0.508 1.00 0.46 H new ATOM 0 HG21 ILE B 107 1.390 -1.337 -0.086 1.00 0.53 H new ATOM 0 HG22 ILE B 107 2.898 -1.266 0.857 1.00 0.53 H new ATOM 0 HG23 ILE B 107 2.956 -1.594 -0.891 1.00 0.53 H new ATOM 0 HD11 ILE B 107 -0.231 -3.830 -2.042 1.00 0.79 H new ATOM 0 HD12 ILE B 107 -0.430 -3.208 -0.386 1.00 0.79 H new ATOM 0 HD13 ILE B 107 0.473 -2.260 -1.591 1.00 0.79 H new ATOM 3398 N CYS B 108 5.715 -2.606 0.754 1.00 0.39 N ATOM 3399 CA CYS B 108 6.650 -1.746 1.449 1.00 0.47 C ATOM 3400 C CYS B 108 6.516 -0.303 0.989 1.00 0.37 C ATOM 3401 O CYS B 108 6.765 0.017 -0.173 1.00 0.43 O ATOM 3402 CB CYS B 108 8.077 -2.240 1.223 1.00 0.61 C ATOM 3403 SG CYS B 108 8.466 -3.773 2.099 1.00 1.55 S ATOM 0 H CYS B 108 6.017 -2.895 -0.176 1.00 0.39 H new ATOM 0 HA CYS B 108 6.420 -1.782 2.514 1.00 0.47 H new ATOM 0 HB2 CYS B 108 8.234 -2.393 0.155 1.00 0.61 H new ATOM 0 HB3 CYS B 108 8.774 -1.465 1.540 1.00 0.61 H new ATOM 0 HG CYS B 108 8.940 -4.645 1.259 1.00 1.55 H new ATOM 3409 N THR B 109 6.090 0.555 1.897 1.00 0.32 N ATOM 3410 CA THR B 109 5.943 1.968 1.605 1.00 0.29 C ATOM 3411 C THR B 109 7.298 2.655 1.752 1.00 0.26 C ATOM 3412 O THR B 109 7.640 3.164 2.820 1.00 0.27 O ATOM 3413 CB THR B 109 4.914 2.620 2.549 1.00 0.39 C ATOM 3414 OG1 THR B 109 3.854 1.692 2.820 1.00 0.48 O ATOM 3415 CG2 THR B 109 4.336 3.889 1.939 1.00 0.49 C ATOM 0 H THR B 109 5.838 0.295 2.850 1.00 0.32 H new ATOM 0 HA THR B 109 5.582 2.082 0.583 1.00 0.29 H new ATOM 0 HB THR B 109 5.421 2.886 3.476 1.00 0.39 H new ATOM 0 HG1 THR B 109 4.151 1.043 3.492 1.00 0.48 H new ATOM 0 HG21 THR B 109 3.613 4.327 2.627 1.00 0.49 H new ATOM 0 HG22 THR B 109 5.139 4.602 1.754 1.00 0.49 H new ATOM 0 HG23 THR B 109 3.841 3.648 0.998 1.00 0.49 H new ATOM 3423 N ASN B 110 8.079 2.630 0.680 1.00 0.35 N ATOM 3424 CA ASN B 110 9.410 3.222 0.681 1.00 0.40 C ATOM 3425 C ASN B 110 9.338 4.739 0.617 1.00 0.45 C ATOM 3426 O ASN B 110 9.081 5.312 -0.439 1.00 0.57 O ATOM 3427 CB ASN B 110 10.231 2.693 -0.499 1.00 0.53 C ATOM 3428 CG ASN B 110 10.828 1.321 -0.245 1.00 1.18 C ATOM 3429 OD1 ASN B 110 10.264 0.505 0.482 1.00 1.84 O ATOM 3430 ND2 ASN B 110 11.980 1.057 -0.843 1.00 1.84 N ATOM 0 H ASN B 110 7.811 2.203 -0.207 1.00 0.35 H new ATOM 0 HA ASN B 110 9.898 2.939 1.614 1.00 0.40 H new ATOM 0 HB2 ASN B 110 9.596 2.648 -1.384 1.00 0.53 H new ATOM 0 HB3 ASN B 110 11.034 3.396 -0.719 1.00 0.53 H new ATOM 0 HD21 ASN B 110 12.429 0.151 -0.707 1.00 1.84 H new ATOM 0 HD22 ASN B 110 12.418 1.759 -1.439 1.00 1.84 H new ATOM 3437 N THR B 111 9.552 5.381 1.755 1.00 0.39 N ATOM 3438 CA THR B 111 9.525 6.832 1.834 1.00 0.41 C ATOM 3439 C THR B 111 10.921 7.377 2.129 1.00 0.38 C ATOM 3440 O THR B 111 11.475 7.133 3.201 1.00 0.43 O ATOM 3441 CB THR B 111 8.555 7.298 2.933 1.00 0.45 C ATOM 3442 OG1 THR B 111 7.569 6.281 3.164 1.00 0.50 O ATOM 3443 CG2 THR B 111 7.871 8.597 2.539 1.00 0.52 C ATOM 0 H THR B 111 9.747 4.916 2.641 1.00 0.39 H new ATOM 0 HA THR B 111 9.184 7.214 0.872 1.00 0.41 H new ATOM 0 HB THR B 111 9.124 7.474 3.846 1.00 0.45 H new ATOM 0 HG1 THR B 111 7.971 5.544 3.669 1.00 0.50 H new ATOM 0 HG21 THR B 111 7.190 8.905 3.333 1.00 0.52 H new ATOM 0 HG22 THR B 111 8.622 9.371 2.384 1.00 0.52 H new ATOM 0 HG23 THR B 111 7.309 8.447 1.617 1.00 0.52 H new ATOM 3451 N ASN B 112 11.491 8.101 1.176 1.00 0.36 N ATOM 3452 CA ASN B 112 12.824 8.667 1.352 1.00 0.36 C ATOM 3453 C ASN B 112 12.765 9.904 2.242 1.00 0.34 C ATOM 3454 O ASN B 112 11.882 10.748 2.086 1.00 0.37 O ATOM 3455 CB ASN B 112 13.446 9.027 -0.001 1.00 0.45 C ATOM 3456 CG ASN B 112 14.797 9.707 0.147 1.00 0.39 C ATOM 3457 OD1 ASN B 112 15.580 9.375 1.035 1.00 0.71 O ATOM 3458 ND2 ASN B 112 15.077 10.669 -0.716 1.00 0.42 N ATOM 0 H ASN B 112 11.056 8.310 0.278 1.00 0.36 H new ATOM 0 HA ASN B 112 13.449 7.914 1.833 1.00 0.36 H new ATOM 0 HB2 ASN B 112 13.561 8.122 -0.598 1.00 0.45 H new ATOM 0 HB3 ASN B 112 12.769 9.684 -0.546 1.00 0.45 H new ATOM 0 HD21 ASN B 112 15.968 11.163 -0.658 1.00 0.42 H new ATOM 0 HD22 ASN B 112 14.402 10.917 -1.440 1.00 0.42 H new ATOM 3465 N VAL B 113 13.702 10.004 3.175 1.00 0.36 N ATOM 3466 CA VAL B 113 13.748 11.138 4.090 1.00 0.44 C ATOM 3467 C VAL B 113 14.948 12.034 3.778 1.00 0.50 C ATOM 3468 O VAL B 113 15.140 13.079 4.399 1.00 0.78 O ATOM 3469 CB VAL B 113 13.815 10.681 5.567 1.00 0.52 C ATOM 3470 CG1 VAL B 113 13.291 11.768 6.493 1.00 0.98 C ATOM 3471 CG2 VAL B 113 13.036 9.388 5.772 1.00 0.83 C ATOM 0 H VAL B 113 14.440 9.315 3.319 1.00 0.36 H new ATOM 0 HA VAL B 113 12.826 11.702 3.948 1.00 0.44 H new ATOM 0 HB VAL B 113 14.860 10.494 5.812 1.00 0.52 H new ATOM 0 HG11 VAL B 113 13.348 11.425 7.526 1.00 0.98 H new ATOM 0 HG12 VAL B 113 13.895 12.668 6.376 1.00 0.98 H new ATOM 0 HG13 VAL B 113 12.254 11.992 6.241 1.00 0.98 H new ATOM 0 HG21 VAL B 113 13.098 9.088 6.818 1.00 0.83 H new ATOM 0 HG22 VAL B 113 11.992 9.545 5.501 1.00 0.83 H new ATOM 0 HG23 VAL B 113 13.460 8.605 5.144 1.00 0.83 H new ATOM 3481 N LYS B 114 15.753 11.624 2.807 1.00 0.66 N ATOM 3482 CA LYS B 114 16.927 12.392 2.412 1.00 0.80 C ATOM 3483 C LYS B 114 16.668 13.119 1.101 1.00 0.96 C ATOM 3484 O LYS B 114 16.983 12.556 0.032 1.00 1.54 O ATOM 3485 CB LYS B 114 18.145 11.478 2.270 1.00 1.37 C ATOM 3486 CG LYS B 114 18.558 10.812 3.570 1.00 1.56 C ATOM 3487 CD LYS B 114 19.764 11.493 4.201 1.00 2.38 C ATOM 3488 CE LYS B 114 19.399 12.827 4.831 1.00 2.81 C ATOM 3489 NZ LYS B 114 20.546 13.411 5.575 1.00 3.21 N ATOM 3490 OXT LYS B 114 16.133 14.243 1.142 1.00 0.67 O ATOM 0 H LYS B 114 15.615 10.763 2.278 1.00 0.66 H new ATOM 0 HA LYS B 114 17.131 13.128 3.190 1.00 0.80 H new ATOM 0 HB2 LYS B 114 17.927 10.708 1.530 1.00 1.37 H new ATOM 0 HB3 LYS B 114 18.983 12.060 1.887 1.00 1.37 H new ATOM 0 HG2 LYS B 114 17.722 10.833 4.270 1.00 1.56 H new ATOM 0 HG3 LYS B 114 18.790 9.764 3.383 1.00 1.56 H new ATOM 0 HD2 LYS B 114 20.194 10.839 4.960 1.00 2.38 H new ATOM 0 HD3 LYS B 114 20.531 11.648 3.442 1.00 2.38 H new ATOM 0 HE2 LYS B 114 19.076 13.521 4.055 1.00 2.81 H new ATOM 0 HE3 LYS B 114 18.556 12.692 5.508 1.00 2.81 H new ATOM 0 HZ1 LYS B 114 20.262 14.321 5.992 1.00 3.21 H new ATOM 0 HZ2 LYS B 114 20.837 12.759 6.331 1.00 3.21 H new ATOM 0 HZ3 LYS B 114 21.342 13.562 4.923 1.00 3.21 H new