USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1012 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 HIS : no HE2:sc= -7.31! C(o=-11!,f=-20!) USER MOD Set 1.2: A 120 CYS SG : rot -120:sc= -1.33! USER MOD Set 1.3: A 122 CYS SG : rot -74:sc= -0.0268 USER MOD Set 1.4: A 127 CYS SG : rot 140:sc= -2.07 USER MOD Set 2.1: A 75 SER OG : rot 119:sc= 0.75 USER MOD Set 2.2: A 110 ASN :FLIP amide:sc= -0.451 F(o=-1.2,f=0.3) USER MOD Set 3.1: A 56 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 60 GLN : amide:sc= 0 X(o=0,f=0.21) USER MOD Set 4.1: A 50 SER OG : rot 61:sc= 2.06 USER MOD Set 4.2: A 54 LYS NZ :NH3+ -143:sc= 0.947 (180deg=-0.419) USER MOD Set 5.1: A 23 ASN : amide:sc= -4.02! C(o=-3.1!,f=-6.7!) USER MOD Set 5.2: A 67 THR OG1 : rot 137:sc= 0.922 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.0902 (180deg=-0.149) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -120:sc= -0.243 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.655 K(o=-0.65,f=-1.7!) USER MOD Single : A 19 HIS : no HD1:sc= -2.01 K(o=-2,f=-2.6) USER MOD Single : A 35 ASN : amide:sc= 0.0783 X(o=0.078,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 63:sc= -1.33 USER MOD Single : A 45 HIS : no HE2:sc= -3.62 K(o=-3.6,f=-4.2!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 170:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.0172 X(o=-0.017,f=-0.22) USER MOD Single : A 61 ASN :FLIP amide:sc= -0.926 F(o=-5!,f=-0.93) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 149:sc= -0.199 (180deg=-1.16!) USER MOD Single : A 71 HIS : no HD1:sc= -12.3! C(o=-12!,f=-14!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.95 X(o=-2,f=-1.5) USER MOD Single : A 81 THR OG1 : rot -170:sc= -0.463 USER MOD Single : A 82 CYS SG : rot 40:sc= -2.8 USER MOD Single : A 88 ASN : amide:sc= -3.88 K(o=-3.9,f=-6.7!) USER MOD Single : A 89 TYR OH : rot 75:sc= -6.68! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 141:sc= -0.0219 (180deg=-0.251) USER MOD Single : A 97 THR OG1 : rot 74:sc= 0.621 USER MOD Single : A 100 LYS NZ :NH3+ 158:sc= 0.326 (180deg=0.123) USER MOD Single : A 101 ASN : amide:sc= -0.817 X(o=-0.82,f=-0.48) USER MOD Single : A 103 MET CE :methyl -120:sc= -1.7 (180deg=-8.11!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -120:sc= -0.0658 (180deg=-0.875) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.892 21.880 8.010 1.00 0.00 N ATOM 2 CA MET A 1 6.140 22.009 7.213 1.00 0.00 C ATOM 3 C MET A 1 6.428 20.731 6.432 1.00 0.00 C ATOM 4 O MET A 1 5.776 19.708 6.636 1.00 0.00 O ATOM 5 CB MET A 1 7.295 22.318 8.167 1.00 0.00 C ATOM 6 CG MET A 1 7.249 23.725 8.742 1.00 0.00 C ATOM 7 SD MET A 1 7.747 23.783 10.475 1.00 0.00 S ATOM 8 CE MET A 1 6.235 24.358 11.244 1.00 0.00 C ATOM 0 H1 MET A 1 4.187 22.561 7.663 1.00 0.00 H new ATOM 0 H2 MET A 1 4.518 20.914 7.915 1.00 0.00 H new ATOM 0 H3 MET A 1 5.098 22.074 9.011 1.00 0.00 H new ATOM 0 HA MET A 1 6.024 22.816 6.490 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.281 21.599 8.986 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.238 22.181 7.639 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.902 24.374 8.158 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.238 24.120 8.645 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.384 24.445 12.320 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.967 25.332 10.835 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.433 23.648 11.045 1.00 0.00 H new ATOM 18 N ALA A 2 7.410 20.797 5.538 1.00 0.00 N ATOM 19 CA ALA A 2 7.780 19.642 4.730 1.00 0.00 C ATOM 20 C ALA A 2 9.023 19.927 3.891 1.00 0.00 C ATOM 21 O ALA A 2 9.317 21.078 3.567 1.00 0.00 O ATOM 22 CB ALA A 2 6.621 19.233 3.835 1.00 0.00 C ATOM 0 H ALA A 2 7.962 21.635 5.356 1.00 0.00 H new ATOM 0 HA ALA A 2 8.014 18.820 5.406 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.911 18.369 3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.759 18.976 4.451 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.361 20.061 3.175 1.00 0.00 H new ATOM 28 N MET A 3 9.746 18.867 3.543 1.00 0.00 N ATOM 29 CA MET A 3 10.958 18.991 2.740 1.00 0.00 C ATOM 30 C MET A 3 11.307 17.654 2.094 1.00 0.00 C ATOM 31 O MET A 3 11.363 16.626 2.769 1.00 0.00 O ATOM 32 CB MET A 3 12.123 19.477 3.603 1.00 0.00 C ATOM 33 CG MET A 3 12.198 18.803 4.964 1.00 0.00 C ATOM 34 SD MET A 3 13.295 19.664 6.106 1.00 0.00 S ATOM 35 CE MET A 3 12.561 19.223 7.678 1.00 0.00 C ATOM 0 H MET A 3 9.513 17.909 3.806 1.00 0.00 H new ATOM 0 HA MET A 3 10.776 19.723 1.954 1.00 0.00 H new ATOM 0 HB2 MET A 3 13.057 19.302 3.069 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.034 20.554 3.745 1.00 0.00 H new ATOM 0 HG2 MET A 3 11.198 18.752 5.395 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.544 17.777 4.838 1.00 0.00 H new ATOM 0 HE1 MET A 3 13.130 19.682 8.487 1.00 0.00 H new ATOM 0 HE2 MET A 3 11.531 19.579 7.711 1.00 0.00 H new ATOM 0 HE3 MET A 3 12.574 18.139 7.795 1.00 0.00 H new ATOM 45 N ALA A 4 11.532 17.671 0.783 1.00 0.00 N ATOM 46 CA ALA A 4 11.864 16.453 0.051 1.00 0.00 C ATOM 47 C ALA A 4 10.701 15.469 0.097 1.00 0.00 C ATOM 48 O ALA A 4 10.179 15.165 1.169 1.00 0.00 O ATOM 49 CB ALA A 4 13.125 15.816 0.619 1.00 0.00 C ATOM 0 H ALA A 4 11.491 18.512 0.208 1.00 0.00 H new ATOM 0 HA ALA A 4 12.051 16.717 -0.990 1.00 0.00 H new ATOM 0 HB1 ALA A 4 13.357 14.909 0.061 1.00 0.00 H new ATOM 0 HB2 ALA A 4 13.956 16.517 0.535 1.00 0.00 H new ATOM 0 HB3 ALA A 4 12.966 15.566 1.668 1.00 0.00 H new ATOM 55 N ARG A 5 10.285 14.981 -1.069 1.00 0.00 N ATOM 56 CA ARG A 5 9.169 14.045 -1.139 1.00 0.00 C ATOM 57 C ARG A 5 9.587 12.702 -1.739 1.00 0.00 C ATOM 58 O ARG A 5 9.187 12.352 -2.851 1.00 0.00 O ATOM 59 CB ARG A 5 8.017 14.655 -1.945 1.00 0.00 C ATOM 60 CG ARG A 5 6.745 14.847 -1.133 1.00 0.00 C ATOM 61 CD ARG A 5 6.831 16.078 -0.242 1.00 0.00 C ATOM 62 NE ARG A 5 5.777 16.097 0.770 1.00 0.00 N ATOM 63 CZ ARG A 5 5.840 15.431 1.922 1.00 0.00 C ATOM 64 NH1 ARG A 5 6.901 14.687 2.211 1.00 0.00 N ATOM 65 NH2 ARG A 5 4.838 15.507 2.787 1.00 0.00 N ATOM 0 H ARG A 5 10.700 15.216 -1.970 1.00 0.00 H new ATOM 0 HA ARG A 5 8.833 13.856 -0.120 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.333 15.619 -2.344 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.801 14.012 -2.798 1.00 0.00 H new ATOM 0 HG2 ARG A 5 5.893 14.943 -1.807 1.00 0.00 H new ATOM 0 HG3 ARG A 5 6.568 13.964 -0.519 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.804 16.103 0.248 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.760 16.976 -0.856 1.00 0.00 H new ATOM 0 HE ARG A 5 4.943 16.654 0.583 1.00 0.00 H new ATOM 0 HH11 ARG A 5 7.674 14.623 1.549 1.00 0.00 H new ATOM 0 HH12 ARG A 5 6.943 14.180 3.095 1.00 0.00 H new ATOM 0 HH21 ARG A 5 4.019 16.075 2.570 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.886 14.997 3.669 1.00 0.00 H new ATOM 79 N SER A 6 10.373 11.942 -0.983 1.00 0.00 N ATOM 80 CA SER A 6 10.823 10.624 -1.421 1.00 0.00 C ATOM 81 C SER A 6 10.033 9.550 -0.679 1.00 0.00 C ATOM 82 O SER A 6 9.066 8.999 -1.208 1.00 0.00 O ATOM 83 CB SER A 6 12.323 10.455 -1.167 1.00 0.00 C ATOM 84 OG SER A 6 13.086 11.052 -2.200 1.00 0.00 O ATOM 0 H SER A 6 10.713 12.217 -0.061 1.00 0.00 H new ATOM 0 HA SER A 6 10.650 10.524 -2.493 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.586 10.906 -0.210 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.566 9.395 -1.098 1.00 0.00 H new ATOM 0 HG SER A 6 14.040 10.932 -2.013 1.00 0.00 H new ATOM 90 N ILE A 7 10.424 9.290 0.563 1.00 0.00 N ATOM 91 CA ILE A 7 9.729 8.322 1.399 1.00 0.00 C ATOM 92 C ILE A 7 8.982 9.070 2.489 1.00 0.00 C ATOM 93 O ILE A 7 9.538 9.392 3.539 1.00 0.00 O ATOM 94 CB ILE A 7 10.695 7.298 2.018 1.00 0.00 C ATOM 95 CG1 ILE A 7 9.939 6.297 2.908 1.00 0.00 C ATOM 96 CG2 ILE A 7 11.811 7.998 2.787 1.00 0.00 C ATOM 97 CD1 ILE A 7 9.589 6.817 4.289 1.00 0.00 C ATOM 0 H ILE A 7 11.222 9.738 1.013 1.00 0.00 H new ATOM 0 HA ILE A 7 9.030 7.762 0.777 1.00 0.00 H new ATOM 0 HB ILE A 7 11.157 6.734 1.208 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.020 6.003 2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.545 5.397 3.016 1.00 0.00 H new ATOM 0 HG21 ILE A 7 12.481 7.252 3.215 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.371 8.642 2.109 1.00 0.00 H new ATOM 0 HG23 ILE A 7 11.380 8.600 3.587 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.058 6.044 4.845 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.503 7.083 4.820 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.954 7.698 4.196 1.00 0.00 H new ATOM 109 N SER A 8 7.729 9.386 2.205 1.00 0.00 N ATOM 110 CA SER A 8 6.908 10.151 3.139 1.00 0.00 C ATOM 111 C SER A 8 5.440 9.765 3.042 1.00 0.00 C ATOM 112 O SER A 8 5.039 9.028 2.154 1.00 0.00 O ATOM 113 CB SER A 8 7.070 11.650 2.881 1.00 0.00 C ATOM 114 OG SER A 8 6.719 11.979 1.548 1.00 0.00 O ATOM 0 H SER A 8 7.256 9.127 1.339 1.00 0.00 H new ATOM 0 HA SER A 8 7.251 9.917 4.147 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.444 12.211 3.574 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.102 11.946 3.072 1.00 0.00 H new ATOM 0 HG SER A 8 7.491 12.379 1.096 1.00 0.00 H new ATOM 120 N TYR A 9 4.641 10.268 3.963 1.00 0.00 N ATOM 121 CA TYR A 9 3.218 9.968 3.972 1.00 0.00 C ATOM 122 C TYR A 9 2.391 11.210 3.703 1.00 0.00 C ATOM 123 O TYR A 9 2.850 12.330 3.929 1.00 0.00 O ATOM 124 CB TYR A 9 2.808 9.337 5.288 1.00 0.00 C ATOM 125 CG TYR A 9 3.669 9.716 6.470 1.00 0.00 C ATOM 126 CD1 TYR A 9 4.998 9.318 6.564 1.00 0.00 C ATOM 127 CD2 TYR A 9 3.139 10.472 7.492 1.00 0.00 C ATOM 128 CE1 TYR A 9 5.770 9.671 7.656 1.00 0.00 C ATOM 129 CE2 TYR A 9 3.899 10.832 8.589 1.00 0.00 C ATOM 130 CZ TYR A 9 5.215 10.429 8.666 1.00 0.00 C ATOM 131 OH TYR A 9 5.978 10.785 9.755 1.00 0.00 O ATOM 0 H TYR A 9 4.950 10.885 4.714 1.00 0.00 H new ATOM 0 HA TYR A 9 3.028 9.254 3.170 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.777 9.617 5.503 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.827 8.253 5.176 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.433 8.725 5.773 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.108 10.790 7.435 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.801 9.355 7.718 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.465 11.425 9.380 1.00 0.00 H new ATOM 0 HH TYR A 9 5.437 11.319 10.373 1.00 0.00 H new ATOM 141 N ILE A 10 1.179 11.018 3.185 1.00 0.00 N ATOM 142 CA ILE A 10 0.332 12.164 2.862 1.00 0.00 C ATOM 143 C ILE A 10 -1.147 11.921 3.171 1.00 0.00 C ATOM 144 O ILE A 10 -1.592 10.781 3.304 1.00 0.00 O ATOM 145 CB ILE A 10 0.513 12.566 1.377 1.00 0.00 C ATOM 146 CG1 ILE A 10 0.632 14.084 1.251 1.00 0.00 C ATOM 147 CG2 ILE A 10 -0.625 12.041 0.508 1.00 0.00 C ATOM 148 CD1 ILE A 10 2.060 14.575 1.139 1.00 0.00 C ATOM 0 H ILE A 10 0.770 10.106 2.984 1.00 0.00 H new ATOM 0 HA ILE A 10 0.656 12.983 3.504 1.00 0.00 H new ATOM 0 HB ILE A 10 1.435 12.108 1.017 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.075 14.412 0.374 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.164 14.550 2.118 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.462 12.343 -0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.656 10.953 0.567 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.571 12.451 0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.065 15.662 1.053 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.617 14.279 2.028 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.527 14.139 0.256 1.00 0.00 H new ATOM 160 N THR A 11 -1.902 13.019 3.275 1.00 0.00 N ATOM 161 CA THR A 11 -3.333 12.955 3.560 1.00 0.00 C ATOM 162 C THR A 11 -4.137 12.841 2.265 1.00 0.00 C ATOM 163 O THR A 11 -3.590 12.981 1.172 1.00 0.00 O ATOM 164 CB THR A 11 -3.770 14.200 4.340 1.00 0.00 C ATOM 165 OG1 THR A 11 -2.677 14.754 5.053 1.00 0.00 O ATOM 166 CG2 THR A 11 -4.875 13.937 5.340 1.00 0.00 C ATOM 0 H THR A 11 -1.540 13.966 3.165 1.00 0.00 H new ATOM 0 HA THR A 11 -3.524 12.069 4.165 1.00 0.00 H new ATOM 0 HB THR A 11 -4.147 14.888 3.583 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.975 15.549 5.543 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.130 14.864 5.853 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.754 13.556 4.819 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.538 13.200 6.069 1.00 0.00 H new ATOM 174 N SER A 12 -5.437 12.579 2.399 1.00 0.00 N ATOM 175 CA SER A 12 -6.333 12.435 1.249 1.00 0.00 C ATOM 176 C SER A 12 -6.003 13.432 0.134 1.00 0.00 C ATOM 177 O SER A 12 -5.398 13.070 -0.873 1.00 0.00 O ATOM 178 CB SER A 12 -7.785 12.621 1.692 1.00 0.00 C ATOM 179 OG SER A 12 -8.655 12.676 0.575 1.00 0.00 O ATOM 0 H SER A 12 -5.898 12.461 3.301 1.00 0.00 H new ATOM 0 HA SER A 12 -6.192 11.431 0.849 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.078 11.799 2.345 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.877 13.538 2.274 1.00 0.00 H new ATOM 0 HG SER A 12 -9.577 12.794 0.884 1.00 0.00 H new ATOM 185 N THR A 13 -6.415 14.684 0.318 1.00 0.00 N ATOM 186 CA THR A 13 -6.170 15.723 -0.679 1.00 0.00 C ATOM 187 C THR A 13 -4.686 15.947 -0.899 1.00 0.00 C ATOM 188 O THR A 13 -4.254 16.188 -2.022 1.00 0.00 O ATOM 189 CB THR A 13 -6.834 17.035 -0.281 1.00 0.00 C ATOM 190 OG1 THR A 13 -6.512 17.378 1.057 1.00 0.00 O ATOM 191 CG2 THR A 13 -8.342 17.008 -0.403 1.00 0.00 C ATOM 0 H THR A 13 -6.919 15.003 1.146 1.00 0.00 H new ATOM 0 HA THR A 13 -6.609 15.375 -1.614 1.00 0.00 H new ATOM 0 HB THR A 13 -6.446 17.776 -0.980 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.947 18.224 1.292 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.749 17.974 -0.104 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.620 16.802 -1.437 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.745 16.229 0.243 1.00 0.00 H new ATOM 199 N GLN A 14 -3.898 15.858 0.165 1.00 0.00 N ATOM 200 CA GLN A 14 -2.460 16.048 0.035 1.00 0.00 C ATOM 201 C GLN A 14 -1.913 15.049 -0.980 1.00 0.00 C ATOM 202 O GLN A 14 -0.852 15.254 -1.568 1.00 0.00 O ATOM 203 CB GLN A 14 -1.766 15.854 1.384 1.00 0.00 C ATOM 204 CG GLN A 14 -2.309 16.735 2.499 1.00 0.00 C ATOM 205 CD GLN A 14 -2.601 18.153 2.047 1.00 0.00 C ATOM 206 OE1 GLN A 14 -1.879 18.717 1.224 1.00 0.00 O ATOM 207 NE2 GLN A 14 -3.662 18.737 2.589 1.00 0.00 N ATOM 0 H GLN A 14 -4.223 15.659 1.111 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.265 17.065 -0.306 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -1.862 14.810 1.682 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.701 16.055 1.264 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.223 16.290 2.893 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.589 16.762 3.317 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.232 18.231 3.267 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.908 19.692 2.327 1.00 0.00 H new ATOM 216 N LEU A 15 -2.671 13.974 -1.191 1.00 0.00 N ATOM 217 CA LEU A 15 -2.306 12.949 -2.149 1.00 0.00 C ATOM 218 C LEU A 15 -2.558 13.423 -3.582 1.00 0.00 C ATOM 219 O LEU A 15 -1.950 12.907 -4.520 1.00 0.00 O ATOM 220 CB LEU A 15 -3.093 11.665 -1.880 1.00 0.00 C ATOM 221 CG LEU A 15 -2.562 10.418 -2.592 1.00 0.00 C ATOM 222 CD1 LEU A 15 -1.705 9.589 -1.648 1.00 0.00 C ATOM 223 CD2 LEU A 15 -3.712 9.586 -3.141 1.00 0.00 C ATOM 0 H LEU A 15 -3.549 13.796 -0.703 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.241 12.746 -2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.097 11.478 -0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.129 11.822 -2.180 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.940 10.738 -3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.336 8.707 -2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.861 10.186 -1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.303 9.279 -0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.315 8.704 -3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.360 9.276 -2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.285 10.182 -3.852 1.00 0.00 H new ATOM 235 N LEU A 16 -3.472 14.390 -3.762 1.00 0.00 N ATOM 236 CA LEU A 16 -3.781 14.874 -5.110 1.00 0.00 C ATOM 237 C LEU A 16 -2.527 15.424 -5.801 1.00 0.00 C ATOM 238 O LEU A 16 -2.191 15.002 -6.907 1.00 0.00 O ATOM 239 CB LEU A 16 -4.890 15.938 -5.056 1.00 0.00 C ATOM 240 CG LEU A 16 -4.688 17.163 -5.956 1.00 0.00 C ATOM 241 CD1 LEU A 16 -4.711 16.759 -7.421 1.00 0.00 C ATOM 242 CD2 LEU A 16 -5.753 18.212 -5.672 1.00 0.00 C ATOM 0 H LEU A 16 -3.996 14.840 -3.011 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.141 14.031 -5.700 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.834 15.465 -5.326 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.988 16.280 -4.026 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.712 17.596 -5.737 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.566 17.642 -8.044 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.912 16.044 -7.614 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.672 16.302 -7.657 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.595 19.075 -6.319 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.740 17.790 -5.864 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.688 18.524 -4.629 1.00 0.00 H new ATOM 254 N PRO A 17 -1.811 16.367 -5.162 1.00 0.00 N ATOM 255 CA PRO A 17 -0.594 16.953 -5.729 1.00 0.00 C ATOM 256 C PRO A 17 0.601 16.009 -5.633 1.00 0.00 C ATOM 257 O PRO A 17 1.395 15.898 -6.567 1.00 0.00 O ATOM 258 CB PRO A 17 -0.350 18.206 -4.868 1.00 0.00 C ATOM 259 CG PRO A 17 -1.537 18.325 -3.967 1.00 0.00 C ATOM 260 CD PRO A 17 -2.123 16.948 -3.855 1.00 0.00 C ATOM 0 HA PRO A 17 -0.711 17.169 -6.791 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.570 18.110 -4.291 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -0.243 19.093 -5.492 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.245 18.704 -2.988 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.266 19.025 -4.375 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.674 16.380 -3.040 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.197 16.977 -3.669 1.00 0.00 H new ATOM 268 N LEU A 18 0.726 15.337 -4.492 1.00 0.00 N ATOM 269 CA LEU A 18 1.828 14.406 -4.263 1.00 0.00 C ATOM 270 C LEU A 18 1.658 13.123 -5.074 1.00 0.00 C ATOM 271 O LEU A 18 2.605 12.352 -5.227 1.00 0.00 O ATOM 272 CB LEU A 18 1.927 14.064 -2.776 1.00 0.00 C ATOM 273 CG LEU A 18 2.816 12.864 -2.444 1.00 0.00 C ATOM 274 CD1 LEU A 18 3.565 13.101 -1.146 1.00 0.00 C ATOM 275 CD2 LEU A 18 1.987 11.591 -2.358 1.00 0.00 C ATOM 0 H LEU A 18 0.077 15.420 -3.710 1.00 0.00 H new ATOM 0 HA LEU A 18 2.746 14.895 -4.589 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.306 14.936 -2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.924 13.870 -2.396 1.00 0.00 H new ATOM 0 HG LEU A 18 3.545 12.744 -3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.192 12.238 -0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.190 13.988 -1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.851 13.248 -0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.637 10.749 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.234 11.699 -1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.495 11.412 -3.314 1.00 0.00 H new ATOM 287 N HIS A 19 0.450 12.899 -5.581 1.00 0.00 N ATOM 288 CA HIS A 19 0.147 11.707 -6.373 1.00 0.00 C ATOM 289 C HIS A 19 1.310 11.346 -7.293 1.00 0.00 C ATOM 290 O HIS A 19 1.648 10.174 -7.457 1.00 0.00 O ATOM 291 CB HIS A 19 -1.123 11.933 -7.199 1.00 0.00 C ATOM 292 CG HIS A 19 -2.153 10.862 -7.021 1.00 0.00 C ATOM 293 ND1 HIS A 19 -1.847 9.586 -6.597 1.00 0.00 N ATOM 294 CD2 HIS A 19 -3.493 10.883 -7.209 1.00 0.00 C ATOM 295 CE1 HIS A 19 -2.955 8.868 -6.535 1.00 0.00 C ATOM 296 NE2 HIS A 19 -3.967 9.632 -6.900 1.00 0.00 N ATOM 0 H HIS A 19 -0.341 13.531 -5.458 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.013 10.876 -5.686 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.559 12.894 -6.924 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -0.854 11.995 -8.253 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.080 11.727 -7.540 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -3.021 7.832 -6.236 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -4.943 9.340 -6.945 1.00 0.00 H new ATOM 305 N ARG A 20 1.920 12.368 -7.881 1.00 0.00 N ATOM 306 CA ARG A 20 3.053 12.171 -8.779 1.00 0.00 C ATOM 307 C ARG A 20 2.694 11.215 -9.911 1.00 0.00 C ATOM 308 O ARG A 20 3.332 10.177 -10.091 1.00 0.00 O ATOM 309 CB ARG A 20 4.257 11.633 -8.000 1.00 0.00 C ATOM 310 CG ARG A 20 5.582 12.247 -8.425 1.00 0.00 C ATOM 311 CD ARG A 20 6.626 12.145 -7.322 1.00 0.00 C ATOM 312 NE ARG A 20 7.011 13.459 -6.811 1.00 0.00 N ATOM 313 CZ ARG A 20 7.895 14.258 -7.405 1.00 0.00 C ATOM 314 NH1 ARG A 20 8.485 13.885 -8.534 1.00 0.00 N ATOM 315 NH2 ARG A 20 8.190 15.434 -6.869 1.00 0.00 N ATOM 0 H ARG A 20 1.649 13.343 -7.752 1.00 0.00 H new ATOM 0 HA ARG A 20 3.311 13.136 -9.215 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.104 11.820 -6.937 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.309 10.552 -8.129 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.947 11.743 -9.320 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.431 13.294 -8.688 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.233 11.539 -6.506 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.508 11.632 -7.704 1.00 0.00 H new ATOM 0 HE ARG A 20 6.576 13.784 -5.947 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.262 12.982 -8.952 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.161 14.502 -8.984 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.740 15.727 -6.002 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.867 16.046 -7.324 1.00 0.00 H new ATOM 329 N ARG A 21 1.666 11.571 -10.674 1.00 0.00 N ATOM 330 CA ARG A 21 1.224 10.741 -11.791 1.00 0.00 C ATOM 331 C ARG A 21 0.768 9.373 -11.280 1.00 0.00 C ATOM 332 O ARG A 21 0.775 9.129 -10.075 1.00 0.00 O ATOM 333 CB ARG A 21 2.354 10.580 -12.817 1.00 0.00 C ATOM 334 CG ARG A 21 3.241 11.809 -12.962 1.00 0.00 C ATOM 335 CD ARG A 21 2.536 12.923 -13.719 1.00 0.00 C ATOM 336 NE ARG A 21 2.331 12.584 -15.127 1.00 0.00 N ATOM 337 CZ ARG A 21 1.172 12.171 -15.639 1.00 0.00 C ATOM 338 NH1 ARG A 21 0.099 12.042 -14.867 1.00 0.00 N ATOM 339 NH2 ARG A 21 1.086 11.885 -16.930 1.00 0.00 N ATOM 0 H ARG A 21 1.124 12.425 -10.541 1.00 0.00 H new ATOM 0 HA ARG A 21 0.382 11.230 -12.280 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.973 9.730 -12.530 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.918 10.343 -13.788 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.532 12.167 -11.974 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.158 11.537 -13.485 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.573 13.126 -13.251 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.124 13.838 -13.648 1.00 0.00 H new ATOM 0 HE ARG A 21 3.127 12.669 -15.758 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.157 12.260 -13.872 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.783 11.725 -15.269 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.906 11.981 -17.529 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.200 11.569 -17.324 1.00 0.00 H new ATOM 353 N PRO A 22 0.357 8.459 -12.184 1.00 0.00 N ATOM 354 CA PRO A 22 -0.101 7.119 -11.802 1.00 0.00 C ATOM 355 C PRO A 22 0.964 6.358 -11.007 1.00 0.00 C ATOM 356 O PRO A 22 1.497 6.878 -10.030 1.00 0.00 O ATOM 357 CB PRO A 22 -0.391 6.449 -13.158 1.00 0.00 C ATOM 358 CG PRO A 22 -0.648 7.580 -14.081 1.00 0.00 C ATOM 359 CD PRO A 22 0.299 8.653 -13.642 1.00 0.00 C ATOM 0 HA PRO A 22 -0.969 7.138 -11.143 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.454 5.847 -13.493 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.252 5.783 -13.096 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.469 7.294 -15.117 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.683 7.915 -14.017 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.280 8.541 -14.104 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.065 9.646 -13.904 1.00 0.00 H new ATOM 367 N ASN A 23 1.269 5.130 -11.415 1.00 0.00 N ATOM 368 CA ASN A 23 2.268 4.313 -10.726 1.00 0.00 C ATOM 369 C ASN A 23 2.021 4.290 -9.213 1.00 0.00 C ATOM 370 O ASN A 23 2.943 4.080 -8.441 1.00 0.00 O ATOM 371 CB ASN A 23 3.687 4.819 -11.054 1.00 0.00 C ATOM 372 CG ASN A 23 4.305 5.685 -9.972 1.00 0.00 C ATOM 373 OD1 ASN A 23 3.628 6.477 -9.320 1.00 0.00 O ATOM 374 ND2 ASN A 23 5.604 5.538 -9.781 1.00 0.00 N ATOM 0 H ASN A 23 0.839 4.676 -12.221 1.00 0.00 H new ATOM 0 HA ASN A 23 2.178 3.287 -11.083 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.335 3.960 -11.230 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.652 5.388 -11.983 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.081 6.093 -9.071 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.130 4.869 -10.344 1.00 0.00 H new ATOM 381 N ILE A 24 0.774 4.517 -8.793 1.00 0.00 N ATOM 382 CA ILE A 24 0.446 4.533 -7.364 1.00 0.00 C ATOM 383 C ILE A 24 -0.510 3.419 -6.948 1.00 0.00 C ATOM 384 O ILE A 24 -1.520 3.163 -7.604 1.00 0.00 O ATOM 385 CB ILE A 24 -0.177 5.882 -6.940 1.00 0.00 C ATOM 386 CG1 ILE A 24 -1.011 6.480 -8.079 1.00 0.00 C ATOM 387 CG2 ILE A 24 0.908 6.852 -6.504 1.00 0.00 C ATOM 388 CD1 ILE A 24 -2.219 5.647 -8.447 1.00 0.00 C ATOM 0 H ILE A 24 -0.017 4.690 -9.413 1.00 0.00 H new ATOM 0 HA ILE A 24 1.399 4.377 -6.858 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.841 5.702 -6.094 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.342 7.478 -7.791 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.378 6.596 -8.959 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.453 7.798 -6.208 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.454 6.432 -5.659 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.597 7.024 -7.331 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.761 6.131 -9.259 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.894 4.657 -8.767 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.873 5.552 -7.580 1.00 0.00 H new ATOM 400 N ALA A 25 -0.190 2.788 -5.818 1.00 0.00 N ATOM 401 CA ALA A 25 -1.015 1.729 -5.250 1.00 0.00 C ATOM 402 C ALA A 25 -0.737 1.589 -3.756 1.00 0.00 C ATOM 403 O ALA A 25 0.358 1.898 -3.293 1.00 0.00 O ATOM 404 CB ALA A 25 -0.795 0.406 -5.964 1.00 0.00 C ATOM 0 H ALA A 25 0.647 2.998 -5.274 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.060 2.005 -5.390 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.426 -0.360 -5.514 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.052 0.514 -7.018 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.251 0.113 -5.873 1.00 0.00 H new ATOM 410 N ILE A 26 -1.734 1.147 -3.002 1.00 0.00 N ATOM 411 CA ILE A 26 -1.589 0.998 -1.558 1.00 0.00 C ATOM 412 C ILE A 26 -1.439 -0.465 -1.130 1.00 0.00 C ATOM 413 O ILE A 26 -2.181 -1.337 -1.575 1.00 0.00 O ATOM 414 CB ILE A 26 -2.779 1.635 -0.818 1.00 0.00 C ATOM 415 CG1 ILE A 26 -2.946 3.096 -1.242 1.00 0.00 C ATOM 416 CG2 ILE A 26 -2.608 1.529 0.692 1.00 0.00 C ATOM 417 CD1 ILE A 26 -4.307 3.402 -1.823 1.00 0.00 C ATOM 0 H ILE A 26 -2.651 0.885 -3.364 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.671 1.519 -1.286 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.681 1.087 -1.089 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.775 3.739 -0.378 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.181 3.342 -1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.464 1.987 1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.542 0.479 0.978 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.696 2.045 0.992 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.355 4.455 -2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.473 2.785 -2.706 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.076 3.188 -1.081 1.00 0.00 H new ATOM 429 N ILE A 27 -0.469 -0.709 -0.249 1.00 0.00 N ATOM 430 CA ILE A 27 -0.210 -2.049 0.270 1.00 0.00 C ATOM 431 C ILE A 27 -0.940 -2.272 1.594 1.00 0.00 C ATOM 432 O ILE A 27 -1.023 -1.374 2.432 1.00 0.00 O ATOM 433 CB ILE A 27 1.296 -2.317 0.493 1.00 0.00 C ATOM 434 CG1 ILE A 27 2.162 -1.365 -0.337 1.00 0.00 C ATOM 435 CG2 ILE A 27 1.625 -3.762 0.152 1.00 0.00 C ATOM 436 CD1 ILE A 27 3.641 -1.511 -0.061 1.00 0.00 C ATOM 0 H ILE A 27 0.153 0.010 0.121 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.579 -2.741 -0.487 1.00 0.00 H new ATOM 0 HB ILE A 27 1.518 -2.138 1.545 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.977 -1.546 -1.396 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.860 -0.338 -0.132 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.688 -3.941 0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.045 -4.428 0.791 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.378 -3.955 -0.892 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.198 -0.809 -0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.837 -1.302 0.991 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.956 -2.528 -0.293 1.00 0.00 H new ATOM 448 N ASP A 28 -1.461 -3.481 1.772 1.00 0.00 N ATOM 449 CA ASP A 28 -2.178 -3.842 2.989 1.00 0.00 C ATOM 450 C ASP A 28 -1.675 -5.179 3.529 1.00 0.00 C ATOM 451 O ASP A 28 -1.484 -6.129 2.774 1.00 0.00 O ATOM 452 CB ASP A 28 -3.682 -3.922 2.715 1.00 0.00 C ATOM 453 CG ASP A 28 -4.270 -2.583 2.317 1.00 0.00 C ATOM 454 OD1 ASP A 28 -3.576 -1.556 2.481 1.00 0.00 O ATOM 455 OD2 ASP A 28 -5.424 -2.559 1.839 1.00 0.00 O ATOM 0 H ASP A 28 -1.399 -4.232 1.084 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.995 -3.071 3.737 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.866 -4.646 1.922 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.192 -4.289 3.606 1.00 0.00 H new ATOM 460 N VAL A 29 -1.459 -5.244 4.837 1.00 0.00 N ATOM 461 CA VAL A 29 -0.974 -6.468 5.469 1.00 0.00 C ATOM 462 C VAL A 29 -2.065 -7.128 6.308 1.00 0.00 C ATOM 463 O VAL A 29 -2.185 -6.869 7.505 1.00 0.00 O ATOM 464 CB VAL A 29 0.253 -6.197 6.366 1.00 0.00 C ATOM 465 CG1 VAL A 29 1.499 -5.985 5.520 1.00 0.00 C ATOM 466 CG2 VAL A 29 0.006 -5.001 7.273 1.00 0.00 C ATOM 0 H VAL A 29 -1.611 -4.467 5.480 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.682 -7.140 4.662 1.00 0.00 H new ATOM 0 HB VAL A 29 0.414 -7.071 6.997 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.353 -5.795 6.171 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.689 -6.877 4.922 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.349 -5.131 4.860 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.884 -4.829 7.896 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.186 -4.117 6.665 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.857 -5.199 7.909 1.00 0.00 H new ATOM 476 N ARG A 30 -2.857 -7.986 5.672 1.00 0.00 N ATOM 477 CA ARG A 30 -3.933 -8.684 6.363 1.00 0.00 C ATOM 478 C ARG A 30 -3.651 -10.189 6.438 1.00 0.00 C ATOM 479 O ARG A 30 -2.955 -10.645 7.344 1.00 0.00 O ATOM 480 CB ARG A 30 -5.273 -8.416 5.669 1.00 0.00 C ATOM 481 CG ARG A 30 -5.770 -6.989 5.836 1.00 0.00 C ATOM 482 CD ARG A 30 -6.046 -6.658 7.294 1.00 0.00 C ATOM 483 NE ARG A 30 -7.475 -6.540 7.570 1.00 0.00 N ATOM 484 CZ ARG A 30 -8.243 -7.553 7.968 1.00 0.00 C ATOM 485 NH1 ARG A 30 -7.728 -8.767 8.123 1.00 0.00 N ATOM 486 NH2 ARG A 30 -9.532 -7.353 8.207 1.00 0.00 N ATOM 0 H ARG A 30 -2.773 -8.213 4.681 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.989 -8.303 7.383 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.172 -8.635 4.606 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.022 -9.101 6.066 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.028 -6.296 5.440 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.680 -6.850 5.252 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.618 -7.434 7.929 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.549 -5.723 7.553 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.912 -5.626 7.451 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.738 -8.929 7.937 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.322 -9.538 8.428 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.935 -6.424 8.086 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.120 -8.128 8.512 1.00 0.00 H new ATOM 500 N ASP A 31 -4.192 -10.953 5.481 1.00 0.00 N ATOM 501 CA ASP A 31 -4.004 -12.405 5.436 1.00 0.00 C ATOM 502 C ASP A 31 -5.095 -13.047 4.590 1.00 0.00 C ATOM 503 O ASP A 31 -4.844 -13.522 3.482 1.00 0.00 O ATOM 504 CB ASP A 31 -4.025 -13.017 6.843 1.00 0.00 C ATOM 505 CG ASP A 31 -2.654 -13.479 7.295 1.00 0.00 C ATOM 506 OD1 ASP A 31 -2.173 -14.508 6.776 1.00 0.00 O ATOM 507 OD2 ASP A 31 -2.061 -12.812 8.170 1.00 0.00 O ATOM 0 H ASP A 31 -4.767 -10.585 4.723 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.028 -12.599 4.991 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.408 -12.281 7.550 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.713 -13.862 6.858 1.00 0.00 H new ATOM 512 N GLU A 32 -6.311 -13.051 5.125 1.00 0.00 N ATOM 513 CA GLU A 32 -7.453 -13.627 4.430 1.00 0.00 C ATOM 514 C GLU A 32 -8.550 -12.586 4.233 1.00 0.00 C ATOM 515 O GLU A 32 -9.734 -12.921 4.192 1.00 0.00 O ATOM 516 CB GLU A 32 -7.998 -14.825 5.210 1.00 0.00 C ATOM 517 CG GLU A 32 -7.511 -16.164 4.681 1.00 0.00 C ATOM 518 CD GLU A 32 -8.085 -16.496 3.319 1.00 0.00 C ATOM 519 OE1 GLU A 32 -9.304 -16.300 3.124 1.00 0.00 O ATOM 520 OE2 GLU A 32 -7.318 -16.950 2.444 1.00 0.00 O ATOM 0 H GLU A 32 -6.530 -12.660 6.041 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.120 -13.965 3.449 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.708 -14.729 6.256 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.087 -14.805 5.178 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.423 -16.152 4.619 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.782 -16.949 5.387 1.00 0.00 H new ATOM 527 N GLU A 33 -8.149 -11.324 4.098 1.00 0.00 N ATOM 528 CA GLU A 33 -9.102 -10.236 3.894 1.00 0.00 C ATOM 529 C GLU A 33 -9.973 -10.497 2.672 1.00 0.00 C ATOM 530 O GLU A 33 -11.041 -9.903 2.524 1.00 0.00 O ATOM 531 CB GLU A 33 -8.371 -8.898 3.747 1.00 0.00 C ATOM 532 CG GLU A 33 -9.003 -7.772 4.550 1.00 0.00 C ATOM 533 CD GLU A 33 -8.962 -6.442 3.824 1.00 0.00 C ATOM 534 OE1 GLU A 33 -9.699 -6.287 2.826 1.00 0.00 O ATOM 535 OE2 GLU A 33 -8.195 -5.554 4.252 1.00 0.00 O ATOM 0 H GLU A 33 -7.173 -11.030 4.126 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.747 -10.187 4.771 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.335 -9.022 4.063 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.352 -8.617 2.694 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.039 -8.028 4.774 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.485 -7.677 5.504 1.00 0.00 H new ATOM 542 N ARG A 34 -9.533 -11.410 1.811 1.00 0.00 N ATOM 543 CA ARG A 34 -10.299 -11.759 0.629 1.00 0.00 C ATOM 544 C ARG A 34 -11.636 -12.336 1.060 1.00 0.00 C ATOM 545 O ARG A 34 -12.647 -12.183 0.374 1.00 0.00 O ATOM 546 CB ARG A 34 -9.538 -12.770 -0.228 1.00 0.00 C ATOM 547 CG ARG A 34 -8.098 -12.372 -0.505 1.00 0.00 C ATOM 548 CD ARG A 34 -7.149 -13.548 -0.341 1.00 0.00 C ATOM 549 NE ARG A 34 -5.872 -13.319 -1.011 1.00 0.00 N ATOM 550 CZ ARG A 34 -4.818 -14.122 -0.890 1.00 0.00 C ATOM 551 NH1 ARG A 34 -4.884 -15.204 -0.125 1.00 0.00 N ATOM 552 NH2 ARG A 34 -3.695 -13.841 -1.536 1.00 0.00 N ATOM 0 H ARG A 34 -8.654 -11.917 1.913 1.00 0.00 H new ATOM 0 HA ARG A 34 -10.461 -10.864 0.028 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -9.549 -13.738 0.272 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -10.060 -12.895 -1.176 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.018 -11.978 -1.518 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.805 -11.570 0.173 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.975 -13.728 0.720 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.614 -14.448 -0.744 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.783 -12.496 -1.606 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.746 -15.424 0.374 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.073 -15.816 -0.036 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.640 -13.010 -2.125 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.886 -14.456 -1.444 1.00 0.00 H new ATOM 566 N ASN A 35 -11.631 -12.985 2.220 1.00 0.00 N ATOM 567 CA ASN A 35 -12.839 -13.568 2.769 1.00 0.00 C ATOM 568 C ASN A 35 -13.629 -12.512 3.536 1.00 0.00 C ATOM 569 O ASN A 35 -14.856 -12.569 3.609 1.00 0.00 O ATOM 570 CB ASN A 35 -12.502 -14.753 3.677 1.00 0.00 C ATOM 571 CG ASN A 35 -13.097 -16.054 3.172 1.00 0.00 C ATOM 572 OD1 ASN A 35 -14.257 -16.367 3.444 1.00 0.00 O ATOM 573 ND2 ASN A 35 -12.304 -16.820 2.432 1.00 0.00 N ATOM 0 H ASN A 35 -10.799 -13.118 2.795 1.00 0.00 H new ATOM 0 HA ASN A 35 -13.453 -13.935 1.947 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.419 -14.856 3.750 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -12.872 -14.554 4.683 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.649 -17.707 2.064 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.349 -16.522 2.231 1.00 0.00 H new ATOM 580 N TYR A 36 -12.912 -11.539 4.099 1.00 0.00 N ATOM 581 CA TYR A 36 -13.542 -10.460 4.850 1.00 0.00 C ATOM 582 C TYR A 36 -14.480 -9.663 3.956 1.00 0.00 C ATOM 583 O TYR A 36 -15.430 -9.049 4.438 1.00 0.00 O ATOM 584 CB TYR A 36 -12.481 -9.540 5.454 1.00 0.00 C ATOM 585 CG TYR A 36 -11.836 -10.109 6.696 1.00 0.00 C ATOM 586 CD1 TYR A 36 -10.990 -11.207 6.617 1.00 0.00 C ATOM 587 CD2 TYR A 36 -12.076 -9.554 7.945 1.00 0.00 C ATOM 588 CE1 TYR A 36 -10.399 -11.736 7.748 1.00 0.00 C ATOM 589 CE2 TYR A 36 -11.490 -10.075 9.082 1.00 0.00 C ATOM 590 CZ TYR A 36 -10.652 -11.165 8.978 1.00 0.00 C ATOM 591 OH TYR A 36 -10.066 -11.688 10.109 1.00 0.00 O ATOM 0 H TYR A 36 -11.895 -11.479 4.048 1.00 0.00 H new ATOM 0 HA TYR A 36 -14.125 -10.901 5.659 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -11.710 -9.347 4.708 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -12.937 -8.580 5.697 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -10.791 -11.655 5.655 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -12.732 -8.700 8.029 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.743 -12.591 7.670 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.687 -9.631 10.047 1.00 0.00 H new ATOM 0 HH TYR A 36 -10.346 -11.170 10.892 1.00 0.00 H new ATOM 601 N ASP A 37 -14.200 -9.694 2.648 1.00 0.00 N ATOM 602 CA ASP A 37 -15.003 -8.995 1.634 1.00 0.00 C ATOM 603 C ASP A 37 -14.385 -7.649 1.254 1.00 0.00 C ATOM 604 O ASP A 37 -14.764 -7.051 0.248 1.00 0.00 O ATOM 605 CB ASP A 37 -16.465 -8.813 2.091 1.00 0.00 C ATOM 606 CG ASP A 37 -16.743 -7.454 2.716 1.00 0.00 C ATOM 607 OD1 ASP A 37 -15.841 -6.908 3.386 1.00 0.00 O ATOM 608 OD2 ASP A 37 -17.865 -6.937 2.534 1.00 0.00 O ATOM 0 H ASP A 37 -13.408 -10.206 2.260 1.00 0.00 H new ATOM 0 HA ASP A 37 -15.006 -9.625 0.745 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -17.125 -8.951 1.234 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -16.711 -9.592 2.812 1.00 0.00 H new ATOM 613 N GLY A 38 -13.437 -7.175 2.059 1.00 0.00 N ATOM 614 CA GLY A 38 -12.796 -5.900 1.773 1.00 0.00 C ATOM 615 C GLY A 38 -12.174 -5.857 0.390 1.00 0.00 C ATOM 616 O GLY A 38 -11.193 -6.553 0.129 1.00 0.00 O ATOM 0 H GLY A 38 -13.102 -7.647 2.899 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.531 -5.100 1.862 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.025 -5.709 2.520 1.00 0.00 H new ATOM 620 N HIS A 39 -12.741 -5.037 -0.500 1.00 0.00 N ATOM 621 CA HIS A 39 -12.220 -4.923 -1.863 1.00 0.00 C ATOM 622 C HIS A 39 -12.671 -3.651 -2.601 1.00 0.00 C ATOM 623 O HIS A 39 -12.380 -3.512 -3.789 1.00 0.00 O ATOM 624 CB HIS A 39 -12.613 -6.139 -2.704 1.00 0.00 C ATOM 625 CG HIS A 39 -12.210 -7.454 -2.121 1.00 0.00 C ATOM 626 ND1 HIS A 39 -13.042 -8.148 -1.277 1.00 0.00 N ATOM 627 CD2 HIS A 39 -11.073 -8.166 -2.307 1.00 0.00 C ATOM 628 CE1 HIS A 39 -12.398 -9.261 -0.971 1.00 0.00 C ATOM 629 NE2 HIS A 39 -11.199 -9.316 -1.573 1.00 0.00 N ATOM 0 H HIS A 39 -13.551 -4.449 -0.304 1.00 0.00 H new ATOM 0 HA HIS A 39 -11.138 -4.868 -1.746 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -13.694 -6.134 -2.843 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -12.164 -6.041 -3.692 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -13.966 -7.863 -0.953 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.229 -7.882 -2.917 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.787 -10.029 -0.319 1.00 0.00 H new ATOM 637 N ILE A 40 -13.334 -2.699 -1.928 1.00 0.00 N ATOM 638 CA ILE A 40 -13.728 -1.455 -2.611 1.00 0.00 C ATOM 639 C ILE A 40 -12.514 -0.525 -2.663 1.00 0.00 C ATOM 640 O ILE A 40 -12.612 0.702 -2.651 1.00 0.00 O ATOM 641 CB ILE A 40 -14.954 -0.772 -1.944 1.00 0.00 C ATOM 642 CG1 ILE A 40 -15.963 -0.346 -3.013 1.00 0.00 C ATOM 643 CG2 ILE A 40 -14.563 0.426 -1.087 1.00 0.00 C ATOM 644 CD1 ILE A 40 -16.641 -1.510 -3.701 1.00 0.00 C ATOM 0 H ILE A 40 -13.602 -2.759 -0.946 1.00 0.00 H new ATOM 0 HA ILE A 40 -14.049 -1.694 -3.625 1.00 0.00 H new ATOM 0 HB ILE A 40 -15.408 -1.507 -1.279 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -16.722 0.286 -2.553 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -15.453 0.261 -3.761 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -15.458 0.865 -0.645 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -13.889 0.102 -0.294 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -14.063 1.169 -1.708 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -17.342 -1.134 -4.446 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -15.890 -2.131 -4.190 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -17.179 -2.105 -2.963 1.00 0.00 H new ATOM 656 N ALA A 41 -11.368 -1.182 -2.724 1.00 0.00 N ATOM 657 CA ALA A 41 -10.052 -0.575 -2.776 1.00 0.00 C ATOM 658 C ALA A 41 -9.150 -1.363 -3.728 1.00 0.00 C ATOM 659 O ALA A 41 -9.281 -2.578 -3.855 1.00 0.00 O ATOM 660 CB ALA A 41 -9.437 -0.518 -1.384 1.00 0.00 C ATOM 0 H ALA A 41 -11.330 -2.201 -2.739 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.150 0.445 -3.149 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.450 -0.060 -1.441 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.075 0.075 -0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.346 -1.528 -0.985 1.00 0.00 H new ATOM 666 N GLY A 42 -8.269 -0.671 -4.433 1.00 0.00 N ATOM 667 CA GLY A 42 -7.375 -1.336 -5.362 1.00 0.00 C ATOM 668 C GLY A 42 -6.165 -1.939 -4.670 1.00 0.00 C ATOM 669 O GLY A 42 -5.535 -2.857 -5.198 1.00 0.00 O ATOM 0 H GLY A 42 -8.156 0.341 -4.380 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.919 -2.121 -5.886 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.041 -0.622 -6.115 1.00 0.00 H new ATOM 673 N SER A 43 -5.845 -1.425 -3.483 1.00 0.00 N ATOM 674 CA SER A 43 -4.712 -1.908 -2.692 1.00 0.00 C ATOM 675 C SER A 43 -4.619 -3.432 -2.715 1.00 0.00 C ATOM 676 O SER A 43 -5.556 -4.118 -3.123 1.00 0.00 O ATOM 677 CB SER A 43 -4.852 -1.433 -1.244 1.00 0.00 C ATOM 678 OG SER A 43 -4.085 -2.236 -0.364 1.00 0.00 O ATOM 0 H SER A 43 -6.362 -0.664 -3.043 1.00 0.00 H new ATOM 0 HA SER A 43 -3.802 -1.503 -3.134 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.530 -0.395 -1.167 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.901 -1.464 -0.948 1.00 0.00 H new ATOM 0 HG SER A 43 -3.135 -2.154 -0.590 1.00 0.00 H new ATOM 684 N LEU A 44 -3.481 -3.957 -2.267 1.00 0.00 N ATOM 685 CA LEU A 44 -3.272 -5.400 -2.235 1.00 0.00 C ATOM 686 C LEU A 44 -3.045 -5.894 -0.810 1.00 0.00 C ATOM 687 O LEU A 44 -2.080 -5.503 -0.154 1.00 0.00 O ATOM 688 CB LEU A 44 -2.084 -5.786 -3.117 1.00 0.00 C ATOM 689 CG LEU A 44 -1.798 -7.285 -3.199 1.00 0.00 C ATOM 690 CD1 LEU A 44 -2.660 -7.939 -4.268 1.00 0.00 C ATOM 691 CD2 LEU A 44 -0.322 -7.530 -3.478 1.00 0.00 C ATOM 0 H LEU A 44 -2.694 -3.407 -1.923 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.173 -5.876 -2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.262 -5.410 -4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.194 -5.282 -2.741 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.047 -7.735 -2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.441 -9.006 -4.310 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.713 -7.794 -4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.445 -7.486 -5.236 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.135 -8.602 -3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.049 -7.065 -4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.276 -7.098 -2.676 1.00 0.00 H new ATOM 703 N HIS A 45 -3.940 -6.757 -0.339 1.00 0.00 N ATOM 704 CA HIS A 45 -3.842 -7.307 1.012 1.00 0.00 C ATOM 705 C HIS A 45 -3.138 -8.663 1.002 1.00 0.00 C ATOM 706 O HIS A 45 -3.275 -9.436 0.054 1.00 0.00 O ATOM 707 CB HIS A 45 -5.238 -7.447 1.628 1.00 0.00 C ATOM 708 CG HIS A 45 -6.159 -6.313 1.296 1.00 0.00 C ATOM 709 ND1 HIS A 45 -6.593 -5.395 2.230 1.00 0.00 N ATOM 710 CD2 HIS A 45 -6.728 -5.948 0.121 1.00 0.00 C ATOM 711 CE1 HIS A 45 -7.388 -4.517 1.646 1.00 0.00 C ATOM 712 NE2 HIS A 45 -7.486 -4.831 0.368 1.00 0.00 N ATOM 0 H HIS A 45 -4.743 -7.092 -0.872 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.251 -6.618 1.616 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.685 -8.380 1.284 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.142 -7.520 2.711 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -6.339 -5.395 3.218 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.607 -6.443 -0.831 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.875 -3.684 2.131 1.00 0.00 H new ATOM 721 N TYR A 46 -2.383 -8.948 2.061 1.00 0.00 N ATOM 722 CA TYR A 46 -1.661 -10.214 2.165 1.00 0.00 C ATOM 723 C TYR A 46 -1.153 -10.446 3.589 1.00 0.00 C ATOM 724 O TYR A 46 -1.395 -9.641 4.484 1.00 0.00 O ATOM 725 CB TYR A 46 -0.491 -10.239 1.178 1.00 0.00 C ATOM 726 CG TYR A 46 0.664 -9.354 1.586 1.00 0.00 C ATOM 727 CD1 TYR A 46 0.496 -7.982 1.734 1.00 0.00 C ATOM 728 CD2 TYR A 46 1.920 -9.890 1.830 1.00 0.00 C ATOM 729 CE1 TYR A 46 1.547 -7.172 2.114 1.00 0.00 C ATOM 730 CE2 TYR A 46 2.976 -9.086 2.209 1.00 0.00 C ATOM 731 CZ TYR A 46 2.785 -7.728 2.351 1.00 0.00 C ATOM 732 OH TYR A 46 3.835 -6.925 2.733 1.00 0.00 O ATOM 0 H TYR A 46 -2.256 -8.322 2.856 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.354 -11.018 1.917 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.134 -11.264 1.076 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -0.848 -9.927 0.196 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.473 -7.543 1.549 1.00 0.00 H new ATOM 0 HD2 TYR A 46 2.074 -10.953 1.722 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.400 -6.108 2.225 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.948 -9.519 2.394 1.00 0.00 H new ATOM 0 HH TYR A 46 4.637 -7.474 2.861 1.00 0.00 H new ATOM 742 N ALA A 47 -0.451 -11.559 3.785 1.00 0.00 N ATOM 743 CA ALA A 47 0.089 -11.910 5.097 1.00 0.00 C ATOM 744 C ALA A 47 1.548 -11.483 5.239 1.00 0.00 C ATOM 745 O ALA A 47 2.062 -10.708 4.433 1.00 0.00 O ATOM 746 CB ALA A 47 -0.045 -13.408 5.333 1.00 0.00 C ATOM 0 H ALA A 47 -0.242 -12.235 3.051 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.488 -11.372 5.849 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.360 -13.660 6.313 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.097 -13.690 5.292 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.506 -13.948 4.563 1.00 0.00 H new ATOM 752 N SER A 48 2.209 -12.001 6.274 1.00 0.00 N ATOM 753 CA SER A 48 3.610 -11.680 6.528 1.00 0.00 C ATOM 754 C SER A 48 4.443 -12.949 6.673 1.00 0.00 C ATOM 755 O SER A 48 5.477 -12.954 7.341 1.00 0.00 O ATOM 756 CB SER A 48 3.741 -10.819 7.785 1.00 0.00 C ATOM 757 OG SER A 48 3.623 -11.605 8.958 1.00 0.00 O ATOM 0 H SER A 48 1.795 -12.644 6.949 1.00 0.00 H new ATOM 0 HA SER A 48 3.987 -11.118 5.674 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.704 -10.309 7.781 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.972 -10.047 7.782 1.00 0.00 H new ATOM 0 HG SER A 48 3.869 -11.066 9.739 1.00 0.00 H new ATOM 763 N GLY A 49 3.997 -14.011 6.017 1.00 0.00 N ATOM 764 CA GLY A 49 4.718 -15.268 6.051 1.00 0.00 C ATOM 765 C GLY A 49 5.684 -15.358 4.893 1.00 0.00 C ATOM 766 O GLY A 49 6.748 -15.970 4.993 1.00 0.00 O ATOM 0 H GLY A 49 3.144 -14.024 5.459 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.261 -15.357 6.992 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.014 -16.099 6.010 1.00 0.00 H new ATOM 770 N SER A 50 5.306 -14.712 3.797 1.00 0.00 N ATOM 771 CA SER A 50 6.121 -14.665 2.598 1.00 0.00 C ATOM 772 C SER A 50 6.197 -13.228 2.094 1.00 0.00 C ATOM 773 O SER A 50 6.371 -12.979 0.901 1.00 0.00 O ATOM 774 CB SER A 50 5.539 -15.580 1.522 1.00 0.00 C ATOM 775 OG SER A 50 4.732 -14.859 0.606 1.00 0.00 O ATOM 0 H SER A 50 4.424 -14.206 3.718 1.00 0.00 H new ATOM 0 HA SER A 50 7.126 -15.015 2.832 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.349 -16.072 0.985 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.945 -16.364 1.992 1.00 0.00 H new ATOM 0 HG SER A 50 5.274 -14.174 0.162 1.00 0.00 H new ATOM 781 N PHE A 51 6.061 -12.286 3.026 1.00 0.00 N ATOM 782 CA PHE A 51 6.110 -10.870 2.708 1.00 0.00 C ATOM 783 C PHE A 51 7.434 -10.496 2.064 1.00 0.00 C ATOM 784 O PHE A 51 7.559 -9.426 1.473 1.00 0.00 O ATOM 785 CB PHE A 51 5.860 -10.013 3.961 1.00 0.00 C ATOM 786 CG PHE A 51 6.714 -10.339 5.170 1.00 0.00 C ATOM 787 CD1 PHE A 51 7.618 -11.395 5.170 1.00 0.00 C ATOM 788 CD2 PHE A 51 6.601 -9.572 6.320 1.00 0.00 C ATOM 789 CE1 PHE A 51 8.385 -11.673 6.286 1.00 0.00 C ATOM 790 CE2 PHE A 51 7.367 -9.849 7.438 1.00 0.00 C ATOM 791 CZ PHE A 51 8.261 -10.899 7.420 1.00 0.00 C ATOM 0 H PHE A 51 5.915 -12.487 4.015 1.00 0.00 H new ATOM 0 HA PHE A 51 5.315 -10.668 1.990 1.00 0.00 H new ATOM 0 HB2 PHE A 51 6.020 -8.967 3.699 1.00 0.00 H new ATOM 0 HB3 PHE A 51 4.812 -10.114 4.243 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.723 -12.007 4.286 1.00 0.00 H new ATOM 0 HD2 PHE A 51 5.905 -8.747 6.343 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.082 -12.498 6.269 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.265 -9.242 8.326 1.00 0.00 H new ATOM 0 HZ PHE A 51 8.862 -11.114 8.291 1.00 0.00 H new ATOM 801 N ASP A 52 8.416 -11.386 2.156 1.00 0.00 N ATOM 802 CA ASP A 52 9.707 -11.132 1.551 1.00 0.00 C ATOM 803 C ASP A 52 9.793 -11.815 0.190 1.00 0.00 C ATOM 804 O ASP A 52 10.867 -11.907 -0.405 1.00 0.00 O ATOM 805 CB ASP A 52 10.842 -11.619 2.455 1.00 0.00 C ATOM 806 CG ASP A 52 10.677 -13.071 2.856 1.00 0.00 C ATOM 807 OD1 ASP A 52 10.810 -13.947 1.975 1.00 0.00 O ATOM 808 OD2 ASP A 52 10.415 -13.332 4.049 1.00 0.00 O ATOM 0 H ASP A 52 8.339 -12.280 2.640 1.00 0.00 H new ATOM 0 HA ASP A 52 9.814 -10.055 1.418 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.794 -11.493 1.939 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.881 -10.999 3.351 1.00 0.00 H new ATOM 813 N ASP A 53 8.648 -12.279 -0.300 1.00 0.00 N ATOM 814 CA ASP A 53 8.574 -12.937 -1.593 1.00 0.00 C ATOM 815 C ASP A 53 7.670 -12.146 -2.538 1.00 0.00 C ATOM 816 O ASP A 53 7.484 -12.525 -3.694 1.00 0.00 O ATOM 817 CB ASP A 53 8.052 -14.366 -1.436 1.00 0.00 C ATOM 818 CG ASP A 53 9.031 -15.260 -0.700 1.00 0.00 C ATOM 819 OD1 ASP A 53 8.986 -15.288 0.547 1.00 0.00 O ATOM 820 OD2 ASP A 53 9.843 -15.930 -1.373 1.00 0.00 O ATOM 0 H ASP A 53 7.754 -12.209 0.186 1.00 0.00 H new ATOM 0 HA ASP A 53 9.577 -12.978 -2.019 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.105 -14.347 -0.897 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.850 -14.787 -2.421 1.00 0.00 H new ATOM 825 N LYS A 54 7.115 -11.040 -2.039 1.00 0.00 N ATOM 826 CA LYS A 54 6.240 -10.195 -2.845 1.00 0.00 C ATOM 827 C LYS A 54 7.029 -9.046 -3.466 1.00 0.00 C ATOM 828 O LYS A 54 6.621 -8.465 -4.472 1.00 0.00 O ATOM 829 CB LYS A 54 5.091 -9.642 -1.995 1.00 0.00 C ATOM 830 CG LYS A 54 4.490 -10.657 -1.034 1.00 0.00 C ATOM 831 CD LYS A 54 3.272 -11.342 -1.631 1.00 0.00 C ATOM 832 CE LYS A 54 3.137 -12.773 -1.134 1.00 0.00 C ATOM 833 NZ LYS A 54 2.956 -12.836 0.342 1.00 0.00 N ATOM 0 H LYS A 54 7.257 -10.712 -1.084 1.00 0.00 H new ATOM 0 HA LYS A 54 5.821 -10.806 -3.645 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.453 -8.787 -1.425 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.307 -9.275 -2.657 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.240 -11.406 -0.779 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.209 -10.158 -0.106 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.374 -10.780 -1.373 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.348 -11.339 -2.718 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.287 -13.248 -1.624 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.025 -13.340 -1.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.462 -13.663 0.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.335 -11.970 0.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.943 -12.919 0.564 1.00 0.00 H new ATOM 847 N ILE A 55 8.168 -8.727 -2.857 1.00 0.00 N ATOM 848 CA ILE A 55 9.029 -7.656 -3.336 1.00 0.00 C ATOM 849 C ILE A 55 10.033 -8.182 -4.371 1.00 0.00 C ATOM 850 O ILE A 55 10.572 -7.416 -5.169 1.00 0.00 O ATOM 851 CB ILE A 55 9.773 -7.001 -2.157 1.00 0.00 C ATOM 852 CG1 ILE A 55 8.775 -6.531 -1.096 1.00 0.00 C ATOM 853 CG2 ILE A 55 10.646 -5.851 -2.623 1.00 0.00 C ATOM 854 CD1 ILE A 55 8.717 -7.428 0.118 1.00 0.00 C ATOM 0 H ILE A 55 8.516 -9.201 -2.024 1.00 0.00 H new ATOM 0 HA ILE A 55 8.403 -6.906 -3.819 1.00 0.00 H new ATOM 0 HB ILE A 55 10.428 -7.750 -1.713 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.041 -5.522 -0.780 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.782 -6.473 -1.543 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.157 -5.411 -1.766 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.384 -6.220 -3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.025 -5.094 -3.103 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.989 -7.034 0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.421 -8.432 -0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.699 -7.466 0.589 1.00 0.00 H new ATOM 866 N SER A 56 10.235 -9.503 -4.377 1.00 0.00 N ATOM 867 CA SER A 56 11.125 -10.157 -5.348 1.00 0.00 C ATOM 868 C SER A 56 10.320 -10.423 -6.577 1.00 0.00 C ATOM 869 O SER A 56 10.809 -10.501 -7.702 1.00 0.00 O ATOM 870 CB SER A 56 11.683 -11.483 -4.809 1.00 0.00 C ATOM 871 OG SER A 56 12.349 -12.206 -5.829 1.00 0.00 O ATOM 0 H SER A 56 9.793 -10.145 -3.719 1.00 0.00 H new ATOM 0 HA SER A 56 11.976 -9.507 -5.553 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.373 -11.285 -3.989 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.870 -12.085 -4.403 1.00 0.00 H new ATOM 0 HG SER A 56 12.697 -13.045 -5.461 1.00 0.00 H new ATOM 877 N HIS A 57 9.059 -10.528 -6.290 1.00 0.00 N ATOM 878 CA HIS A 57 8.021 -10.751 -7.240 1.00 0.00 C ATOM 879 C HIS A 57 7.797 -9.465 -8.026 1.00 0.00 C ATOM 880 O HIS A 57 7.637 -9.473 -9.248 1.00 0.00 O ATOM 881 CB HIS A 57 6.803 -11.143 -6.425 1.00 0.00 C ATOM 882 CG HIS A 57 5.569 -11.399 -7.235 1.00 0.00 C ATOM 883 ND1 HIS A 57 5.603 -11.708 -8.579 1.00 0.00 N ATOM 884 CD2 HIS A 57 4.261 -11.391 -6.885 1.00 0.00 C ATOM 885 CE1 HIS A 57 4.369 -11.879 -9.020 1.00 0.00 C ATOM 886 NE2 HIS A 57 3.537 -11.694 -8.012 1.00 0.00 N ATOM 0 H HIS A 57 8.711 -10.456 -5.334 1.00 0.00 H new ATOM 0 HA HIS A 57 8.254 -11.532 -7.964 1.00 0.00 H new ATOM 0 HB2 HIS A 57 7.038 -12.040 -5.852 1.00 0.00 H new ATOM 0 HB3 HIS A 57 6.593 -10.351 -5.706 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.862 -11.185 -5.903 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.089 -12.128 -10.033 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.521 -11.765 -8.062 1.00 0.00 H new ATOM 895 N LEU A 58 7.847 -8.355 -7.296 1.00 0.00 N ATOM 896 CA LEU A 58 7.709 -7.036 -7.887 1.00 0.00 C ATOM 897 C LEU A 58 9.031 -6.670 -8.534 1.00 0.00 C ATOM 898 O LEU A 58 9.073 -6.048 -9.596 1.00 0.00 O ATOM 899 CB LEU A 58 7.325 -6.003 -6.826 1.00 0.00 C ATOM 900 CG LEU A 58 5.847 -5.997 -6.436 1.00 0.00 C ATOM 901 CD1 LEU A 58 5.585 -4.976 -5.341 1.00 0.00 C ATOM 902 CD2 LEU A 58 4.979 -5.714 -7.653 1.00 0.00 C ATOM 0 H LEU A 58 7.984 -8.348 -6.285 1.00 0.00 H new ATOM 0 HA LEU A 58 6.916 -7.045 -8.634 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.921 -6.184 -5.931 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.593 -5.012 -7.192 1.00 0.00 H new ATOM 0 HG LEU A 58 5.588 -6.983 -6.050 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.527 -4.988 -5.078 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.180 -5.224 -4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.859 -3.983 -5.696 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.929 -5.713 -7.359 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.240 -4.741 -8.068 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.144 -6.485 -8.405 1.00 0.00 H new ATOM 914 N VAL A 59 10.114 -7.109 -7.896 1.00 0.00 N ATOM 915 CA VAL A 59 11.450 -6.882 -8.415 1.00 0.00 C ATOM 916 C VAL A 59 11.591 -7.628 -9.738 1.00 0.00 C ATOM 917 O VAL A 59 12.234 -7.155 -10.674 1.00 0.00 O ATOM 918 CB VAL A 59 12.523 -7.358 -7.402 1.00 0.00 C ATOM 919 CG1 VAL A 59 13.612 -8.181 -8.074 1.00 0.00 C ATOM 920 CG2 VAL A 59 13.123 -6.172 -6.661 1.00 0.00 C ATOM 0 H VAL A 59 10.086 -7.625 -7.017 1.00 0.00 H new ATOM 0 HA VAL A 59 11.603 -5.815 -8.576 1.00 0.00 H new ATOM 0 HB VAL A 59 12.026 -8.006 -6.680 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.343 -8.494 -7.329 1.00 0.00 H new ATOM 0 HG12 VAL A 59 13.168 -9.061 -8.539 1.00 0.00 H new ATOM 0 HG13 VAL A 59 14.106 -7.578 -8.836 1.00 0.00 H new ATOM 0 HG21 VAL A 59 13.874 -6.526 -5.955 1.00 0.00 H new ATOM 0 HG22 VAL A 59 13.589 -5.494 -7.376 1.00 0.00 H new ATOM 0 HG23 VAL A 59 12.337 -5.645 -6.121 1.00 0.00 H new ATOM 930 N GLN A 60 10.963 -8.802 -9.797 1.00 0.00 N ATOM 931 CA GLN A 60 10.983 -9.637 -10.989 1.00 0.00 C ATOM 932 C GLN A 60 10.260 -8.950 -12.134 1.00 0.00 C ATOM 933 O GLN A 60 10.594 -9.146 -13.302 1.00 0.00 O ATOM 934 CB GLN A 60 10.326 -10.989 -10.701 1.00 0.00 C ATOM 935 CG GLN A 60 11.214 -12.178 -11.021 1.00 0.00 C ATOM 936 CD GLN A 60 11.028 -13.325 -10.048 1.00 0.00 C ATOM 937 OE1 GLN A 60 11.282 -13.188 -8.852 1.00 0.00 O ATOM 938 NE2 GLN A 60 10.583 -14.468 -10.559 1.00 0.00 N ATOM 0 H GLN A 60 10.430 -9.196 -9.022 1.00 0.00 H new ATOM 0 HA GLN A 60 12.022 -9.798 -11.275 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.044 -11.030 -9.649 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.406 -11.067 -11.280 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.999 -12.526 -12.031 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.257 -11.861 -11.008 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.385 -14.538 -11.557 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.439 -15.276 -9.953 1.00 0.00 H new ATOM 947 N ASN A 61 9.258 -8.157 -11.792 1.00 0.00 N ATOM 948 CA ASN A 61 8.475 -7.456 -12.796 1.00 0.00 C ATOM 949 C ASN A 61 9.190 -6.196 -13.283 1.00 0.00 C ATOM 950 O ASN A 61 9.115 -5.851 -14.462 1.00 0.00 O ATOM 951 CB ASN A 61 7.098 -7.118 -12.229 1.00 0.00 C ATOM 952 CG ASN A 61 6.245 -8.359 -12.009 1.00 0.00 C ATOM 953 OD1 ASN A 61 6.882 -9.491 -11.690 1.00 0.00 O flip ATOM 954 ND2 ASN A 61 5.021 -8.305 -12.124 1.00 0.00 N flip ATOM 0 H ASN A 61 8.968 -7.983 -10.830 1.00 0.00 H new ATOM 0 HA ASN A 61 8.353 -8.110 -13.659 1.00 0.00 H new ATOM 0 HB2 ASN A 61 7.216 -6.589 -11.284 1.00 0.00 H new ATOM 0 HB3 ASN A 61 6.583 -6.441 -12.911 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.570 -7.423 -12.369 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.457 -9.142 -11.975 1.00 0.00 H new ATOM 961 N VAL A 62 9.884 -5.514 -12.370 1.00 0.00 N ATOM 962 CA VAL A 62 10.620 -4.292 -12.700 1.00 0.00 C ATOM 963 C VAL A 62 9.806 -3.378 -13.607 1.00 0.00 C ATOM 964 O VAL A 62 10.271 -2.949 -14.664 1.00 0.00 O ATOM 965 CB VAL A 62 11.979 -4.597 -13.368 1.00 0.00 C ATOM 966 CG1 VAL A 62 12.965 -5.150 -12.351 1.00 0.00 C ATOM 967 CG2 VAL A 62 11.810 -5.558 -14.535 1.00 0.00 C ATOM 0 H VAL A 62 9.952 -5.790 -11.390 1.00 0.00 H new ATOM 0 HA VAL A 62 10.805 -3.783 -11.754 1.00 0.00 H new ATOM 0 HB VAL A 62 12.380 -3.662 -13.759 1.00 0.00 H new ATOM 0 HG11 VAL A 62 13.916 -5.358 -12.842 1.00 0.00 H new ATOM 0 HG12 VAL A 62 13.119 -4.418 -11.558 1.00 0.00 H new ATOM 0 HG13 VAL A 62 12.568 -6.071 -11.923 1.00 0.00 H new ATOM 0 HG21 VAL A 62 12.782 -5.756 -14.987 1.00 0.00 H new ATOM 0 HG22 VAL A 62 11.379 -6.493 -14.177 1.00 0.00 H new ATOM 0 HG23 VAL A 62 11.147 -5.115 -15.278 1.00 0.00 H new ATOM 977 N LYS A 63 8.585 -3.087 -13.180 1.00 0.00 N ATOM 978 CA LYS A 63 7.687 -2.224 -13.944 1.00 0.00 C ATOM 979 C LYS A 63 8.187 -0.778 -13.979 1.00 0.00 C ATOM 980 O LYS A 63 7.635 0.055 -14.697 1.00 0.00 O ATOM 981 CB LYS A 63 6.276 -2.275 -13.354 1.00 0.00 C ATOM 982 CG LYS A 63 5.459 -3.469 -13.828 1.00 0.00 C ATOM 983 CD LYS A 63 5.375 -3.522 -15.346 1.00 0.00 C ATOM 984 CE LYS A 63 4.097 -4.203 -15.810 1.00 0.00 C ATOM 985 NZ LYS A 63 3.538 -3.559 -17.030 1.00 0.00 N ATOM 0 H LYS A 63 8.190 -3.436 -12.306 1.00 0.00 H new ATOM 0 HA LYS A 63 7.665 -2.595 -14.969 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.347 -2.303 -12.267 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.749 -1.358 -13.616 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.909 -4.389 -13.455 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.454 -3.413 -13.409 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.416 -2.510 -15.749 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.238 -4.058 -15.741 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.299 -5.254 -16.014 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.357 -4.170 -15.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.668 -4.052 -17.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.321 -2.562 -16.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.234 -3.613 -17.801 1.00 0.00 H new ATOM 999 N ASP A 64 9.230 -0.479 -13.204 1.00 0.00 N ATOM 1000 CA ASP A 64 9.789 0.870 -13.159 1.00 0.00 C ATOM 1001 C ASP A 64 8.834 1.821 -12.444 1.00 0.00 C ATOM 1002 O ASP A 64 9.137 2.324 -11.362 1.00 0.00 O ATOM 1003 CB ASP A 64 10.082 1.379 -14.574 1.00 0.00 C ATOM 1004 CG ASP A 64 11.527 1.807 -14.748 1.00 0.00 C ATOM 1005 OD1 ASP A 64 12.423 1.088 -14.259 1.00 0.00 O ATOM 1006 OD2 ASP A 64 11.761 2.861 -15.376 1.00 0.00 O ATOM 0 H ASP A 64 9.703 -1.152 -12.601 1.00 0.00 H new ATOM 0 HA ASP A 64 10.725 0.833 -12.602 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.849 0.595 -15.295 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.427 2.221 -14.797 1.00 0.00 H new ATOM 1011 N LYS A 65 7.674 2.052 -13.050 1.00 0.00 N ATOM 1012 CA LYS A 65 6.667 2.930 -12.466 1.00 0.00 C ATOM 1013 C LYS A 65 5.955 2.224 -11.330 1.00 0.00 C ATOM 1014 O LYS A 65 5.088 1.380 -11.552 1.00 0.00 O ATOM 1015 CB LYS A 65 5.650 3.356 -13.516 1.00 0.00 C ATOM 1016 CG LYS A 65 5.877 4.755 -14.062 1.00 0.00 C ATOM 1017 CD LYS A 65 6.918 4.763 -15.172 1.00 0.00 C ATOM 1018 CE LYS A 65 6.425 5.521 -16.395 1.00 0.00 C ATOM 1019 NZ LYS A 65 5.757 6.800 -16.026 1.00 0.00 N ATOM 0 H LYS A 65 7.408 1.643 -13.946 1.00 0.00 H new ATOM 0 HA LYS A 65 7.170 3.818 -12.083 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.676 2.646 -14.342 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.651 3.304 -13.082 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.937 5.155 -14.442 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.200 5.413 -13.255 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.838 5.220 -14.806 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.161 3.738 -15.452 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.266 5.729 -17.056 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.728 4.896 -16.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.903 7.499 -16.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.738 6.635 -15.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.163 7.160 -15.139 1.00 0.00 H new ATOM 1033 N ASP A 66 6.320 2.581 -10.116 1.00 0.00 N ATOM 1034 CA ASP A 66 5.702 1.980 -8.946 1.00 0.00 C ATOM 1035 C ASP A 66 5.789 2.862 -7.707 1.00 0.00 C ATOM 1036 O ASP A 66 6.865 3.131 -7.187 1.00 0.00 O ATOM 1037 CB ASP A 66 6.352 0.625 -8.658 1.00 0.00 C ATOM 1038 CG ASP A 66 5.420 -0.322 -7.928 1.00 0.00 C ATOM 1039 OD1 ASP A 66 4.451 -0.801 -8.553 1.00 0.00 O ATOM 1040 OD2 ASP A 66 5.660 -0.586 -6.731 1.00 0.00 O ATOM 0 H ASP A 66 7.036 3.279 -9.911 1.00 0.00 H new ATOM 0 HA ASP A 66 4.644 1.855 -9.175 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.666 0.169 -9.597 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.251 0.777 -8.061 1.00 0.00 H new ATOM 1045 N THR A 67 4.628 3.245 -7.206 1.00 0.00 N ATOM 1046 CA THR A 67 4.523 4.025 -5.985 1.00 0.00 C ATOM 1047 C THR A 67 3.682 3.219 -5.013 1.00 0.00 C ATOM 1048 O THR A 67 2.614 2.732 -5.384 1.00 0.00 O ATOM 1049 CB THR A 67 3.893 5.396 -6.254 1.00 0.00 C ATOM 1050 OG1 THR A 67 4.726 6.176 -7.092 1.00 0.00 O ATOM 1051 CG2 THR A 67 3.633 6.197 -4.998 1.00 0.00 C ATOM 0 H THR A 67 3.729 3.024 -7.635 1.00 0.00 H new ATOM 0 HA THR A 67 5.512 4.217 -5.569 1.00 0.00 H new ATOM 0 HB THR A 67 2.937 5.181 -6.732 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.180 6.622 -7.772 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.187 7.155 -5.264 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.951 5.646 -4.350 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.573 6.367 -4.474 1.00 0.00 H new ATOM 1059 N LEU A 68 4.152 3.037 -3.790 1.00 0.00 N ATOM 1060 CA LEU A 68 3.398 2.238 -2.838 1.00 0.00 C ATOM 1061 C LEU A 68 3.243 2.917 -1.486 1.00 0.00 C ATOM 1062 O LEU A 68 4.217 3.355 -0.878 1.00 0.00 O ATOM 1063 CB LEU A 68 4.069 0.873 -2.661 1.00 0.00 C ATOM 1064 CG LEU A 68 3.479 -0.258 -3.510 1.00 0.00 C ATOM 1065 CD1 LEU A 68 3.527 0.100 -4.988 1.00 0.00 C ATOM 1066 CD2 LEU A 68 4.217 -1.564 -3.252 1.00 0.00 C ATOM 0 H LEU A 68 5.029 3.421 -3.439 1.00 0.00 H new ATOM 0 HA LEU A 68 2.396 2.115 -3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.127 0.972 -2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.006 0.588 -1.611 1.00 0.00 H new ATOM 0 HG LEU A 68 2.436 -0.391 -3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.104 -0.716 -5.574 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.950 1.009 -5.161 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.562 0.264 -5.289 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.783 -2.354 -3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.270 -1.444 -3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.128 -1.830 -2.199 1.00 0.00 H new ATOM 1078 N VAL A 69 2.005 2.945 -1.001 1.00 0.00 N ATOM 1079 CA VAL A 69 1.709 3.506 0.303 1.00 0.00 C ATOM 1080 C VAL A 69 1.029 2.419 1.116 1.00 0.00 C ATOM 1081 O VAL A 69 0.019 1.873 0.688 1.00 0.00 O ATOM 1082 CB VAL A 69 0.807 4.755 0.202 1.00 0.00 C ATOM 1083 CG1 VAL A 69 -0.369 4.491 -0.723 1.00 0.00 C ATOM 1084 CG2 VAL A 69 0.327 5.197 1.577 1.00 0.00 C ATOM 0 H VAL A 69 1.191 2.583 -1.498 1.00 0.00 H new ATOM 0 HA VAL A 69 2.632 3.834 0.781 1.00 0.00 H new ATOM 0 HB VAL A 69 1.399 5.567 -0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.993 5.383 -0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.000 4.240 -1.718 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.958 3.660 -0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.306 6.078 1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.244 4.392 2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.187 5.438 2.202 1.00 0.00 H new ATOM 1094 N PHE A 70 1.604 2.053 2.252 1.00 0.00 N ATOM 1095 CA PHE A 70 1.030 0.959 3.035 1.00 0.00 C ATOM 1096 C PHE A 70 0.239 1.440 4.240 1.00 0.00 C ATOM 1097 O PHE A 70 0.493 2.516 4.781 1.00 0.00 O ATOM 1098 CB PHE A 70 2.140 0.012 3.494 1.00 0.00 C ATOM 1099 CG PHE A 70 3.380 0.727 3.948 1.00 0.00 C ATOM 1100 CD1 PHE A 70 3.358 1.526 5.078 1.00 0.00 C ATOM 1101 CD2 PHE A 70 4.565 0.607 3.238 1.00 0.00 C ATOM 1102 CE1 PHE A 70 4.493 2.193 5.495 1.00 0.00 C ATOM 1103 CE2 PHE A 70 5.703 1.271 3.650 1.00 0.00 C ATOM 1104 CZ PHE A 70 5.667 2.065 4.779 1.00 0.00 C ATOM 0 H PHE A 70 2.442 2.480 2.647 1.00 0.00 H new ATOM 0 HA PHE A 70 0.330 0.438 2.382 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.766 -0.607 4.310 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.396 -0.661 2.675 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.442 1.629 5.641 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.598 -0.012 2.354 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.463 2.813 6.379 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.621 1.169 3.090 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.556 2.586 5.102 1.00 0.00 H new ATOM 1114 N HIS A 71 -0.712 0.592 4.653 1.00 0.00 N ATOM 1115 CA HIS A 71 -1.584 0.843 5.808 1.00 0.00 C ATOM 1116 C HIS A 71 -2.937 0.158 5.611 1.00 0.00 C ATOM 1117 O HIS A 71 -3.117 -0.985 6.024 1.00 0.00 O ATOM 1118 CB HIS A 71 -1.792 2.341 6.073 1.00 0.00 C ATOM 1119 CG HIS A 71 -1.144 2.804 7.336 1.00 0.00 C ATOM 1120 ND1 HIS A 71 -1.652 2.516 8.582 1.00 0.00 N ATOM 1121 CD2 HIS A 71 -0.029 3.538 7.546 1.00 0.00 C ATOM 1122 CE1 HIS A 71 -0.882 3.059 9.507 1.00 0.00 C ATOM 1123 NE2 HIS A 71 0.111 3.685 8.905 1.00 0.00 N ATOM 0 H HIS A 71 -0.900 -0.297 4.190 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.083 0.424 6.680 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.392 2.912 5.235 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.860 2.551 6.121 1.00 0.00 H new ATOM 0 HD2 HIS A 71 0.629 3.935 6.787 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.038 3.001 10.574 1.00 0.00 H new ATOM 0 HE2 HIS A 71 0.861 4.195 9.372 1.00 0.00 H new ATOM 1132 N SER A 72 -3.877 0.872 4.975 1.00 0.00 N ATOM 1133 CA SER A 72 -5.232 0.368 4.702 1.00 0.00 C ATOM 1134 C SER A 72 -5.493 -0.995 5.343 1.00 0.00 C ATOM 1135 O SER A 72 -5.597 -2.011 4.654 1.00 0.00 O ATOM 1136 CB SER A 72 -5.469 0.292 3.192 1.00 0.00 C ATOM 1137 OG SER A 72 -6.387 1.287 2.772 1.00 0.00 O ATOM 0 H SER A 72 -3.719 1.820 4.634 1.00 0.00 H new ATOM 0 HA SER A 72 -5.932 1.072 5.151 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.523 0.419 2.665 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.851 -0.695 2.929 1.00 0.00 H new ATOM 0 HG SER A 72 -6.521 1.220 1.804 1.00 0.00 H new ATOM 1143 N ALA A 73 -5.599 -1.005 6.666 1.00 0.00 N ATOM 1144 CA ALA A 73 -5.850 -2.236 7.400 1.00 0.00 C ATOM 1145 C ALA A 73 -6.054 -1.955 8.885 1.00 0.00 C ATOM 1146 O ALA A 73 -6.959 -2.507 9.511 1.00 0.00 O ATOM 1147 CB ALA A 73 -4.708 -3.220 7.188 1.00 0.00 C ATOM 0 H ALA A 73 -5.515 -0.174 7.251 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.767 -2.682 7.016 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.909 -4.136 7.743 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.619 -3.451 6.126 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.777 -2.778 7.543 1.00 0.00 H new ATOM 1153 N LEU A 74 -5.212 -1.089 9.449 1.00 0.00 N ATOM 1154 CA LEU A 74 -5.316 -0.740 10.862 1.00 0.00 C ATOM 1155 C LEU A 74 -5.228 0.771 11.074 1.00 0.00 C ATOM 1156 O LEU A 74 -5.939 1.324 11.913 1.00 0.00 O ATOM 1157 CB LEU A 74 -4.240 -1.454 11.697 1.00 0.00 C ATOM 1158 CG LEU A 74 -2.947 -1.837 10.967 1.00 0.00 C ATOM 1159 CD1 LEU A 74 -3.227 -2.788 9.815 1.00 0.00 C ATOM 1160 CD2 LEU A 74 -2.211 -0.597 10.477 1.00 0.00 C ATOM 0 H LEU A 74 -4.455 -0.620 8.951 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.296 -1.077 11.201 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.979 -0.811 12.538 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.678 -2.361 12.113 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.305 -2.354 11.680 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.291 -3.041 9.317 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.692 -3.697 10.198 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.899 -2.309 9.103 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.298 -0.896 9.963 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.850 -0.043 9.790 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.958 0.036 11.328 1.00 0.00 H new ATOM 1172 N SER A 75 -4.360 1.440 10.314 1.00 0.00 N ATOM 1173 CA SER A 75 -4.201 2.888 10.436 1.00 0.00 C ATOM 1174 C SER A 75 -4.032 3.314 11.893 1.00 0.00 C ATOM 1175 O SER A 75 -4.405 4.426 12.268 1.00 0.00 O ATOM 1176 CB SER A 75 -5.407 3.601 9.825 1.00 0.00 C ATOM 1177 OG SER A 75 -6.045 2.784 8.858 1.00 0.00 O ATOM 0 H SER A 75 -3.761 1.005 9.612 1.00 0.00 H new ATOM 0 HA SER A 75 -3.297 3.169 9.896 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.116 3.862 10.611 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.086 4.534 9.363 1.00 0.00 H new ATOM 0 HG SER A 75 -6.967 2.604 9.138 1.00 0.00 H new ATOM 1183 N GLN A 76 -3.471 2.429 12.713 1.00 0.00 N ATOM 1184 CA GLN A 76 -3.265 2.733 14.126 1.00 0.00 C ATOM 1185 C GLN A 76 -1.782 2.762 14.490 1.00 0.00 C ATOM 1186 O GLN A 76 -1.357 3.586 15.301 1.00 0.00 O ATOM 1187 CB GLN A 76 -3.997 1.718 15.006 1.00 0.00 C ATOM 1188 CG GLN A 76 -3.484 0.297 14.856 1.00 0.00 C ATOM 1189 CD GLN A 76 -4.594 -0.731 14.941 1.00 0.00 C ATOM 1190 OE1 GLN A 76 -4.496 -1.708 15.682 1.00 0.00 O ATOM 1191 NE2 GLN A 76 -5.660 -0.513 14.179 1.00 0.00 N ATOM 0 H GLN A 76 -3.153 1.503 12.427 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.675 3.727 14.306 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.903 2.020 16.049 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.059 1.739 14.763 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.973 0.197 13.898 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -2.746 0.096 15.633 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.698 0.311 13.579 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.440 -1.170 14.194 1.00 0.00 H new ATOM 1200 N VAL A 77 -0.994 1.866 13.896 1.00 0.00 N ATOM 1201 CA VAL A 77 0.439 1.816 14.186 1.00 0.00 C ATOM 1202 C VAL A 77 1.171 0.731 13.389 1.00 0.00 C ATOM 1203 O VAL A 77 2.392 0.781 13.253 1.00 0.00 O ATOM 1204 CB VAL A 77 0.693 1.579 15.689 1.00 0.00 C ATOM 1205 CG1 VAL A 77 0.207 0.200 16.108 1.00 0.00 C ATOM 1206 CG2 VAL A 77 2.168 1.753 16.016 1.00 0.00 C ATOM 0 H VAL A 77 -1.317 1.174 13.220 1.00 0.00 H new ATOM 0 HA VAL A 77 0.834 2.786 13.886 1.00 0.00 H new ATOM 0 HB VAL A 77 0.128 2.322 16.252 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.396 0.055 17.172 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.863 0.117 15.915 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.738 -0.562 15.538 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.327 1.582 17.081 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.755 1.036 15.441 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.480 2.766 15.761 1.00 0.00 H new ATOM 1216 N ARG A 78 0.439 -0.256 12.882 1.00 0.00 N ATOM 1217 CA ARG A 78 1.054 -1.345 12.123 1.00 0.00 C ATOM 1218 C ARG A 78 1.564 -0.870 10.768 1.00 0.00 C ATOM 1219 O ARG A 78 2.483 -1.467 10.210 1.00 0.00 O ATOM 1220 CB ARG A 78 0.073 -2.503 11.945 1.00 0.00 C ATOM 1221 CG ARG A 78 0.724 -3.872 12.035 1.00 0.00 C ATOM 1222 CD ARG A 78 0.478 -4.517 13.389 1.00 0.00 C ATOM 1223 NE ARG A 78 1.333 -5.681 13.605 1.00 0.00 N ATOM 1224 CZ ARG A 78 1.180 -6.841 12.969 1.00 0.00 C ATOM 1225 NH1 ARG A 78 0.205 -6.995 12.081 1.00 0.00 N ATOM 1226 NH2 ARG A 78 2.003 -7.849 13.223 1.00 0.00 N ATOM 0 H ARG A 78 -0.574 -0.326 12.981 1.00 0.00 H new ATOM 0 HA ARG A 78 1.911 -1.697 12.697 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.705 -2.429 12.705 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.418 -2.407 10.977 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.331 -4.515 11.248 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.797 -3.778 11.865 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.657 -3.785 14.177 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.567 -4.817 13.463 1.00 0.00 H new ATOM 0 HE ARG A 78 2.091 -5.601 14.282 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.431 -6.223 11.883 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.092 -7.886 11.597 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.753 -7.736 13.905 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.886 -8.738 12.736 1.00 0.00 H new ATOM 1240 N GLY A 79 0.976 0.201 10.239 1.00 0.00 N ATOM 1241 CA GLY A 79 1.417 0.722 8.952 1.00 0.00 C ATOM 1242 C GLY A 79 2.935 0.688 8.815 1.00 0.00 C ATOM 1243 O GLY A 79 3.469 0.010 7.939 1.00 0.00 O ATOM 0 H GLY A 79 0.209 0.715 10.673 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.967 0.137 8.150 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.065 1.747 8.835 1.00 0.00 H new ATOM 1247 N PRO A 80 3.656 1.400 9.707 1.00 0.00 N ATOM 1248 CA PRO A 80 5.115 1.417 9.694 1.00 0.00 C ATOM 1249 C PRO A 80 5.662 0.002 9.791 1.00 0.00 C ATOM 1250 O PRO A 80 6.684 -0.322 9.186 1.00 0.00 O ATOM 1251 CB PRO A 80 5.500 2.240 10.930 1.00 0.00 C ATOM 1252 CG PRO A 80 4.264 2.306 11.762 1.00 0.00 C ATOM 1253 CD PRO A 80 3.111 2.215 10.803 1.00 0.00 C ATOM 0 HA PRO A 80 5.522 1.841 8.776 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.317 1.769 11.477 1.00 0.00 H new ATOM 0 HB3 PRO A 80 5.838 3.237 10.648 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.236 1.490 12.484 1.00 0.00 H new ATOM 0 HG3 PRO A 80 4.226 3.235 12.330 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.241 1.745 11.261 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.796 3.199 10.456 1.00 0.00 H new ATOM 1261 N THR A 81 4.947 -0.856 10.527 1.00 0.00 N ATOM 1262 CA THR A 81 5.351 -2.249 10.653 1.00 0.00 C ATOM 1263 C THR A 81 5.370 -2.872 9.267 1.00 0.00 C ATOM 1264 O THR A 81 6.228 -3.695 8.950 1.00 0.00 O ATOM 1265 CB THR A 81 4.397 -3.017 11.565 1.00 0.00 C ATOM 1266 OG1 THR A 81 4.173 -2.314 12.775 1.00 0.00 O ATOM 1267 CG2 THR A 81 4.897 -4.398 11.927 1.00 0.00 C ATOM 0 H THR A 81 4.098 -0.609 11.036 1.00 0.00 H new ATOM 0 HA THR A 81 6.344 -2.298 11.101 1.00 0.00 H new ATOM 0 HB THR A 81 3.475 -3.116 10.992 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.691 -2.891 13.404 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.172 -4.889 12.576 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.028 -4.987 11.019 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.852 -4.315 12.447 1.00 0.00 H new ATOM 1275 N CYS A 82 4.432 -2.432 8.425 1.00 0.00 N ATOM 1276 CA CYS A 82 4.362 -2.906 7.051 1.00 0.00 C ATOM 1277 C CYS A 82 5.660 -2.532 6.356 1.00 0.00 C ATOM 1278 O CYS A 82 6.237 -3.321 5.607 1.00 0.00 O ATOM 1279 CB CYS A 82 3.173 -2.279 6.320 1.00 0.00 C ATOM 1280 SG CYS A 82 1.634 -2.284 7.269 1.00 0.00 S ATOM 0 H CYS A 82 3.715 -1.751 8.674 1.00 0.00 H new ATOM 0 HA CYS A 82 4.224 -3.987 7.041 1.00 0.00 H new ATOM 0 HB2 CYS A 82 3.423 -1.251 6.059 1.00 0.00 H new ATOM 0 HB3 CYS A 82 3.012 -2.815 5.385 1.00 0.00 H new ATOM 0 HG CYS A 82 1.890 -2.001 8.512 1.00 0.00 H new ATOM 1286 N ALA A 83 6.127 -1.319 6.650 1.00 0.00 N ATOM 1287 CA ALA A 83 7.380 -0.838 6.092 1.00 0.00 C ATOM 1288 C ALA A 83 8.517 -1.706 6.596 1.00 0.00 C ATOM 1289 O ALA A 83 9.468 -1.993 5.868 1.00 0.00 O ATOM 1290 CB ALA A 83 7.611 0.621 6.458 1.00 0.00 C ATOM 0 H ALA A 83 5.656 -0.658 7.268 1.00 0.00 H new ATOM 0 HA ALA A 83 7.335 -0.901 5.005 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.555 0.959 6.029 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.796 1.228 6.065 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.648 0.723 7.543 1.00 0.00 H new ATOM 1296 N ARG A 84 8.392 -2.158 7.842 1.00 0.00 N ATOM 1297 CA ARG A 84 9.392 -3.036 8.423 1.00 0.00 C ATOM 1298 C ARG A 84 9.466 -4.302 7.586 1.00 0.00 C ATOM 1299 O ARG A 84 10.534 -4.879 7.401 1.00 0.00 O ATOM 1300 CB ARG A 84 9.058 -3.365 9.880 1.00 0.00 C ATOM 1301 CG ARG A 84 8.898 -2.132 10.754 1.00 0.00 C ATOM 1302 CD ARG A 84 10.109 -1.217 10.659 1.00 0.00 C ATOM 1303 NE ARG A 84 9.848 -0.050 9.819 1.00 0.00 N ATOM 1304 CZ ARG A 84 10.635 1.024 9.776 1.00 0.00 C ATOM 1305 NH1 ARG A 84 11.733 1.080 10.519 1.00 0.00 N ATOM 1306 NH2 ARG A 84 10.323 2.043 8.988 1.00 0.00 N ATOM 0 H ARG A 84 7.613 -1.930 8.460 1.00 0.00 H new ATOM 0 HA ARG A 84 10.360 -2.536 8.422 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.136 -3.946 9.912 1.00 0.00 H new ATOM 0 HB3 ARG A 84 9.846 -3.995 10.293 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.004 -1.586 10.453 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.752 -2.436 11.790 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.394 -0.888 11.658 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.954 -1.774 10.254 1.00 0.00 H new ATOM 0 HE ARG A 84 9.014 -0.058 9.231 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.978 0.298 11.127 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.332 1.905 10.482 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.480 2.005 8.415 1.00 0.00 H new ATOM 0 HH22 ARG A 84 10.926 2.865 8.955 1.00 0.00 H new ATOM 1320 N ARG A 85 8.311 -4.702 7.052 1.00 0.00 N ATOM 1321 CA ARG A 85 8.234 -5.872 6.193 1.00 0.00 C ATOM 1322 C ARG A 85 9.066 -5.630 4.945 1.00 0.00 C ATOM 1323 O ARG A 85 9.812 -6.503 4.506 1.00 0.00 O ATOM 1324 CB ARG A 85 6.781 -6.171 5.814 1.00 0.00 C ATOM 1325 CG ARG A 85 5.807 -6.022 6.973 1.00 0.00 C ATOM 1326 CD ARG A 85 6.258 -6.809 8.192 1.00 0.00 C ATOM 1327 NE ARG A 85 5.205 -7.684 8.697 1.00 0.00 N ATOM 1328 CZ ARG A 85 4.062 -7.244 9.217 1.00 0.00 C ATOM 1329 NH1 ARG A 85 3.825 -5.940 9.309 1.00 0.00 N ATOM 1330 NH2 ARG A 85 3.152 -8.107 9.647 1.00 0.00 N ATOM 0 H ARG A 85 7.420 -4.230 7.202 1.00 0.00 H new ATOM 0 HA ARG A 85 8.625 -6.736 6.730 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.479 -5.502 5.008 1.00 0.00 H new ATOM 0 HB3 ARG A 85 6.717 -7.187 5.425 1.00 0.00 H new ATOM 0 HG2 ARG A 85 5.712 -4.968 7.235 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.819 -6.364 6.664 1.00 0.00 H new ATOM 0 HD2 ARG A 85 7.133 -7.406 7.935 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.563 -6.118 8.978 1.00 0.00 H new ATOM 0 HE ARG A 85 5.354 -8.692 8.649 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.521 -5.271 8.980 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.947 -5.608 9.708 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.328 -9.109 9.579 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.276 -7.768 10.045 1.00 0.00 H new ATOM 1344 N LEU A 86 8.970 -4.414 4.396 1.00 0.00 N ATOM 1345 CA LEU A 86 9.765 -4.069 3.224 1.00 0.00 C ATOM 1346 C LEU A 86 11.236 -4.245 3.576 1.00 0.00 C ATOM 1347 O LEU A 86 12.033 -4.751 2.786 1.00 0.00 O ATOM 1348 CB LEU A 86 9.489 -2.628 2.785 1.00 0.00 C ATOM 1349 CG LEU A 86 8.404 -2.471 1.719 1.00 0.00 C ATOM 1350 CD1 LEU A 86 7.078 -3.020 2.223 1.00 0.00 C ATOM 1351 CD2 LEU A 86 8.259 -1.011 1.318 1.00 0.00 C ATOM 0 H LEU A 86 8.362 -3.670 4.739 1.00 0.00 H new ATOM 0 HA LEU A 86 9.498 -4.722 2.393 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.203 -2.046 3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.415 -2.197 2.405 1.00 0.00 H new ATOM 0 HG LEU A 86 8.700 -3.042 0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.318 -2.900 1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.189 -4.078 2.461 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.776 -2.476 3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.483 -0.918 0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.985 -0.419 2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.205 -0.648 0.916 1.00 0.00 H new ATOM 1363 N VAL A 87 11.561 -3.854 4.805 1.00 0.00 N ATOM 1364 CA VAL A 87 12.905 -3.992 5.331 1.00 0.00 C ATOM 1365 C VAL A 87 13.254 -5.468 5.448 1.00 0.00 C ATOM 1366 O VAL A 87 14.397 -5.864 5.240 1.00 0.00 O ATOM 1367 CB VAL A 87 13.055 -3.317 6.709 1.00 0.00 C ATOM 1368 CG1 VAL A 87 14.512 -3.315 7.144 1.00 0.00 C ATOM 1369 CG2 VAL A 87 12.502 -1.900 6.675 1.00 0.00 C ATOM 0 H VAL A 87 10.899 -3.435 5.458 1.00 0.00 H new ATOM 0 HA VAL A 87 13.587 -3.495 4.641 1.00 0.00 H new ATOM 0 HB VAL A 87 12.480 -3.889 7.437 1.00 0.00 H new ATOM 0 HG11 VAL A 87 14.600 -2.835 8.119 1.00 0.00 H new ATOM 0 HG12 VAL A 87 14.873 -4.341 7.211 1.00 0.00 H new ATOM 0 HG13 VAL A 87 15.109 -2.767 6.415 1.00 0.00 H new ATOM 0 HG21 VAL A 87 12.617 -1.441 7.657 1.00 0.00 H new ATOM 0 HG22 VAL A 87 13.047 -1.314 5.934 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.445 -1.928 6.409 1.00 0.00 H new ATOM 1379 N ASN A 88 12.246 -6.279 5.785 1.00 0.00 N ATOM 1380 CA ASN A 88 12.427 -7.721 5.928 1.00 0.00 C ATOM 1381 C ASN A 88 12.943 -8.316 4.627 1.00 0.00 C ATOM 1382 O ASN A 88 13.920 -9.063 4.622 1.00 0.00 O ATOM 1383 CB ASN A 88 11.098 -8.384 6.344 1.00 0.00 C ATOM 1384 CG ASN A 88 10.614 -9.458 5.374 1.00 0.00 C ATOM 1385 OD1 ASN A 88 10.913 -10.640 5.545 1.00 0.00 O ATOM 1386 ND2 ASN A 88 9.860 -9.050 4.352 1.00 0.00 N ATOM 0 H ASN A 88 11.295 -5.957 5.964 1.00 0.00 H new ATOM 0 HA ASN A 88 13.164 -7.911 6.708 1.00 0.00 H new ATOM 0 HB2 ASN A 88 11.218 -8.828 7.332 1.00 0.00 H new ATOM 0 HB3 ASN A 88 10.331 -7.615 6.431 1.00 0.00 H new ATOM 0 HD21 ASN A 88 9.508 -9.727 3.676 1.00 0.00 H new ATOM 0 HD22 ASN A 88 9.635 -8.061 4.247 1.00 0.00 H new ATOM 1393 N TYR A 89 12.290 -7.972 3.520 1.00 0.00 N ATOM 1394 CA TYR A 89 12.711 -8.473 2.217 1.00 0.00 C ATOM 1395 C TYR A 89 14.131 -8.009 1.922 1.00 0.00 C ATOM 1396 O TYR A 89 14.982 -8.795 1.505 1.00 0.00 O ATOM 1397 CB TYR A 89 11.753 -7.998 1.123 1.00 0.00 C ATOM 1398 CG TYR A 89 12.161 -8.408 -0.277 1.00 0.00 C ATOM 1399 CD1 TYR A 89 13.306 -7.889 -0.867 1.00 0.00 C ATOM 1400 CD2 TYR A 89 11.391 -9.302 -1.014 1.00 0.00 C ATOM 1401 CE1 TYR A 89 13.676 -8.250 -2.142 1.00 0.00 C ATOM 1402 CE2 TYR A 89 11.753 -9.672 -2.297 1.00 0.00 C ATOM 1403 CZ TYR A 89 12.906 -9.137 -2.853 1.00 0.00 C ATOM 1404 OH TYR A 89 13.299 -9.483 -4.121 1.00 0.00 O ATOM 0 H TYR A 89 11.477 -7.356 3.499 1.00 0.00 H new ATOM 0 HA TYR A 89 12.691 -9.563 2.234 1.00 0.00 H new ATOM 0 HB2 TYR A 89 10.758 -8.392 1.330 1.00 0.00 H new ATOM 0 HB3 TYR A 89 11.681 -6.911 1.165 1.00 0.00 H new ATOM 0 HD1 TYR A 89 13.917 -7.190 -0.315 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.494 -9.715 -0.577 1.00 0.00 H new ATOM 0 HE1 TYR A 89 14.571 -7.836 -2.583 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.146 -10.368 -2.858 1.00 0.00 H new ATOM 0 HH TYR A 89 14.059 -10.100 -4.071 1.00 0.00 H new ATOM 1414 N LEU A 90 14.386 -6.723 2.170 1.00 0.00 N ATOM 1415 CA LEU A 90 15.716 -6.164 1.955 1.00 0.00 C ATOM 1416 C LEU A 90 16.727 -6.993 2.737 1.00 0.00 C ATOM 1417 O LEU A 90 17.816 -7.304 2.253 1.00 0.00 O ATOM 1418 CB LEU A 90 15.756 -4.699 2.405 1.00 0.00 C ATOM 1419 CG LEU A 90 17.156 -4.103 2.591 1.00 0.00 C ATOM 1420 CD1 LEU A 90 17.171 -2.637 2.188 1.00 0.00 C ATOM 1421 CD2 LEU A 90 17.617 -4.265 4.032 1.00 0.00 C ATOM 0 H LEU A 90 13.695 -6.057 2.516 1.00 0.00 H new ATOM 0 HA LEU A 90 15.963 -6.195 0.894 1.00 0.00 H new ATOM 0 HB2 LEU A 90 15.219 -4.097 1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 90 15.215 -4.612 3.347 1.00 0.00 H new ATOM 0 HG LEU A 90 17.848 -4.643 1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 90 18.173 -2.232 2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 90 16.884 -2.545 1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 90 16.466 -2.082 2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 90 18.613 -3.836 4.146 1.00 0.00 H new ATOM 0 HD22 LEU A 90 16.922 -3.751 4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 90 17.647 -5.324 4.288 1.00 0.00 H new ATOM 1433 N ASP A 91 16.326 -7.374 3.942 1.00 0.00 N ATOM 1434 CA ASP A 91 17.148 -8.202 4.805 1.00 0.00 C ATOM 1435 C ASP A 91 17.243 -9.608 4.225 1.00 0.00 C ATOM 1436 O ASP A 91 18.240 -10.307 4.412 1.00 0.00 O ATOM 1437 CB ASP A 91 16.548 -8.252 6.214 1.00 0.00 C ATOM 1438 CG ASP A 91 17.602 -8.465 7.284 1.00 0.00 C ATOM 1439 OD1 ASP A 91 18.420 -9.397 7.133 1.00 0.00 O ATOM 1440 OD2 ASP A 91 17.609 -7.700 8.271 1.00 0.00 O ATOM 0 H ASP A 91 15.425 -7.118 4.345 1.00 0.00 H new ATOM 0 HA ASP A 91 18.148 -7.773 4.867 1.00 0.00 H new ATOM 0 HB2 ASP A 91 16.015 -7.322 6.412 1.00 0.00 H new ATOM 0 HB3 ASP A 91 15.814 -9.056 6.265 1.00 0.00 H new ATOM 1445 N GLU A 92 16.189 -10.009 3.517 1.00 0.00 N ATOM 1446 CA GLU A 92 16.132 -11.324 2.901 1.00 0.00 C ATOM 1447 C GLU A 92 17.267 -11.511 1.904 1.00 0.00 C ATOM 1448 O GLU A 92 18.113 -12.385 2.085 1.00 0.00 O ATOM 1449 CB GLU A 92 14.785 -11.527 2.206 1.00 0.00 C ATOM 1450 CG GLU A 92 14.207 -12.920 2.393 1.00 0.00 C ATOM 1451 CD GLU A 92 15.186 -14.015 2.011 1.00 0.00 C ATOM 1452 OE1 GLU A 92 16.060 -14.343 2.839 1.00 0.00 O ATOM 1453 OE2 GLU A 92 15.076 -14.541 0.884 1.00 0.00 O ATOM 0 H GLU A 92 15.361 -9.435 3.358 1.00 0.00 H new ATOM 0 HA GLU A 92 16.242 -12.070 3.688 1.00 0.00 H new ATOM 0 HB2 GLU A 92 14.075 -10.794 2.588 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.903 -11.332 1.140 1.00 0.00 H new ATOM 0 HG2 GLU A 92 13.911 -13.050 3.434 1.00 0.00 H new ATOM 0 HG3 GLU A 92 13.304 -13.019 1.790 1.00 0.00 H new ATOM 1460 N LYS A 93 17.285 -10.696 0.846 1.00 0.00 N ATOM 1461 CA LYS A 93 18.339 -10.817 -0.165 1.00 0.00 C ATOM 1462 C LYS A 93 18.277 -9.705 -1.212 1.00 0.00 C ATOM 1463 O LYS A 93 18.337 -9.968 -2.413 1.00 0.00 O ATOM 1464 CB LYS A 93 18.230 -12.173 -0.862 1.00 0.00 C ATOM 1465 CG LYS A 93 19.088 -13.259 -0.231 1.00 0.00 C ATOM 1466 CD LYS A 93 19.936 -13.979 -1.268 1.00 0.00 C ATOM 1467 CE LYS A 93 21.393 -13.552 -1.190 1.00 0.00 C ATOM 1468 NZ LYS A 93 22.170 -14.398 -0.244 1.00 0.00 N ATOM 0 H LYS A 93 16.599 -9.962 0.669 1.00 0.00 H new ATOM 0 HA LYS A 93 19.294 -10.728 0.353 1.00 0.00 H new ATOM 0 HB2 LYS A 93 17.188 -12.494 -0.851 1.00 0.00 H new ATOM 0 HB3 LYS A 93 18.517 -12.058 -1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 93 19.736 -12.817 0.526 1.00 0.00 H new ATOM 0 HG3 LYS A 93 18.447 -13.979 0.279 1.00 0.00 H new ATOM 0 HD2 LYS A 93 19.863 -15.056 -1.115 1.00 0.00 H new ATOM 0 HD3 LYS A 93 19.548 -13.771 -2.265 1.00 0.00 H new ATOM 0 HE2 LYS A 93 21.842 -13.610 -2.182 1.00 0.00 H new ATOM 0 HE3 LYS A 93 21.449 -12.510 -0.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 23.158 -14.074 -0.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 21.758 -14.323 0.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 22.138 -15.389 -0.558 1.00 0.00 H new ATOM 1482 N LYS A 94 18.172 -8.465 -0.760 1.00 0.00 N ATOM 1483 CA LYS A 94 18.121 -7.327 -1.678 1.00 0.00 C ATOM 1484 C LYS A 94 17.978 -6.007 -0.926 1.00 0.00 C ATOM 1485 O LYS A 94 18.199 -5.942 0.281 1.00 0.00 O ATOM 1486 CB LYS A 94 16.968 -7.492 -2.670 1.00 0.00 C ATOM 1487 CG LYS A 94 17.365 -7.226 -4.115 1.00 0.00 C ATOM 1488 CD LYS A 94 17.305 -8.492 -4.956 1.00 0.00 C ATOM 1489 CE LYS A 94 18.475 -8.576 -5.922 1.00 0.00 C ATOM 1490 NZ LYS A 94 19.768 -8.770 -5.211 1.00 0.00 N ATOM 0 H LYS A 94 18.120 -8.217 0.228 1.00 0.00 H new ATOM 0 HA LYS A 94 19.063 -7.303 -2.225 1.00 0.00 H new ATOM 0 HB2 LYS A 94 16.574 -8.505 -2.591 1.00 0.00 H new ATOM 0 HB3 LYS A 94 16.161 -6.813 -2.393 1.00 0.00 H new ATOM 0 HG2 LYS A 94 16.702 -6.473 -4.542 1.00 0.00 H new ATOM 0 HG3 LYS A 94 18.374 -6.816 -4.146 1.00 0.00 H new ATOM 0 HD2 LYS A 94 17.308 -9.364 -4.303 1.00 0.00 H new ATOM 0 HD3 LYS A 94 16.369 -8.515 -5.514 1.00 0.00 H new ATOM 0 HE2 LYS A 94 18.315 -9.401 -6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 94 18.521 -7.664 -6.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 20.363 -9.432 -5.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 20.257 -7.856 -5.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 19.588 -9.157 -4.263 1.00 0.00 H new ATOM 1504 N GLU A 95 17.611 -4.955 -1.655 1.00 0.00 N ATOM 1505 CA GLU A 95 17.437 -3.632 -1.064 1.00 0.00 C ATOM 1506 C GLU A 95 16.304 -2.882 -1.763 1.00 0.00 C ATOM 1507 O GLU A 95 15.493 -3.486 -2.466 1.00 0.00 O ATOM 1508 CB GLU A 95 18.741 -2.822 -1.151 1.00 0.00 C ATOM 1509 CG GLU A 95 19.912 -3.589 -1.751 1.00 0.00 C ATOM 1510 CD GLU A 95 21.220 -2.831 -1.647 1.00 0.00 C ATOM 1511 OE1 GLU A 95 21.280 -1.680 -2.130 1.00 0.00 O ATOM 1512 OE2 GLU A 95 22.186 -3.389 -1.084 1.00 0.00 O ATOM 0 H GLU A 95 17.428 -4.994 -2.658 1.00 0.00 H new ATOM 0 HA GLU A 95 17.179 -3.759 -0.013 1.00 0.00 H new ATOM 0 HB2 GLU A 95 18.562 -1.928 -1.749 1.00 0.00 H new ATOM 0 HB3 GLU A 95 19.015 -2.487 -0.151 1.00 0.00 H new ATOM 0 HG2 GLU A 95 20.011 -4.549 -1.244 1.00 0.00 H new ATOM 0 HG3 GLU A 95 19.703 -3.803 -2.799 1.00 0.00 H new ATOM 1519 N ASP A 96 16.250 -1.566 -1.570 1.00 0.00 N ATOM 1520 CA ASP A 96 15.212 -0.744 -2.189 1.00 0.00 C ATOM 1521 C ASP A 96 15.138 -1.002 -3.692 1.00 0.00 C ATOM 1522 O ASP A 96 16.030 -0.611 -4.443 1.00 0.00 O ATOM 1523 CB ASP A 96 15.482 0.738 -1.927 1.00 0.00 C ATOM 1524 CG ASP A 96 16.817 1.189 -2.488 1.00 0.00 C ATOM 1525 OD1 ASP A 96 17.776 0.390 -2.453 1.00 0.00 O ATOM 1526 OD2 ASP A 96 16.902 2.342 -2.962 1.00 0.00 O ATOM 0 H ASP A 96 16.911 -1.047 -0.992 1.00 0.00 H new ATOM 0 HA ASP A 96 14.255 -1.016 -1.744 1.00 0.00 H new ATOM 0 HB2 ASP A 96 14.684 1.334 -2.370 1.00 0.00 H new ATOM 0 HB3 ASP A 96 15.460 0.925 -0.853 1.00 0.00 H new ATOM 1531 N THR A 97 14.069 -1.665 -4.121 1.00 0.00 N ATOM 1532 CA THR A 97 13.882 -1.978 -5.534 1.00 0.00 C ATOM 1533 C THR A 97 12.414 -2.179 -5.860 1.00 0.00 C ATOM 1534 O THR A 97 11.583 -2.319 -4.963 1.00 0.00 O ATOM 1535 CB THR A 97 14.627 -3.248 -5.899 1.00 0.00 C ATOM 1536 OG1 THR A 97 15.881 -3.312 -5.243 1.00 0.00 O ATOM 1537 CG2 THR A 97 14.867 -3.388 -7.385 1.00 0.00 C ATOM 0 H THR A 97 13.320 -1.995 -3.512 1.00 0.00 H new ATOM 0 HA THR A 97 14.271 -1.135 -6.106 1.00 0.00 H new ATOM 0 HB THR A 97 13.982 -4.064 -5.573 1.00 0.00 H new ATOM 0 HG1 THR A 97 15.744 -3.515 -4.294 1.00 0.00 H new ATOM 0 HG21 THR A 97 15.404 -4.316 -7.581 1.00 0.00 H new ATOM 0 HG22 THR A 97 13.911 -3.404 -7.908 1.00 0.00 H new ATOM 0 HG23 THR A 97 15.460 -2.544 -7.739 1.00 0.00 H new ATOM 1545 N GLY A 98 12.100 -2.207 -7.152 1.00 0.00 N ATOM 1546 CA GLY A 98 10.728 -2.404 -7.580 1.00 0.00 C ATOM 1547 C GLY A 98 9.854 -1.209 -7.265 1.00 0.00 C ATOM 1548 O GLY A 98 9.058 -0.774 -8.096 1.00 0.00 O ATOM 0 H GLY A 98 12.773 -2.097 -7.911 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.708 -2.594 -8.653 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.320 -3.289 -7.092 1.00 0.00 H new ATOM 1552 N ILE A 99 10.012 -0.674 -6.061 1.00 0.00 N ATOM 1553 CA ILE A 99 9.234 0.488 -5.637 1.00 0.00 C ATOM 1554 C ILE A 99 9.938 1.781 -6.013 1.00 0.00 C ATOM 1555 O ILE A 99 11.160 1.894 -5.902 1.00 0.00 O ATOM 1556 CB ILE A 99 8.960 0.518 -4.116 1.00 0.00 C ATOM 1557 CG1 ILE A 99 9.986 -0.319 -3.348 1.00 0.00 C ATOM 1558 CG2 ILE A 99 7.547 0.047 -3.813 1.00 0.00 C ATOM 1559 CD1 ILE A 99 9.845 -0.217 -1.845 1.00 0.00 C ATOM 0 H ILE A 99 10.668 -1.023 -5.362 1.00 0.00 H new ATOM 0 HA ILE A 99 8.280 0.400 -6.157 1.00 0.00 H new ATOM 0 HB ILE A 99 9.057 1.551 -3.782 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.886 -1.363 -3.644 1.00 0.00 H new ATOM 0 HG13 ILE A 99 10.989 -0.001 -3.633 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.377 0.076 -2.737 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.831 0.700 -4.312 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.419 -0.974 -4.173 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.604 -0.835 -1.366 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.975 0.821 -1.537 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.855 -0.563 -1.548 1.00 0.00 H new ATOM 1571 N LYS A 100 9.158 2.758 -6.448 1.00 0.00 N ATOM 1572 CA LYS A 100 9.704 4.055 -6.831 1.00 0.00 C ATOM 1573 C LYS A 100 9.611 5.044 -5.670 1.00 0.00 C ATOM 1574 O LYS A 100 10.498 5.877 -5.481 1.00 0.00 O ATOM 1575 CB LYS A 100 8.969 4.609 -8.055 1.00 0.00 C ATOM 1576 CG LYS A 100 9.894 5.120 -9.151 1.00 0.00 C ATOM 1577 CD LYS A 100 10.979 6.029 -8.596 1.00 0.00 C ATOM 1578 CE LYS A 100 12.311 5.303 -8.484 1.00 0.00 C ATOM 1579 NZ LYS A 100 13.025 5.641 -7.223 1.00 0.00 N ATOM 0 H LYS A 100 8.146 2.680 -6.545 1.00 0.00 H new ATOM 0 HA LYS A 100 10.755 3.918 -7.087 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.330 3.828 -8.467 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.315 5.421 -7.737 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.354 4.274 -9.662 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.311 5.662 -9.895 1.00 0.00 H new ATOM 0 HD2 LYS A 100 11.091 6.900 -9.242 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.680 6.397 -7.614 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.142 4.227 -8.528 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.938 5.563 -9.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 13.707 4.889 -6.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 13.530 6.542 -7.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 12.338 5.728 -6.447 1.00 0.00 H new ATOM 1593 N ASN A 101 8.532 4.951 -4.894 1.00 0.00 N ATOM 1594 CA ASN A 101 8.336 5.846 -3.757 1.00 0.00 C ATOM 1595 C ASN A 101 7.480 5.195 -2.669 1.00 0.00 C ATOM 1596 O ASN A 101 6.359 4.755 -2.924 1.00 0.00 O ATOM 1597 CB ASN A 101 7.680 7.149 -4.219 1.00 0.00 C ATOM 1598 CG ASN A 101 8.697 8.205 -4.609 1.00 0.00 C ATOM 1599 OD1 ASN A 101 8.664 8.734 -5.720 1.00 0.00 O ATOM 1600 ND2 ASN A 101 9.607 8.519 -3.694 1.00 0.00 N ATOM 0 H ASN A 101 7.785 4.270 -5.031 1.00 0.00 H new ATOM 0 HA ASN A 101 9.317 6.061 -3.333 1.00 0.00 H new ATOM 0 HB2 ASN A 101 7.030 6.943 -5.070 1.00 0.00 H new ATOM 0 HB3 ASN A 101 7.047 7.536 -3.421 1.00 0.00 H new ATOM 0 HD21 ASN A 101 10.315 9.224 -3.900 1.00 0.00 H new ATOM 0 HD22 ASN A 101 9.598 8.056 -2.785 1.00 0.00 H new ATOM 1607 N ILE A 102 8.018 5.151 -1.449 1.00 0.00 N ATOM 1608 CA ILE A 102 7.311 4.571 -0.308 1.00 0.00 C ATOM 1609 C ILE A 102 6.634 5.662 0.522 1.00 0.00 C ATOM 1610 O ILE A 102 7.257 6.661 0.876 1.00 0.00 O ATOM 1611 CB ILE A 102 8.262 3.765 0.602 1.00 0.00 C ATOM 1612 CG1 ILE A 102 9.301 3.010 -0.232 1.00 0.00 C ATOM 1613 CG2 ILE A 102 7.467 2.798 1.464 1.00 0.00 C ATOM 1614 CD1 ILE A 102 10.413 2.404 0.595 1.00 0.00 C ATOM 0 H ILE A 102 8.946 5.512 -1.226 1.00 0.00 H new ATOM 0 HA ILE A 102 6.557 3.896 -0.712 1.00 0.00 H new ATOM 0 HB ILE A 102 8.791 4.462 1.253 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.801 2.218 -0.791 1.00 0.00 H new ATOM 0 HG13 ILE A 102 9.733 3.692 -0.964 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.148 2.235 2.102 1.00 0.00 H new ATOM 0 HG22 ILE A 102 6.766 3.356 2.085 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.916 2.109 0.824 1.00 0.00 H new ATOM 0 HD11 ILE A 102 11.112 1.885 -0.060 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.938 3.193 1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 102 9.991 1.697 1.309 1.00 0.00 H new ATOM 1626 N MET A 103 5.351 5.470 0.816 1.00 0.00 N ATOM 1627 CA MET A 103 4.599 6.454 1.587 1.00 0.00 C ATOM 1628 C MET A 103 3.623 5.791 2.565 1.00 0.00 C ATOM 1629 O MET A 103 3.327 4.604 2.449 1.00 0.00 O ATOM 1630 CB MET A 103 3.824 7.363 0.631 1.00 0.00 C ATOM 1631 CG MET A 103 4.710 8.092 -0.367 1.00 0.00 C ATOM 1632 SD MET A 103 4.635 7.376 -2.019 1.00 0.00 S ATOM 1633 CE MET A 103 3.017 7.926 -2.554 1.00 0.00 C ATOM 0 H MET A 103 4.815 4.649 0.535 1.00 0.00 H new ATOM 0 HA MET A 103 5.311 7.036 2.172 1.00 0.00 H new ATOM 0 HB2 MET A 103 3.093 6.765 0.087 1.00 0.00 H new ATOM 0 HB3 MET A 103 3.266 8.097 1.213 1.00 0.00 H new ATOM 0 HG2 MET A 103 4.410 9.139 -0.416 1.00 0.00 H new ATOM 0 HG3 MET A 103 5.741 8.072 -0.013 1.00 0.00 H new ATOM 0 HE1 MET A 103 2.393 7.060 -2.776 1.00 0.00 H new ATOM 0 HE2 MET A 103 2.553 8.515 -1.763 1.00 0.00 H new ATOM 0 HE3 MET A 103 3.119 8.539 -3.450 1.00 0.00 H new ATOM 1643 N ILE A 104 3.096 6.578 3.511 1.00 0.00 N ATOM 1644 CA ILE A 104 2.121 6.049 4.465 1.00 0.00 C ATOM 1645 C ILE A 104 0.776 6.762 4.305 1.00 0.00 C ATOM 1646 O ILE A 104 0.699 7.988 4.218 1.00 0.00 O ATOM 1647 CB ILE A 104 2.607 6.081 5.953 1.00 0.00 C ATOM 1648 CG1 ILE A 104 1.759 7.025 6.830 1.00 0.00 C ATOM 1649 CG2 ILE A 104 4.084 6.448 6.045 1.00 0.00 C ATOM 1650 CD1 ILE A 104 0.495 6.393 7.362 1.00 0.00 C ATOM 0 H ILE A 104 3.324 7.565 3.634 1.00 0.00 H new ATOM 0 HA ILE A 104 1.999 4.993 4.224 1.00 0.00 H new ATOM 0 HB ILE A 104 2.475 5.072 6.343 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.364 7.367 7.670 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.495 7.908 6.247 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.391 6.462 7.091 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.676 5.711 5.503 1.00 0.00 H new ATOM 0 HG23 ILE A 104 4.242 7.434 5.607 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.047 7.118 7.969 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -0.132 6.076 6.529 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.750 5.527 7.973 1.00 0.00 H new ATOM 1662 N LEU A 105 -0.275 5.950 4.249 1.00 0.00 N ATOM 1663 CA LEU A 105 -1.637 6.434 4.081 1.00 0.00 C ATOM 1664 C LEU A 105 -2.356 6.510 5.427 1.00 0.00 C ATOM 1665 O LEU A 105 -2.676 5.488 6.034 1.00 0.00 O ATOM 1666 CB LEU A 105 -2.374 5.502 3.110 1.00 0.00 C ATOM 1667 CG LEU A 105 -3.893 5.421 3.260 1.00 0.00 C ATOM 1668 CD1 LEU A 105 -4.544 6.733 2.847 1.00 0.00 C ATOM 1669 CD2 LEU A 105 -4.434 4.262 2.433 1.00 0.00 C ATOM 0 H LEU A 105 -0.204 4.935 4.319 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.620 7.443 3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.149 5.822 2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.966 4.498 3.226 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.135 5.244 4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.625 6.654 2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.170 7.539 3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.304 6.946 1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.517 4.210 2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.184 4.416 1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.988 3.329 2.779 1.00 0.00 H new ATOM 1681 N GLU A 106 -2.599 7.733 5.882 1.00 0.00 N ATOM 1682 CA GLU A 106 -3.274 7.965 7.156 1.00 0.00 C ATOM 1683 C GLU A 106 -4.775 7.711 7.043 1.00 0.00 C ATOM 1684 O GLU A 106 -5.338 6.924 7.804 1.00 0.00 O ATOM 1685 CB GLU A 106 -3.021 9.393 7.646 1.00 0.00 C ATOM 1686 CG GLU A 106 -3.194 10.455 6.571 1.00 0.00 C ATOM 1687 CD GLU A 106 -4.518 11.180 6.676 1.00 0.00 C ATOM 1688 OE1 GLU A 106 -4.803 11.750 7.750 1.00 0.00 O ATOM 1689 OE2 GLU A 106 -5.270 11.179 5.680 1.00 0.00 O ATOM 0 H GLU A 106 -2.338 8.585 5.386 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.862 7.262 7.880 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.702 9.610 8.469 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.008 9.455 8.045 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.381 11.178 6.646 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.116 9.988 5.589 1.00 0.00 H new ATOM 1696 N ARG A 107 -5.421 8.378 6.089 1.00 0.00 N ATOM 1697 CA ARG A 107 -6.858 8.216 5.884 1.00 0.00 C ATOM 1698 C ARG A 107 -7.143 7.043 4.951 1.00 0.00 C ATOM 1699 O ARG A 107 -7.946 7.153 4.024 1.00 0.00 O ATOM 1700 CB ARG A 107 -7.463 9.497 5.303 1.00 0.00 C ATOM 1701 CG ARG A 107 -7.835 10.529 6.355 1.00 0.00 C ATOM 1702 CD ARG A 107 -8.938 10.021 7.269 1.00 0.00 C ATOM 1703 NE ARG A 107 -8.471 9.853 8.642 1.00 0.00 N ATOM 1704 CZ ARG A 107 -9.275 9.816 9.700 1.00 0.00 C ATOM 1705 NH1 ARG A 107 -10.589 9.926 9.547 1.00 0.00 N ATOM 1706 NH2 ARG A 107 -8.766 9.665 10.914 1.00 0.00 N ATOM 0 H ARG A 107 -4.974 9.033 5.448 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.316 8.013 6.852 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -6.751 9.941 4.607 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -8.353 9.240 4.728 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.955 10.778 6.949 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -8.160 11.447 5.866 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -9.774 10.720 7.253 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -9.311 9.068 6.893 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.468 9.758 8.799 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -10.986 10.040 8.614 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -11.202 9.897 10.362 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.757 9.577 11.037 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.383 9.637 11.726 1.00 0.00 H new ATOM 1720 N GLY A 108 -6.470 5.925 5.194 1.00 0.00 N ATOM 1721 CA GLY A 108 -6.649 4.755 4.362 1.00 0.00 C ATOM 1722 C GLY A 108 -8.039 4.154 4.444 1.00 0.00 C ATOM 1723 O GLY A 108 -8.770 4.146 3.453 1.00 0.00 O ATOM 0 H GLY A 108 -5.802 5.810 5.956 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.439 5.021 3.326 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -5.919 3.999 4.651 1.00 0.00 H new ATOM 1727 N PHE A 109 -8.406 3.628 5.609 1.00 0.00 N ATOM 1728 CA PHE A 109 -9.717 3.007 5.765 1.00 0.00 C ATOM 1729 C PHE A 109 -10.439 3.444 7.041 1.00 0.00 C ATOM 1730 O PHE A 109 -11.541 2.974 7.313 1.00 0.00 O ATOM 1731 CB PHE A 109 -9.584 1.476 5.723 1.00 0.00 C ATOM 1732 CG PHE A 109 -9.304 0.836 7.058 1.00 0.00 C ATOM 1733 CD1 PHE A 109 -8.425 1.418 7.957 1.00 0.00 C ATOM 1734 CD2 PHE A 109 -9.925 -0.354 7.410 1.00 0.00 C ATOM 1735 CE1 PHE A 109 -8.169 0.826 9.180 1.00 0.00 C ATOM 1736 CE2 PHE A 109 -9.673 -0.948 8.631 1.00 0.00 C ATOM 1737 CZ PHE A 109 -8.794 -0.358 9.517 1.00 0.00 C ATOM 0 H PHE A 109 -7.824 3.619 6.447 1.00 0.00 H new ATOM 0 HA PHE A 109 -10.329 3.347 4.930 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -10.504 1.055 5.318 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -8.783 1.212 5.033 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -7.934 2.345 7.699 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -10.613 -0.821 6.721 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -7.481 1.289 9.871 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -10.164 -1.874 8.893 1.00 0.00 H new ATOM 0 HZ PHE A 109 -8.596 -0.822 10.472 1.00 0.00 H new ATOM 1747 N ASN A 110 -9.837 4.338 7.821 1.00 0.00 N ATOM 1748 CA ASN A 110 -10.485 4.796 9.047 1.00 0.00 C ATOM 1749 C ASN A 110 -11.743 5.593 8.708 1.00 0.00 C ATOM 1750 O ASN A 110 -12.832 5.301 9.204 1.00 0.00 O ATOM 1751 CB ASN A 110 -9.523 5.654 9.873 1.00 0.00 C ATOM 1752 CG ASN A 110 -9.038 4.937 11.118 1.00 0.00 C ATOM 1753 OD1 ASN A 110 -8.438 3.768 10.929 1.00 0.00 O flip ATOM 1754 ND2 ASN A 110 -9.201 5.427 12.235 1.00 0.00 N flip ATOM 0 H ASN A 110 -8.924 4.752 7.633 1.00 0.00 H new ATOM 0 HA ASN A 110 -10.767 3.925 9.639 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -8.666 5.930 9.258 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -10.021 6.580 10.160 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -9.668 6.329 12.333 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -8.869 4.932 13.063 1.00 0.00 H new ATOM 1761 N GLY A 111 -11.584 6.581 7.834 1.00 0.00 N ATOM 1762 CA GLY A 111 -12.703 7.391 7.402 1.00 0.00 C ATOM 1763 C GLY A 111 -13.680 6.595 6.563 1.00 0.00 C ATOM 1764 O GLY A 111 -14.879 6.863 6.564 1.00 0.00 O ATOM 0 H GLY A 111 -10.690 6.835 7.415 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -13.217 7.795 8.274 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -12.336 8.240 6.826 1.00 0.00 H new ATOM 1768 N TRP A 112 -13.146 5.625 5.827 1.00 0.00 N ATOM 1769 CA TRP A 112 -13.950 4.781 4.950 1.00 0.00 C ATOM 1770 C TRP A 112 -14.915 3.908 5.753 1.00 0.00 C ATOM 1771 O TRP A 112 -16.115 3.906 5.499 1.00 0.00 O ATOM 1772 CB TRP A 112 -13.001 3.923 4.108 1.00 0.00 C ATOM 1773 CG TRP A 112 -13.657 2.810 3.354 1.00 0.00 C ATOM 1774 CD1 TRP A 112 -14.981 2.677 3.054 1.00 0.00 C ATOM 1775 CD2 TRP A 112 -12.998 1.668 2.803 1.00 0.00 C ATOM 1776 NE1 TRP A 112 -15.186 1.517 2.349 1.00 0.00 N ATOM 1777 CE2 TRP A 112 -13.981 0.880 2.181 1.00 0.00 C ATOM 1778 CE3 TRP A 112 -11.668 1.237 2.775 1.00 0.00 C ATOM 1779 CZ2 TRP A 112 -13.674 -0.317 1.539 1.00 0.00 C ATOM 1780 CZ3 TRP A 112 -11.367 0.049 2.138 1.00 0.00 C ATOM 1781 CH2 TRP A 112 -12.367 -0.716 1.527 1.00 0.00 C ATOM 0 H TRP A 112 -12.150 5.403 5.821 1.00 0.00 H new ATOM 0 HA TRP A 112 -14.560 5.406 4.298 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -12.485 4.569 3.397 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -12.240 3.499 4.764 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -15.753 3.380 3.330 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -16.087 1.183 2.006 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -10.890 1.822 3.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -14.443 -0.910 1.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -10.344 -0.295 2.111 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -12.100 -1.640 1.036 1.00 0.00 H new ATOM 1792 N GLU A 113 -14.396 3.184 6.735 1.00 0.00 N ATOM 1793 CA GLU A 113 -15.239 2.343 7.573 1.00 0.00 C ATOM 1794 C GLU A 113 -16.159 3.200 8.437 1.00 0.00 C ATOM 1795 O GLU A 113 -17.371 2.987 8.485 1.00 0.00 O ATOM 1796 CB GLU A 113 -14.377 1.448 8.467 1.00 0.00 C ATOM 1797 CG GLU A 113 -13.873 0.194 7.773 1.00 0.00 C ATOM 1798 CD GLU A 113 -13.231 -0.784 8.736 1.00 0.00 C ATOM 1799 OE1 GLU A 113 -12.249 -0.400 9.407 1.00 0.00 O ATOM 1800 OE2 GLU A 113 -13.708 -1.935 8.821 1.00 0.00 O ATOM 0 H GLU A 113 -13.404 3.162 6.970 1.00 0.00 H new ATOM 0 HA GLU A 113 -15.849 1.716 6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -13.523 2.022 8.825 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -14.957 1.159 9.344 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.704 -0.295 7.264 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -13.149 0.473 7.007 1.00 0.00 H new ATOM 1807 N ALA A 114 -15.558 4.163 9.131 1.00 0.00 N ATOM 1808 CA ALA A 114 -16.289 5.060 10.020 1.00 0.00 C ATOM 1809 C ALA A 114 -17.232 6.010 9.279 1.00 0.00 C ATOM 1810 O ALA A 114 -18.393 6.157 9.662 1.00 0.00 O ATOM 1811 CB ALA A 114 -15.312 5.857 10.869 1.00 0.00 C ATOM 0 H ALA A 114 -14.555 4.343 9.093 1.00 0.00 H new ATOM 0 HA ALA A 114 -16.914 4.431 10.654 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -15.865 6.524 11.530 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.707 5.174 11.466 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -14.662 6.445 10.221 1.00 0.00 H new ATOM 1817 N SER A 115 -16.723 6.687 8.251 1.00 0.00 N ATOM 1818 CA SER A 115 -17.536 7.657 7.511 1.00 0.00 C ATOM 1819 C SER A 115 -17.920 7.177 6.112 1.00 0.00 C ATOM 1820 O SER A 115 -18.922 7.627 5.554 1.00 0.00 O ATOM 1821 CB SER A 115 -16.790 8.988 7.406 1.00 0.00 C ATOM 1822 OG SER A 115 -17.694 10.069 7.253 1.00 0.00 O ATOM 0 H SER A 115 -15.766 6.586 7.913 1.00 0.00 H new ATOM 0 HA SER A 115 -18.462 7.780 8.072 1.00 0.00 H new ATOM 0 HB2 SER A 115 -16.184 9.140 8.299 1.00 0.00 H new ATOM 0 HB3 SER A 115 -16.106 8.959 6.558 1.00 0.00 H new ATOM 0 HG SER A 115 -17.192 10.908 7.190 1.00 0.00 H new ATOM 1828 N GLY A 116 -17.125 6.284 5.538 1.00 0.00 N ATOM 1829 CA GLY A 116 -17.417 5.795 4.201 1.00 0.00 C ATOM 1830 C GLY A 116 -18.354 4.600 4.193 1.00 0.00 C ATOM 1831 O GLY A 116 -18.379 3.837 3.228 1.00 0.00 O ATOM 0 H GLY A 116 -16.288 5.890 5.969 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -17.860 6.600 3.615 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -16.484 5.520 3.710 1.00 0.00 H new ATOM 1835 N LYS A 117 -19.123 4.431 5.266 1.00 0.00 N ATOM 1836 CA LYS A 117 -20.057 3.315 5.366 1.00 0.00 C ATOM 1837 C LYS A 117 -19.335 1.986 5.105 1.00 0.00 C ATOM 1838 O LYS A 117 -18.115 1.967 4.943 1.00 0.00 O ATOM 1839 CB LYS A 117 -21.231 3.533 4.395 1.00 0.00 C ATOM 1840 CG LYS A 117 -21.030 2.954 3.000 1.00 0.00 C ATOM 1841 CD LYS A 117 -22.360 2.745 2.289 1.00 0.00 C ATOM 1842 CE LYS A 117 -23.199 4.015 2.278 1.00 0.00 C ATOM 1843 NZ LYS A 117 -24.187 4.039 3.394 1.00 0.00 N ATOM 0 H LYS A 117 -19.117 5.051 6.076 1.00 0.00 H new ATOM 0 HA LYS A 117 -20.462 3.268 6.377 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -22.128 3.092 4.829 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -21.414 4.604 4.305 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -20.403 3.625 2.413 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -20.501 2.004 3.071 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -22.178 2.421 1.264 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -22.915 1.947 2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -22.544 4.883 2.354 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -23.724 4.095 1.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -25.149 4.100 3.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -24.096 3.169 3.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -24.006 4.864 4.000 1.00 0.00 H new ATOM 1857 N PRO A 118 -20.066 0.855 5.072 1.00 0.00 N ATOM 1858 CA PRO A 118 -19.467 -0.465 4.842 1.00 0.00 C ATOM 1859 C PRO A 118 -18.415 -0.465 3.732 1.00 0.00 C ATOM 1860 O PRO A 118 -18.298 0.488 2.964 1.00 0.00 O ATOM 1861 CB PRO A 118 -20.670 -1.319 4.455 1.00 0.00 C ATOM 1862 CG PRO A 118 -21.793 -0.726 5.231 1.00 0.00 C ATOM 1863 CD PRO A 118 -21.530 0.757 5.265 1.00 0.00 C ATOM 0 HA PRO A 118 -18.926 -0.826 5.717 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -20.860 -1.279 3.382 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -20.516 -2.367 4.712 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -22.752 -0.942 4.759 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -21.833 -1.139 6.239 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -22.074 1.279 4.478 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -21.840 1.198 6.213 1.00 0.00 H new ATOM 1871 N VAL A 119 -17.648 -1.550 3.672 1.00 0.00 N ATOM 1872 CA VAL A 119 -16.587 -1.709 2.679 1.00 0.00 C ATOM 1873 C VAL A 119 -16.981 -2.757 1.627 1.00 0.00 C ATOM 1874 O VAL A 119 -17.708 -3.700 1.937 1.00 0.00 O ATOM 1875 CB VAL A 119 -15.231 -2.073 3.350 1.00 0.00 C ATOM 1876 CG1 VAL A 119 -15.415 -2.472 4.806 1.00 0.00 C ATOM 1877 CG2 VAL A 119 -14.500 -3.162 2.579 1.00 0.00 C ATOM 0 H VAL A 119 -17.743 -2.342 4.308 1.00 0.00 H new ATOM 0 HA VAL A 119 -16.456 -0.752 2.174 1.00 0.00 H new ATOM 0 HB VAL A 119 -14.613 -1.175 3.327 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -14.446 -2.719 5.241 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -15.859 -1.643 5.357 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -16.071 -3.340 4.865 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -13.558 -3.390 3.077 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -15.118 -4.059 2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -14.300 -2.818 1.564 1.00 0.00 H new ATOM 1887 N CYS A 120 -16.506 -2.574 0.385 1.00 0.00 N ATOM 1888 CA CYS A 120 -16.811 -3.488 -0.729 1.00 0.00 C ATOM 1889 C CYS A 120 -18.219 -4.095 -0.647 1.00 0.00 C ATOM 1890 O CYS A 120 -19.152 -3.578 -1.259 1.00 0.00 O ATOM 1891 CB CYS A 120 -15.767 -4.601 -0.808 1.00 0.00 C ATOM 1892 SG CYS A 120 -16.092 -5.846 -2.079 1.00 0.00 S ATOM 0 H CYS A 120 -15.903 -1.793 0.125 1.00 0.00 H new ATOM 0 HA CYS A 120 -16.779 -2.885 -1.637 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -14.791 -4.154 -0.997 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -15.708 -5.096 0.161 1.00 0.00 H new ATOM 0 HG CYS A 120 -16.208 -7.015 -1.522 1.00 0.00 H new ATOM 1897 N ARG A 121 -18.341 -5.212 0.087 1.00 0.00 N ATOM 1898 CA ARG A 121 -19.605 -5.949 0.248 1.00 0.00 C ATOM 1899 C ARG A 121 -19.618 -7.155 -0.692 1.00 0.00 C ATOM 1900 O ARG A 121 -20.126 -8.224 -0.351 1.00 0.00 O ATOM 1901 CB ARG A 121 -20.838 -5.055 0.013 1.00 0.00 C ATOM 1902 CG ARG A 121 -21.334 -5.031 -1.426 1.00 0.00 C ATOM 1903 CD ARG A 121 -22.023 -3.717 -1.757 1.00 0.00 C ATOM 1904 NE ARG A 121 -22.985 -3.864 -2.847 1.00 0.00 N ATOM 1905 CZ ARG A 121 -23.390 -2.860 -3.622 1.00 0.00 C ATOM 1906 NH1 ARG A 121 -22.932 -1.631 -3.423 1.00 0.00 N ATOM 1907 NH2 ARG A 121 -24.259 -3.088 -4.598 1.00 0.00 N ATOM 0 H ARG A 121 -17.559 -5.633 0.589 1.00 0.00 H new ATOM 0 HA ARG A 121 -19.664 -6.293 1.281 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -21.648 -5.397 0.658 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -20.596 -4.037 0.318 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -20.494 -5.183 -2.104 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -22.027 -5.857 -1.587 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -22.534 -3.342 -0.870 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -21.274 -2.974 -2.032 1.00 0.00 H new ATOM 0 HE ARG A 121 -23.369 -4.792 -3.025 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -22.265 -1.451 -2.672 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -23.247 -0.867 -4.021 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -24.616 -4.031 -4.753 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -24.571 -2.320 -5.193 1.00 0.00 H new ATOM 1921 N CYS A 122 -19.031 -6.966 -1.871 1.00 0.00 N ATOM 1922 CA CYS A 122 -18.934 -8.020 -2.879 1.00 0.00 C ATOM 1923 C CYS A 122 -20.286 -8.336 -3.507 1.00 0.00 C ATOM 1924 O CYS A 122 -21.283 -7.659 -3.253 1.00 0.00 O ATOM 1925 CB CYS A 122 -18.332 -9.294 -2.279 1.00 0.00 C ATOM 1926 SG CYS A 122 -16.797 -9.036 -1.362 1.00 0.00 S ATOM 0 H CYS A 122 -18.610 -6.081 -2.155 1.00 0.00 H new ATOM 0 HA CYS A 122 -18.276 -7.647 -3.664 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -19.066 -9.749 -1.614 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -18.145 -10.006 -3.083 1.00 0.00 H new ATOM 0 HG CYS A 122 -15.825 -8.814 -2.196 1.00 0.00 H new ATOM 1931 N ALA A 123 -20.299 -9.377 -4.332 1.00 0.00 N ATOM 1932 CA ALA A 123 -21.487 -9.825 -5.022 1.00 0.00 C ATOM 1933 C ALA A 123 -21.094 -11.054 -5.805 1.00 0.00 C ATOM 1934 O ALA A 123 -21.821 -12.046 -5.852 1.00 0.00 O ATOM 1935 CB ALA A 123 -22.029 -8.738 -5.939 1.00 0.00 C ATOM 0 H ALA A 123 -19.471 -9.936 -4.538 1.00 0.00 H new ATOM 0 HA ALA A 123 -22.284 -10.055 -4.315 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -22.923 -9.102 -6.446 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -22.280 -7.856 -5.349 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -21.273 -8.476 -6.680 1.00 0.00 H new ATOM 1941 N GLU A 124 -19.886 -10.972 -6.379 1.00 0.00 N ATOM 1942 CA GLU A 124 -19.289 -12.055 -7.135 1.00 0.00 C ATOM 1943 C GLU A 124 -18.264 -11.530 -8.124 1.00 0.00 C ATOM 1944 O GLU A 124 -17.130 -12.008 -8.152 1.00 0.00 O ATOM 1945 CB GLU A 124 -20.345 -12.873 -7.850 1.00 0.00 C ATOM 1946 CG GLU A 124 -20.645 -14.193 -7.164 1.00 0.00 C ATOM 1947 CD GLU A 124 -20.943 -15.310 -8.145 1.00 0.00 C ATOM 1948 OE1 GLU A 124 -21.551 -15.028 -9.199 1.00 0.00 O ATOM 1949 OE2 GLU A 124 -20.570 -16.467 -7.859 1.00 0.00 O ATOM 0 H GLU A 124 -19.299 -10.140 -6.325 1.00 0.00 H new ATOM 0 HA GLU A 124 -18.778 -12.707 -6.426 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -21.263 -12.289 -7.918 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -20.015 -13.068 -8.870 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -19.794 -14.477 -6.544 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -21.497 -14.065 -6.496 1.00 0.00 H new ATOM 1956 N VAL A 125 -18.647 -10.535 -8.919 1.00 0.00 N ATOM 1957 CA VAL A 125 -17.724 -9.948 -9.882 1.00 0.00 C ATOM 1958 C VAL A 125 -16.375 -9.716 -9.210 1.00 0.00 C ATOM 1959 O VAL A 125 -16.302 -9.682 -7.985 1.00 0.00 O ATOM 1960 CB VAL A 125 -18.256 -8.610 -10.432 1.00 0.00 C ATOM 1961 CG1 VAL A 125 -19.351 -8.852 -11.458 1.00 0.00 C ATOM 1962 CG2 VAL A 125 -18.762 -7.730 -9.300 1.00 0.00 C ATOM 0 H VAL A 125 -19.580 -10.123 -8.916 1.00 0.00 H new ATOM 0 HA VAL A 125 -17.619 -10.640 -10.717 1.00 0.00 H new ATOM 0 HB VAL A 125 -17.435 -8.090 -10.926 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -19.714 -7.896 -11.835 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -18.952 -9.440 -12.284 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -20.174 -9.394 -10.991 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -19.133 -6.790 -9.708 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -19.568 -8.241 -8.774 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -17.947 -7.527 -8.605 1.00 0.00 H new ATOM 1972 N PRO A 126 -15.288 -9.572 -9.981 1.00 0.00 N ATOM 1973 CA PRO A 126 -13.953 -9.357 -9.411 1.00 0.00 C ATOM 1974 C PRO A 126 -13.889 -8.099 -8.547 1.00 0.00 C ATOM 1975 O PRO A 126 -13.152 -7.163 -8.861 1.00 0.00 O ATOM 1976 CB PRO A 126 -13.048 -9.217 -10.644 1.00 0.00 C ATOM 1977 CG PRO A 126 -13.971 -8.920 -11.777 1.00 0.00 C ATOM 1978 CD PRO A 126 -15.261 -9.615 -11.451 1.00 0.00 C ATOM 0 HA PRO A 126 -13.658 -10.171 -8.748 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -12.320 -8.417 -10.509 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -12.485 -10.133 -10.825 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -14.123 -7.846 -11.886 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -13.560 -9.281 -12.720 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -16.119 -9.103 -11.887 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -15.276 -10.638 -11.827 1.00 0.00 H new ATOM 1986 N CYS A 127 -14.671 -8.084 -7.458 1.00 0.00 N ATOM 1987 CA CYS A 127 -14.720 -6.939 -6.538 1.00 0.00 C ATOM 1988 C CYS A 127 -14.389 -5.621 -7.255 1.00 0.00 C ATOM 1989 O CYS A 127 -15.158 -5.178 -8.109 1.00 0.00 O ATOM 1990 CB CYS A 127 -13.787 -7.173 -5.353 1.00 0.00 C ATOM 1991 SG CYS A 127 -14.368 -8.446 -4.208 1.00 0.00 S ATOM 0 H CYS A 127 -15.281 -8.857 -7.192 1.00 0.00 H new ATOM 0 HA CYS A 127 -15.740 -6.851 -6.163 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -12.803 -7.456 -5.727 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -13.664 -6.237 -4.809 1.00 0.00 H new ATOM 0 HG CYS A 127 -13.361 -9.166 -3.813 1.00 0.00 H new ATOM 1996 N LYS A 128 -13.250 -4.991 -6.931 1.00 0.00 N ATOM 1997 CA LYS A 128 -12.885 -3.742 -7.597 1.00 0.00 C ATOM 1998 C LYS A 128 -11.415 -3.664 -7.955 1.00 0.00 C ATOM 1999 O LYS A 128 -11.081 -3.337 -9.094 1.00 0.00 O ATOM 2000 CB LYS A 128 -13.229 -2.494 -6.755 1.00 0.00 C ATOM 2001 CG LYS A 128 -14.647 -2.497 -6.204 1.00 0.00 C ATOM 2002 CD LYS A 128 -15.484 -1.380 -6.811 1.00 0.00 C ATOM 2003 CE LYS A 128 -15.138 -0.027 -6.208 1.00 0.00 C ATOM 2004 NZ LYS A 128 -14.615 0.922 -7.230 1.00 0.00 N ATOM 0 H LYS A 128 -12.585 -5.318 -6.231 1.00 0.00 H new ATOM 0 HA LYS A 128 -13.480 -3.748 -8.510 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -12.527 -2.423 -5.925 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -13.089 -1.604 -7.368 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -15.117 -3.459 -6.411 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -14.618 -2.383 -5.120 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -15.324 -1.350 -7.889 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -16.542 -1.590 -6.652 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -16.025 0.398 -5.739 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -14.394 -0.160 -5.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -14.392 1.831 -6.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -13.754 0.529 -7.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -15.334 1.070 -7.967 1.00 0.00 H new ATOM 2018 N GLY A 129 -10.527 -3.815 -6.968 1.00 0.00 N ATOM 2019 CA GLY A 129 -9.135 -3.582 -7.262 1.00 0.00 C ATOM 2020 C GLY A 129 -9.085 -2.119 -7.597 1.00 0.00 C ATOM 2021 O GLY A 129 -8.280 -1.634 -8.392 1.00 0.00 O ATOM 0 H GLY A 129 -10.743 -4.084 -6.008 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -8.500 -3.820 -6.409 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -8.793 -4.196 -8.095 1.00 0.00 H new