USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 520 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 NoAdj-H: A 41 HIS HD1 : A 41 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 24:sc= 0.0251 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -5:sc= 1 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0.044) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.671 K(o=-0.67,f=-2.1!) USER MOD Single : A 25 HIS :FLIP no HD1:sc= -0.568 F(o=-1.4,f=-0.57) USER MOD Single : A 26 ASN : amide:sc= -0.568 K(o=-0.57,f=-2.9!) USER MOD Single : A 27 ASN : amide:sc= -0.442 K(o=-0.44,f=-8.5!) USER MOD Single : A 30 MET CE :methyl -108:sc= -0.576 (180deg=-2.17!) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.25 X(o=-0.25,f=0) USER MOD Single : A 62 TYR OH : rot 120:sc= 1.1 USER MOD Single : A 66 ASN : amide:sc= -5.87! C(o=-5.9!,f=-11!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.00184 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.120 29.635 25.601 1.00 0.00 N ATOM 2 CA GLY A 1 -9.349 29.960 24.205 1.00 0.00 C ATOM 3 C GLY A 1 -8.145 29.659 23.335 1.00 0.00 C ATOM 4 O GLY A 1 -7.136 30.361 23.394 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.972 29.859 26.154 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.905 28.621 25.691 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.318 30.192 25.960 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.207 29.396 23.840 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.601 31.017 24.118 1.00 0.00 H new ATOM 8 N SER A 2 -8.250 28.609 22.525 1.00 0.00 N ATOM 9 CA SER A 2 -7.158 28.213 21.643 1.00 0.00 C ATOM 10 C SER A 2 -7.078 29.134 20.430 1.00 0.00 C ATOM 11 O SER A 2 -8.088 29.421 19.787 1.00 0.00 O ATOM 12 CB SER A 2 -7.345 26.765 21.186 1.00 0.00 C ATOM 13 OG SER A 2 -6.769 25.859 22.112 1.00 0.00 O ATOM 0 H SER A 2 -9.079 28.018 22.462 1.00 0.00 H new ATOM 0 HA SER A 2 -6.225 28.294 22.201 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.408 26.550 21.075 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.888 26.628 20.206 1.00 0.00 H new ATOM 0 HG SER A 2 -6.904 24.941 21.798 1.00 0.00 H new ATOM 19 N SER A 3 -5.870 29.596 20.124 1.00 0.00 N ATOM 20 CA SER A 3 -5.657 30.488 18.991 1.00 0.00 C ATOM 21 C SER A 3 -4.201 30.451 18.536 1.00 0.00 C ATOM 22 O SER A 3 -3.282 30.544 19.349 1.00 0.00 O ATOM 23 CB SER A 3 -6.051 31.919 19.361 1.00 0.00 C ATOM 24 OG SER A 3 -5.365 32.353 20.522 1.00 0.00 O ATOM 0 H SER A 3 -5.024 29.367 20.645 1.00 0.00 H new ATOM 0 HA SER A 3 -6.285 30.146 18.168 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.826 32.588 18.530 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.127 31.971 19.530 1.00 0.00 H new ATOM 0 HG SER A 3 -4.535 31.841 20.622 1.00 0.00 H new ATOM 30 N GLY A 4 -3.999 30.313 17.229 1.00 0.00 N ATOM 31 CA GLY A 4 -2.653 30.265 16.688 1.00 0.00 C ATOM 32 C GLY A 4 -2.569 30.849 15.291 1.00 0.00 C ATOM 33 O GLY A 4 -2.910 30.186 14.312 1.00 0.00 O ATOM 0 H GLY A 4 -4.743 30.234 16.536 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.980 30.812 17.348 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.309 29.231 16.668 1.00 0.00 H new ATOM 37 N SER A 5 -2.115 32.095 15.199 1.00 0.00 N ATOM 38 CA SER A 5 -1.993 32.770 13.912 1.00 0.00 C ATOM 39 C SER A 5 -1.425 31.827 12.855 1.00 0.00 C ATOM 40 O SER A 5 -0.395 31.188 13.067 1.00 0.00 O ATOM 41 CB SER A 5 -1.099 34.005 14.043 1.00 0.00 C ATOM 42 OG SER A 5 -1.725 35.008 14.823 1.00 0.00 O ATOM 0 H SER A 5 -1.826 32.657 16.000 1.00 0.00 H new ATOM 0 HA SER A 5 -2.989 33.082 13.598 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.150 33.724 14.500 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.871 34.399 13.053 1.00 0.00 H new ATOM 0 HG SER A 5 -1.133 35.785 14.893 1.00 0.00 H new ATOM 48 N SER A 6 -2.106 31.747 11.717 1.00 0.00 N ATOM 49 CA SER A 6 -1.673 30.879 10.627 1.00 0.00 C ATOM 50 C SER A 6 -2.297 31.316 9.305 1.00 0.00 C ATOM 51 O SER A 6 -3.388 31.883 9.277 1.00 0.00 O ATOM 52 CB SER A 6 -2.047 29.426 10.925 1.00 0.00 C ATOM 53 OG SER A 6 -1.307 28.924 12.024 1.00 0.00 O ATOM 0 H SER A 6 -2.959 32.272 11.525 1.00 0.00 H new ATOM 0 HA SER A 6 -0.589 30.957 10.541 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.114 29.358 11.139 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.859 28.811 10.045 1.00 0.00 H new ATOM 0 HG SER A 6 -0.647 29.592 12.307 1.00 0.00 H new ATOM 59 N GLY A 7 -1.594 31.047 8.209 1.00 0.00 N ATOM 60 CA GLY A 7 -2.092 31.419 6.898 1.00 0.00 C ATOM 61 C GLY A 7 -1.719 30.411 5.828 1.00 0.00 C ATOM 62 O GLY A 7 -2.538 30.067 4.978 1.00 0.00 O ATOM 0 H GLY A 7 -0.688 30.578 8.206 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.177 31.516 6.939 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.695 32.397 6.626 1.00 0.00 H new ATOM 66 N GLU A 8 -0.477 29.939 5.871 1.00 0.00 N ATOM 67 CA GLU A 8 0.004 28.967 4.896 1.00 0.00 C ATOM 68 C GLU A 8 -0.692 27.622 5.080 1.00 0.00 C ATOM 69 O GLU A 8 -1.110 27.273 6.185 1.00 0.00 O ATOM 70 CB GLU A 8 1.519 28.792 5.021 1.00 0.00 C ATOM 71 CG GLU A 8 2.195 28.392 3.721 1.00 0.00 C ATOM 72 CD GLU A 8 3.705 28.510 3.788 1.00 0.00 C ATOM 73 OE1 GLU A 8 4.209 29.650 3.867 1.00 0.00 O ATOM 74 OE2 GLU A 8 4.383 27.462 3.762 1.00 0.00 O ATOM 0 H GLU A 8 0.214 30.214 6.570 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.229 29.344 3.900 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.956 29.726 5.376 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.728 28.035 5.777 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.925 27.365 3.477 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.821 29.021 2.913 1.00 0.00 H new ATOM 81 N CYS A 9 -0.813 26.871 3.991 1.00 0.00 N ATOM 82 CA CYS A 9 -1.460 25.564 4.031 1.00 0.00 C ATOM 83 C CYS A 9 -0.445 24.464 4.324 1.00 0.00 C ATOM 84 O CYS A 9 0.374 24.120 3.473 1.00 0.00 O ATOM 85 CB CYS A 9 -2.168 25.281 2.705 1.00 0.00 C ATOM 86 SG CYS A 9 -3.455 26.480 2.285 1.00 0.00 S ATOM 0 H CYS A 9 -0.472 27.144 3.070 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.198 25.576 4.833 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.427 25.265 1.906 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.613 24.287 2.748 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.994 26.157 1.147 1.00 0.00 H new ATOM 92 N GLU A 10 -0.504 23.919 5.535 1.00 0.00 N ATOM 93 CA GLU A 10 0.412 22.860 5.941 1.00 0.00 C ATOM 94 C GLU A 10 -0.322 21.777 6.727 1.00 0.00 C ATOM 95 O GLU A 10 -1.443 21.984 7.193 1.00 0.00 O ATOM 96 CB GLU A 10 1.551 23.436 6.785 1.00 0.00 C ATOM 97 CG GLU A 10 1.092 24.007 8.117 1.00 0.00 C ATOM 98 CD GLU A 10 2.152 24.866 8.779 1.00 0.00 C ATOM 99 OE1 GLU A 10 3.347 24.677 8.471 1.00 0.00 O ATOM 100 OE2 GLU A 10 1.786 25.727 9.606 1.00 0.00 O ATOM 0 H GLU A 10 -1.176 24.193 6.251 1.00 0.00 H new ATOM 0 HA GLU A 10 0.829 22.410 5.040 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.287 22.654 6.969 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.053 24.219 6.217 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.192 24.602 7.962 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.823 23.189 8.785 1.00 0.00 H new ATOM 107 N VAL A 11 0.319 20.622 6.871 1.00 0.00 N ATOM 108 CA VAL A 11 -0.271 19.506 7.601 1.00 0.00 C ATOM 109 C VAL A 11 -0.723 19.937 8.992 1.00 0.00 C ATOM 110 O VAL A 11 -1.735 19.458 9.504 1.00 0.00 O ATOM 111 CB VAL A 11 0.721 18.335 7.735 1.00 0.00 C ATOM 112 CG1 VAL A 11 0.103 17.201 8.540 1.00 0.00 C ATOM 113 CG2 VAL A 11 1.159 17.849 6.362 1.00 0.00 C ATOM 0 H VAL A 11 1.247 20.434 6.492 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.136 19.175 7.027 1.00 0.00 H new ATOM 0 HB VAL A 11 1.604 18.688 8.269 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.818 16.383 8.624 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.156 17.561 9.536 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.797 16.846 8.037 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.860 17.022 6.475 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.288 17.512 5.800 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.644 18.664 5.825 1.00 0.00 H new ATOM 123 N TYR A 12 0.034 20.844 9.599 1.00 0.00 N ATOM 124 CA TYR A 12 -0.288 21.339 10.932 1.00 0.00 C ATOM 125 C TYR A 12 -1.565 22.173 10.911 1.00 0.00 C ATOM 126 O TYR A 12 -2.403 22.068 11.807 1.00 0.00 O ATOM 127 CB TYR A 12 0.870 22.175 11.482 1.00 0.00 C ATOM 128 CG TYR A 12 1.988 21.346 12.073 1.00 0.00 C ATOM 129 CD1 TYR A 12 1.887 20.822 13.356 1.00 0.00 C ATOM 130 CD2 TYR A 12 3.145 21.086 11.348 1.00 0.00 C ATOM 131 CE1 TYR A 12 2.906 20.065 13.900 1.00 0.00 C ATOM 132 CE2 TYR A 12 4.168 20.329 11.884 1.00 0.00 C ATOM 133 CZ TYR A 12 4.044 19.820 13.160 1.00 0.00 C ATOM 134 OH TYR A 12 5.062 19.066 13.698 1.00 0.00 O ATOM 0 H TYR A 12 0.875 21.251 9.189 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.448 20.478 11.582 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.273 22.794 10.680 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.488 22.852 12.246 1.00 0.00 H new ATOM 0 HD1 TYR A 12 0.997 21.010 13.938 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.246 21.483 10.349 1.00 0.00 H new ATOM 0 HE1 TYR A 12 2.812 19.667 14.900 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.061 20.136 11.307 1.00 0.00 H new ATOM 0 HH TYR A 12 5.790 18.987 13.047 1.00 0.00 H new ATOM 144 N ASP A 13 -1.707 23.000 9.881 1.00 0.00 N ATOM 145 CA ASP A 13 -2.883 23.851 9.740 1.00 0.00 C ATOM 146 C ASP A 13 -4.145 23.110 10.173 1.00 0.00 C ATOM 147 O ASP A 13 -4.422 21.995 9.732 1.00 0.00 O ATOM 148 CB ASP A 13 -3.026 24.324 8.293 1.00 0.00 C ATOM 149 CG ASP A 13 -3.780 25.635 8.184 1.00 0.00 C ATOM 150 OD1 ASP A 13 -4.990 25.651 8.491 1.00 0.00 O ATOM 151 OD2 ASP A 13 -3.159 26.645 7.793 1.00 0.00 O ATOM 0 H ASP A 13 -1.022 23.099 9.131 1.00 0.00 H new ATOM 0 HA ASP A 13 -2.753 24.719 10.387 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.036 24.440 7.852 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.545 23.560 7.714 1.00 0.00 H new ATOM 156 N PRO A 14 -4.928 23.743 11.058 1.00 0.00 N ATOM 157 CA PRO A 14 -6.173 23.163 11.571 1.00 0.00 C ATOM 158 C PRO A 14 -7.263 23.096 10.506 1.00 0.00 C ATOM 159 O PRO A 14 -8.227 22.344 10.639 1.00 0.00 O ATOM 160 CB PRO A 14 -6.578 24.125 12.691 1.00 0.00 C ATOM 161 CG PRO A 14 -5.947 25.423 12.322 1.00 0.00 C ATOM 162 CD PRO A 14 -4.660 25.075 11.627 1.00 0.00 C ATOM 0 HA PRO A 14 -6.037 22.134 11.903 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.662 24.217 12.761 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.225 23.775 13.661 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.599 26.002 11.668 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.761 26.032 13.207 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.413 25.801 10.852 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.821 25.053 12.322 1.00 0.00 H new ATOM 170 N ASN A 15 -7.102 23.887 9.451 1.00 0.00 N ATOM 171 CA ASN A 15 -8.073 23.918 8.363 1.00 0.00 C ATOM 172 C ASN A 15 -7.674 22.953 7.250 1.00 0.00 C ATOM 173 O ASN A 15 -8.473 22.643 6.368 1.00 0.00 O ATOM 174 CB ASN A 15 -8.199 25.336 7.803 1.00 0.00 C ATOM 175 CG ASN A 15 -8.529 26.354 8.877 1.00 0.00 C ATOM 176 OD1 ASN A 15 -7.635 26.935 9.494 1.00 0.00 O ATOM 177 ND2 ASN A 15 -9.818 26.576 9.106 1.00 0.00 N ATOM 0 H ASN A 15 -6.308 24.515 9.326 1.00 0.00 H new ATOM 0 HA ASN A 15 -9.038 23.606 8.762 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -7.265 25.616 7.316 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -8.975 25.354 7.038 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -10.101 27.251 9.817 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -10.525 26.072 8.571 1.00 0.00 H new ATOM 184 N ALA A 16 -6.432 22.483 7.300 1.00 0.00 N ATOM 185 CA ALA A 16 -5.927 21.552 6.298 1.00 0.00 C ATOM 186 C ALA A 16 -6.612 20.195 6.415 1.00 0.00 C ATOM 187 O ALA A 16 -6.371 19.446 7.364 1.00 0.00 O ATOM 188 CB ALA A 16 -4.419 21.398 6.434 1.00 0.00 C ATOM 0 H ALA A 16 -5.757 22.731 8.023 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.152 21.959 5.312 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.055 20.700 5.680 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.940 22.367 6.293 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.180 21.016 7.427 1.00 0.00 H new ATOM 194 N LEU A 17 -7.466 19.883 5.447 1.00 0.00 N ATOM 195 CA LEU A 17 -8.187 18.615 5.442 1.00 0.00 C ATOM 196 C LEU A 17 -8.333 18.077 4.022 1.00 0.00 C ATOM 197 O LEU A 17 -8.828 18.770 3.133 1.00 0.00 O ATOM 198 CB LEU A 17 -9.568 18.788 6.078 1.00 0.00 C ATOM 199 CG LEU A 17 -9.591 19.418 7.471 1.00 0.00 C ATOM 200 CD1 LEU A 17 -10.973 19.970 7.785 1.00 0.00 C ATOM 201 CD2 LEU A 17 -9.170 18.401 8.522 1.00 0.00 C ATOM 0 H LEU A 17 -7.676 20.491 4.655 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.612 17.896 6.026 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -10.178 19.401 5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -10.045 17.809 6.136 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.880 20.244 7.487 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.970 20.414 8.780 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -11.237 20.730 7.049 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -11.704 19.162 7.751 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.192 18.866 9.508 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.857 17.555 8.505 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.160 18.053 8.307 1.00 0.00 H new ATOM 213 N TYR A 18 -7.900 16.838 3.817 1.00 0.00 N ATOM 214 CA TYR A 18 -7.982 16.207 2.506 1.00 0.00 C ATOM 215 C TYR A 18 -9.010 15.079 2.507 1.00 0.00 C ATOM 216 O TYR A 18 -10.064 15.184 1.879 1.00 0.00 O ATOM 217 CB TYR A 18 -6.613 15.664 2.092 1.00 0.00 C ATOM 218 CG TYR A 18 -5.651 16.735 1.631 1.00 0.00 C ATOM 219 CD1 TYR A 18 -5.889 17.458 0.469 1.00 0.00 C ATOM 220 CD2 TYR A 18 -4.503 17.025 2.359 1.00 0.00 C ATOM 221 CE1 TYR A 18 -5.012 18.437 0.044 1.00 0.00 C ATOM 222 CE2 TYR A 18 -3.621 18.004 1.942 1.00 0.00 C ATOM 223 CZ TYR A 18 -3.880 18.706 0.784 1.00 0.00 C ATOM 224 OH TYR A 18 -3.005 19.682 0.365 1.00 0.00 O ATOM 0 H TYR A 18 -7.489 16.251 4.543 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.299 16.962 1.787 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -6.173 15.131 2.935 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -6.747 14.938 1.290 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.775 17.251 -0.112 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.297 16.476 3.266 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.212 18.989 -0.863 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.734 18.218 2.520 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.260 19.747 0.998 1.00 0.00 H new ATOM 234 N CYS A 19 -8.695 14.002 3.217 1.00 0.00 N ATOM 235 CA CYS A 19 -9.589 12.853 3.302 1.00 0.00 C ATOM 236 C CYS A 19 -10.954 13.266 3.845 1.00 0.00 C ATOM 237 O CYS A 19 -11.126 14.381 4.338 1.00 0.00 O ATOM 238 CB CYS A 19 -8.979 11.770 4.194 1.00 0.00 C ATOM 239 SG CYS A 19 -9.736 10.126 3.990 1.00 0.00 S ATOM 0 H CYS A 19 -7.827 13.900 3.743 1.00 0.00 H new ATOM 0 HA CYS A 19 -9.723 12.453 2.297 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -7.913 11.696 3.980 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.075 12.076 5.236 1.00 0.00 H new ATOM 244 N ILE A 20 -11.921 12.359 3.750 1.00 0.00 N ATOM 245 CA ILE A 20 -13.270 12.628 4.233 1.00 0.00 C ATOM 246 C ILE A 20 -13.320 12.622 5.757 1.00 0.00 C ATOM 247 O ILE A 20 -14.187 13.252 6.364 1.00 0.00 O ATOM 248 CB ILE A 20 -14.277 11.595 3.694 1.00 0.00 C ATOM 249 CG1 ILE A 20 -13.841 10.178 4.073 1.00 0.00 C ATOM 250 CG2 ILE A 20 -14.414 11.727 2.184 1.00 0.00 C ATOM 251 CD1 ILE A 20 -14.917 9.137 3.858 1.00 0.00 C ATOM 0 H ILE A 20 -11.795 11.432 3.343 1.00 0.00 H new ATOM 0 HA ILE A 20 -13.545 13.617 3.867 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.250 11.788 4.146 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.963 9.908 3.487 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.540 10.167 5.121 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -15.129 10.990 1.818 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -14.766 12.729 1.937 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -13.445 11.557 1.714 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -14.538 8.157 4.147 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.788 9.383 4.465 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -15.202 9.120 2.806 1.00 0.00 H new ATOM 263 N CYS A 21 -12.383 11.907 6.372 1.00 0.00 N ATOM 264 CA CYS A 21 -12.318 11.819 7.825 1.00 0.00 C ATOM 265 C CYS A 21 -11.613 13.038 8.413 1.00 0.00 C ATOM 266 O CYS A 21 -11.195 13.028 9.571 1.00 0.00 O ATOM 267 CB CYS A 21 -11.589 10.542 8.248 1.00 0.00 C ATOM 268 SG CYS A 21 -9.815 10.527 7.837 1.00 0.00 S ATOM 0 H CYS A 21 -11.658 11.380 5.885 1.00 0.00 H new ATOM 0 HA CYS A 21 -13.338 11.791 8.208 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.703 10.411 9.324 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -12.069 9.688 7.771 1.00 0.00 H new ATOM 273 N ARG A 22 -11.483 14.086 7.606 1.00 0.00 N ATOM 274 CA ARG A 22 -10.828 15.312 8.045 1.00 0.00 C ATOM 275 C ARG A 22 -9.498 15.004 8.725 1.00 0.00 C ATOM 276 O ARG A 22 -9.262 15.412 9.862 1.00 0.00 O ATOM 277 CB ARG A 22 -11.736 16.086 9.003 1.00 0.00 C ATOM 278 CG ARG A 22 -13.128 16.344 8.449 1.00 0.00 C ATOM 279 CD ARG A 22 -13.081 17.237 7.220 1.00 0.00 C ATOM 280 NE ARG A 22 -14.288 18.049 7.087 1.00 0.00 N ATOM 281 CZ ARG A 22 -14.525 18.851 6.055 1.00 0.00 C ATOM 282 NH1 ARG A 22 -13.642 18.948 5.070 1.00 0.00 N ATOM 283 NH2 ARG A 22 -15.646 19.557 6.005 1.00 0.00 N ATOM 0 H ARG A 22 -11.823 14.110 6.645 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.633 15.925 7.165 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -11.823 15.530 9.936 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.267 17.040 9.243 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.601 15.396 8.193 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.745 16.811 9.216 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.210 17.889 7.279 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.958 16.621 6.329 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.987 17.997 7.828 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.779 18.406 5.104 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -13.826 19.565 4.279 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.328 19.485 6.760 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -15.826 20.172 5.212 1.00 0.00 H new ATOM 297 N GLN A 23 -8.632 14.282 8.021 1.00 0.00 N ATOM 298 CA GLN A 23 -7.326 13.919 8.557 1.00 0.00 C ATOM 299 C GLN A 23 -6.214 14.292 7.583 1.00 0.00 C ATOM 300 O GLN A 23 -6.411 14.346 6.369 1.00 0.00 O ATOM 301 CB GLN A 23 -7.274 12.420 8.859 1.00 0.00 C ATOM 302 CG GLN A 23 -8.141 12.006 10.036 1.00 0.00 C ATOM 303 CD GLN A 23 -7.812 12.774 11.302 1.00 0.00 C ATOM 304 OE1 GLN A 23 -6.645 12.932 11.660 1.00 0.00 O ATOM 305 NE2 GLN A 23 -8.843 13.256 11.987 1.00 0.00 N ATOM 0 H GLN A 23 -8.812 13.937 7.078 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.174 14.475 9.482 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.590 11.868 7.974 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.242 12.134 9.061 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.190 12.162 9.783 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.013 10.939 10.219 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.794 13.101 11.653 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.683 13.781 12.847 1.00 0.00 H new ATOM 314 N PRO A 24 -5.016 14.558 8.125 1.00 0.00 N ATOM 315 CA PRO A 24 -3.848 14.931 7.320 1.00 0.00 C ATOM 316 C PRO A 24 -3.323 13.767 6.487 1.00 0.00 C ATOM 317 O PRO A 24 -3.925 12.693 6.452 1.00 0.00 O ATOM 318 CB PRO A 24 -2.814 15.347 8.369 1.00 0.00 C ATOM 319 CG PRO A 24 -3.209 14.612 9.603 1.00 0.00 C ATOM 320 CD PRO A 24 -4.709 14.513 9.564 1.00 0.00 C ATOM 0 HA PRO A 24 -4.083 15.714 6.598 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -1.804 15.082 8.056 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -2.825 16.425 8.530 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -2.753 13.622 9.630 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.876 15.141 10.496 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.063 13.589 10.022 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.180 15.336 10.101 1.00 0.00 H new ATOM 328 N HIS A 25 -2.196 13.987 5.816 1.00 0.00 N ATOM 329 CA HIS A 25 -1.589 12.955 4.983 1.00 0.00 C ATOM 330 C HIS A 25 -0.638 12.087 5.800 1.00 0.00 C ATOM 331 O HIS A 25 0.556 12.370 5.888 1.00 0.00 O ATOM 332 CB HIS A 25 -0.839 13.591 3.812 1.00 0.00 C ATOM 333 CG HIS A 25 0.123 12.661 3.141 1.00 0.00 C ATOM 334 ND1 HIS A 25 0.099 11.315 2.995 1.00 0.00 N flip ATOM 335 CD2 HIS A 25 1.278 13.091 2.522 1.00 0.00 C flip ATOM 336 CE1 HIS A 25 1.227 10.960 2.297 1.00 0.00 C flip ATOM 337 NE2 HIS A 25 1.921 12.050 2.023 1.00 0.00 N flip ATOM 0 H HIS A 25 -1.685 14.870 5.833 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.386 12.322 4.593 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.562 13.945 3.077 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.296 14.465 4.171 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.606 14.118 2.456 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.502 9.954 2.018 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.804 12.083 1.513 1.00 0.00 H new ATOM 346 N ASN A 26 -1.175 11.028 6.397 1.00 0.00 N ATOM 347 CA ASN A 26 -0.374 10.119 7.209 1.00 0.00 C ATOM 348 C ASN A 26 0.342 9.095 6.333 1.00 0.00 C ATOM 349 O ASN A 26 0.142 9.053 5.120 1.00 0.00 O ATOM 350 CB ASN A 26 -1.257 9.403 8.233 1.00 0.00 C ATOM 351 CG ASN A 26 -2.319 10.313 8.818 1.00 0.00 C ATOM 352 OD1 ASN A 26 -2.045 11.462 9.166 1.00 0.00 O ATOM 353 ND2 ASN A 26 -3.540 9.803 8.928 1.00 0.00 N ATOM 0 H ASN A 26 -2.162 10.778 6.334 1.00 0.00 H new ATOM 0 HA ASN A 26 0.376 10.708 7.736 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.737 8.547 7.759 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.633 9.014 9.037 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.296 10.369 9.314 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.722 8.846 8.627 1.00 0.00 H new ATOM 360 N ASN A 27 1.177 8.271 6.958 1.00 0.00 N ATOM 361 CA ASN A 27 1.922 7.247 6.235 1.00 0.00 C ATOM 362 C ASN A 27 1.002 6.452 5.314 1.00 0.00 C ATOM 363 O ASN A 27 1.349 6.168 4.168 1.00 0.00 O ATOM 364 CB ASN A 27 2.617 6.303 7.219 1.00 0.00 C ATOM 365 CG ASN A 27 1.659 5.732 8.247 1.00 0.00 C ATOM 366 OD1 ASN A 27 0.528 6.197 8.384 1.00 0.00 O ATOM 367 ND2 ASN A 27 2.110 4.717 8.975 1.00 0.00 N ATOM 0 H ASN A 27 1.354 8.292 7.962 1.00 0.00 H new ATOM 0 HA ASN A 27 2.675 7.744 5.624 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.083 5.486 6.667 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.417 6.839 7.730 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.511 4.291 9.682 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.055 4.364 8.827 1.00 0.00 H new ATOM 374 N ARG A 28 -0.172 6.096 5.824 1.00 0.00 N ATOM 375 CA ARG A 28 -1.143 5.333 5.048 1.00 0.00 C ATOM 376 C ARG A 28 -1.088 5.724 3.574 1.00 0.00 C ATOM 377 O ARG A 28 -0.808 6.875 3.236 1.00 0.00 O ATOM 378 CB ARG A 28 -2.554 5.557 5.594 1.00 0.00 C ATOM 379 CG ARG A 28 -2.763 4.994 6.991 1.00 0.00 C ATOM 380 CD ARG A 28 -3.976 5.616 7.666 1.00 0.00 C ATOM 381 NE ARG A 28 -4.021 5.315 9.094 1.00 0.00 N ATOM 382 CZ ARG A 28 -5.137 5.338 9.815 1.00 0.00 C ATOM 383 NH1 ARG A 28 -6.293 5.646 9.244 1.00 0.00 N ATOM 384 NH2 ARG A 28 -5.097 5.052 11.110 1.00 0.00 N ATOM 0 H ARG A 28 -0.474 6.323 6.771 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.891 4.276 5.136 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.764 6.627 5.607 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.274 5.099 4.916 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.891 3.913 6.934 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.875 5.178 7.595 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.956 6.696 7.524 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.885 5.248 7.189 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.148 5.074 9.564 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.328 5.866 8.249 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.148 5.663 9.800 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.209 4.814 11.553 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.954 5.070 11.663 1.00 0.00 H new ATOM 398 N PHE A 29 -1.357 4.760 2.701 1.00 0.00 N ATOM 399 CA PHE A 29 -1.337 5.002 1.263 1.00 0.00 C ATOM 400 C PHE A 29 -2.404 6.019 0.868 1.00 0.00 C ATOM 401 O PHE A 29 -3.517 6.002 1.393 1.00 0.00 O ATOM 402 CB PHE A 29 -1.556 3.694 0.500 1.00 0.00 C ATOM 403 CG PHE A 29 -1.662 3.878 -0.987 1.00 0.00 C ATOM 404 CD1 PHE A 29 -0.602 4.397 -1.712 1.00 0.00 C ATOM 405 CD2 PHE A 29 -2.823 3.531 -1.659 1.00 0.00 C ATOM 406 CE1 PHE A 29 -0.697 4.567 -3.080 1.00 0.00 C ATOM 407 CE2 PHE A 29 -2.923 3.698 -3.028 1.00 0.00 C ATOM 408 CZ PHE A 29 -1.859 4.218 -3.739 1.00 0.00 C ATOM 0 H PHE A 29 -1.592 3.803 2.964 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.359 5.407 1.002 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.732 3.014 0.716 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.466 3.218 0.865 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.309 4.672 -1.202 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.659 3.126 -1.108 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.137 4.973 -3.633 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.832 3.422 -3.541 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.936 4.351 -4.808 1.00 0.00 H new ATOM 418 N MET A 30 -2.056 6.904 -0.060 1.00 0.00 N ATOM 419 CA MET A 30 -2.984 7.928 -0.526 1.00 0.00 C ATOM 420 C MET A 30 -2.910 8.079 -2.042 1.00 0.00 C ATOM 421 O MET A 30 -1.866 7.838 -2.649 1.00 0.00 O ATOM 422 CB MET A 30 -2.678 9.267 0.147 1.00 0.00 C ATOM 423 CG MET A 30 -2.913 9.260 1.649 1.00 0.00 C ATOM 424 SD MET A 30 -4.579 9.785 2.095 1.00 0.00 S ATOM 425 CE MET A 30 -4.262 11.441 2.699 1.00 0.00 C ATOM 0 H MET A 30 -1.138 6.933 -0.504 1.00 0.00 H new ATOM 0 HA MET A 30 -3.994 7.617 -0.259 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.639 9.534 -0.049 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.297 10.042 -0.306 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.737 8.256 2.035 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.188 9.918 2.129 1.00 0.00 H new ATOM 0 HE1 MET A 30 -4.377 11.461 3.783 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.246 11.736 2.437 1.00 0.00 H new ATOM 0 HE3 MET A 30 -4.970 12.135 2.246 1.00 0.00 H new ATOM 435 N ILE A 31 -4.023 8.479 -2.647 1.00 0.00 N ATOM 436 CA ILE A 31 -4.083 8.663 -4.092 1.00 0.00 C ATOM 437 C ILE A 31 -4.877 9.913 -4.455 1.00 0.00 C ATOM 438 O ILE A 31 -5.730 10.363 -3.688 1.00 0.00 O ATOM 439 CB ILE A 31 -4.718 7.444 -4.788 1.00 0.00 C ATOM 440 CG1 ILE A 31 -6.218 7.384 -4.491 1.00 0.00 C ATOM 441 CG2 ILE A 31 -4.032 6.162 -4.342 1.00 0.00 C ATOM 442 CD1 ILE A 31 -6.542 7.401 -3.014 1.00 0.00 C ATOM 0 H ILE A 31 -4.896 8.682 -2.159 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.056 8.775 -4.439 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.584 7.548 -5.865 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.710 8.229 -4.972 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.632 6.479 -4.935 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.492 5.310 -4.843 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.974 6.207 -4.600 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.138 6.049 -3.263 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.623 7.356 -2.878 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.079 6.541 -2.530 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.158 8.318 -2.568 1.00 0.00 H new ATOM 454 N CYS A 32 -4.593 10.468 -5.628 1.00 0.00 N ATOM 455 CA CYS A 32 -5.282 11.666 -6.094 1.00 0.00 C ATOM 456 C CYS A 32 -6.420 11.305 -7.043 1.00 0.00 C ATOM 457 O CYS A 32 -6.207 11.117 -8.241 1.00 0.00 O ATOM 458 CB CYS A 32 -4.298 12.606 -6.791 1.00 0.00 C ATOM 459 SG CYS A 32 -4.824 14.336 -6.820 1.00 0.00 S ATOM 0 H CYS A 32 -3.890 10.108 -6.274 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.705 12.173 -5.227 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.332 12.539 -6.290 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.150 12.265 -7.816 1.00 0.00 H new ATOM 0 HG CYS A 32 -3.926 15.053 -7.428 1.00 0.00 H new ATOM 465 N CYS A 33 -7.629 11.208 -6.500 1.00 0.00 N ATOM 466 CA CYS A 33 -8.800 10.867 -7.297 1.00 0.00 C ATOM 467 C CYS A 33 -8.801 11.631 -8.618 1.00 0.00 C ATOM 468 O CYS A 33 -8.027 12.570 -8.804 1.00 0.00 O ATOM 469 CB CYS A 33 -10.081 11.174 -6.518 1.00 0.00 C ATOM 470 SG CYS A 33 -11.570 10.367 -7.186 1.00 0.00 S ATOM 0 H CYS A 33 -7.823 11.361 -5.510 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.761 9.800 -7.514 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -9.946 10.863 -5.482 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -10.238 12.253 -6.509 1.00 0.00 H new ATOM 475 N ASP A 34 -9.673 11.221 -9.532 1.00 0.00 N ATOM 476 CA ASP A 34 -9.776 11.867 -10.835 1.00 0.00 C ATOM 477 C ASP A 34 -11.045 12.708 -10.926 1.00 0.00 C ATOM 478 O ASP A 34 -11.064 13.752 -11.579 1.00 0.00 O ATOM 479 CB ASP A 34 -9.763 10.819 -11.950 1.00 0.00 C ATOM 480 CG ASP A 34 -10.406 11.324 -13.226 1.00 0.00 C ATOM 481 OD1 ASP A 34 -9.903 12.317 -13.792 1.00 0.00 O ATOM 482 OD2 ASP A 34 -11.412 10.725 -13.660 1.00 0.00 O ATOM 0 H ASP A 34 -10.319 10.444 -9.395 1.00 0.00 H new ATOM 0 HA ASP A 34 -8.916 12.526 -10.955 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.734 10.525 -12.157 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.287 9.926 -11.611 1.00 0.00 H new ATOM 487 N ARG A 35 -12.103 12.247 -10.268 1.00 0.00 N ATOM 488 CA ARG A 35 -13.377 12.956 -10.277 1.00 0.00 C ATOM 489 C ARG A 35 -13.316 14.194 -9.387 1.00 0.00 C ATOM 490 O ARG A 35 -13.440 15.322 -9.865 1.00 0.00 O ATOM 491 CB ARG A 35 -14.503 12.033 -9.807 1.00 0.00 C ATOM 492 CG ARG A 35 -15.013 11.095 -10.889 1.00 0.00 C ATOM 493 CD ARG A 35 -15.979 11.800 -11.827 1.00 0.00 C ATOM 494 NE ARG A 35 -15.283 12.599 -12.832 1.00 0.00 N ATOM 495 CZ ARG A 35 -15.890 13.473 -13.626 1.00 0.00 C ATOM 496 NH1 ARG A 35 -17.200 13.661 -13.533 1.00 0.00 N ATOM 497 NH2 ARG A 35 -15.188 14.163 -14.516 1.00 0.00 N ATOM 0 H ARG A 35 -12.104 11.386 -9.722 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.580 13.273 -11.300 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -14.148 11.442 -8.963 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -15.332 12.641 -9.444 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.171 10.704 -11.459 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -15.510 10.241 -10.428 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -16.607 11.060 -12.324 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.642 12.443 -11.248 1.00 0.00 H new ATOM 0 HE ARG A 35 -14.275 12.479 -12.929 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -17.744 13.133 -12.850 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -17.663 14.333 -14.144 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.181 14.022 -14.591 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -15.656 14.834 -15.125 1.00 0.00 H new ATOM 511 N CYS A 36 -13.125 13.976 -8.091 1.00 0.00 N ATOM 512 CA CYS A 36 -13.048 15.073 -7.133 1.00 0.00 C ATOM 513 C CYS A 36 -11.613 15.569 -6.989 1.00 0.00 C ATOM 514 O CYS A 36 -11.378 16.736 -6.677 1.00 0.00 O ATOM 515 CB CYS A 36 -13.585 14.627 -5.771 1.00 0.00 C ATOM 516 SG CYS A 36 -12.641 13.267 -5.009 1.00 0.00 S ATOM 0 H CYS A 36 -13.021 13.049 -7.679 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.661 15.893 -7.507 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -13.582 15.481 -5.094 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -14.623 14.315 -5.886 1.00 0.00 H new ATOM 521 N GLU A 37 -10.657 14.674 -7.218 1.00 0.00 N ATOM 522 CA GLU A 37 -9.245 15.022 -7.113 1.00 0.00 C ATOM 523 C GLU A 37 -8.871 15.350 -5.670 1.00 0.00 C ATOM 524 O GLU A 37 -8.336 16.421 -5.385 1.00 0.00 O ATOM 525 CB GLU A 37 -8.921 16.213 -8.018 1.00 0.00 C ATOM 526 CG GLU A 37 -9.353 16.015 -9.462 1.00 0.00 C ATOM 527 CD GLU A 37 -9.226 17.281 -10.287 1.00 0.00 C ATOM 528 OE1 GLU A 37 -8.405 18.148 -9.923 1.00 0.00 O ATOM 529 OE2 GLU A 37 -9.949 17.404 -11.298 1.00 0.00 O ATOM 0 H GLU A 37 -10.835 13.704 -7.477 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.660 14.160 -7.435 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.408 17.104 -7.621 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.847 16.398 -7.991 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.748 15.229 -9.914 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.388 15.673 -9.484 1.00 0.00 H new ATOM 536 N GLU A 38 -9.157 14.419 -4.765 1.00 0.00 N ATOM 537 CA GLU A 38 -8.852 14.610 -3.352 1.00 0.00 C ATOM 538 C GLU A 38 -7.980 13.474 -2.826 1.00 0.00 C ATOM 539 O GLU A 38 -8.001 12.364 -3.357 1.00 0.00 O ATOM 540 CB GLU A 38 -10.144 14.696 -2.536 1.00 0.00 C ATOM 541 CG GLU A 38 -10.654 16.116 -2.353 1.00 0.00 C ATOM 542 CD GLU A 38 -10.828 16.848 -3.669 1.00 0.00 C ATOM 543 OE1 GLU A 38 -11.866 16.639 -4.332 1.00 0.00 O ATOM 544 OE2 GLU A 38 -9.926 17.630 -4.036 1.00 0.00 O ATOM 0 H GLU A 38 -9.599 13.526 -4.985 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.302 15.545 -3.248 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.915 14.102 -3.028 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.975 14.250 -1.556 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.608 16.090 -1.827 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.958 16.670 -1.723 1.00 0.00 H new ATOM 551 N TRP A 39 -7.215 13.760 -1.779 1.00 0.00 N ATOM 552 CA TRP A 39 -6.334 12.763 -1.180 1.00 0.00 C ATOM 553 C TRP A 39 -7.049 12.003 -0.068 1.00 0.00 C ATOM 554 O TRP A 39 -7.323 12.556 0.997 1.00 0.00 O ATOM 555 CB TRP A 39 -5.073 13.431 -0.629 1.00 0.00 C ATOM 556 CG TRP A 39 -4.196 14.014 -1.696 1.00 0.00 C ATOM 557 CD1 TRP A 39 -4.165 15.314 -2.112 1.00 0.00 C ATOM 558 CD2 TRP A 39 -3.224 13.316 -2.482 1.00 0.00 C ATOM 559 NE1 TRP A 39 -3.233 15.467 -3.110 1.00 0.00 N ATOM 560 CE2 TRP A 39 -2.641 14.256 -3.354 1.00 0.00 C ATOM 561 CE3 TRP A 39 -2.788 11.989 -2.533 1.00 0.00 C ATOM 562 CZ2 TRP A 39 -1.647 13.909 -4.266 1.00 0.00 C ATOM 563 CZ3 TRP A 39 -1.802 11.646 -3.438 1.00 0.00 C ATOM 564 CH2 TRP A 39 -1.240 12.603 -4.294 1.00 0.00 C ATOM 0 H TRP A 39 -7.187 14.674 -1.327 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.050 12.052 -1.956 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.362 14.220 0.065 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.502 12.698 -0.059 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.783 16.106 -1.715 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.017 16.340 -3.591 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -3.214 11.245 -1.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.213 14.644 -4.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.459 10.623 -3.487 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -0.470 12.304 -4.990 1.00 0.00 H new ATOM 575 N PHE A 40 -7.348 10.734 -0.322 1.00 0.00 N ATOM 576 CA PHE A 40 -8.032 9.898 0.658 1.00 0.00 C ATOM 577 C PHE A 40 -7.158 8.716 1.069 1.00 0.00 C ATOM 578 O PHE A 40 -6.222 8.345 0.360 1.00 0.00 O ATOM 579 CB PHE A 40 -9.360 9.393 0.091 1.00 0.00 C ATOM 580 CG PHE A 40 -10.228 10.485 -0.466 1.00 0.00 C ATOM 581 CD1 PHE A 40 -10.981 11.287 0.376 1.00 0.00 C ATOM 582 CD2 PHE A 40 -10.292 10.709 -1.832 1.00 0.00 C ATOM 583 CE1 PHE A 40 -11.780 12.293 -0.133 1.00 0.00 C ATOM 584 CE2 PHE A 40 -11.089 11.713 -2.347 1.00 0.00 C ATOM 585 CZ PHE A 40 -11.835 12.505 -1.497 1.00 0.00 C ATOM 0 H PHE A 40 -7.127 10.261 -1.199 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.230 10.505 1.541 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -9.157 8.665 -0.694 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.906 8.871 0.877 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.943 11.124 1.443 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.712 10.091 -2.502 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -12.361 12.913 0.534 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -11.129 11.878 -3.414 1.00 0.00 H new ATOM 0 HZ PHE A 40 -12.460 13.289 -1.898 1.00 0.00 H new ATOM 595 N HIS A 41 -7.471 8.129 2.220 1.00 0.00 N ATOM 596 CA HIS A 41 -6.716 6.989 2.726 1.00 0.00 C ATOM 597 C HIS A 41 -7.257 5.682 2.155 1.00 0.00 C ATOM 598 O HIS A 41 -8.452 5.402 2.243 1.00 0.00 O ATOM 599 CB HIS A 41 -6.770 6.952 4.254 1.00 0.00 C ATOM 600 CG HIS A 41 -6.186 8.169 4.903 1.00 0.00 C ATOM 601 ND1 HIS A 41 -6.897 8.977 5.765 1.00 0.00 N ATOM 602 CD2 HIS A 41 -4.950 8.713 4.813 1.00 0.00 C ATOM 603 CE1 HIS A 41 -6.124 9.966 6.176 1.00 0.00 C ATOM 604 NE2 HIS A 41 -4.937 9.829 5.613 1.00 0.00 N ATOM 0 H HIS A 41 -8.242 8.424 2.819 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.679 7.102 2.409 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -7.807 6.844 4.570 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -6.236 6.070 4.607 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -4.127 8.339 4.222 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -6.413 10.753 6.857 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -4.140 10.451 5.750 1.00 0.00 H new ATOM 612 N GLY A 42 -6.369 4.885 1.568 1.00 0.00 N ATOM 613 CA GLY A 42 -6.777 3.618 0.990 1.00 0.00 C ATOM 614 C GLY A 42 -7.885 2.951 1.780 1.00 0.00 C ATOM 615 O GLY A 42 -8.963 2.684 1.247 1.00 0.00 O ATOM 0 H GLY A 42 -5.374 5.094 1.483 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.112 3.781 -0.034 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.917 2.950 0.942 1.00 0.00 H new ATOM 619 N ASP A 43 -7.621 2.678 3.053 1.00 0.00 N ATOM 620 CA ASP A 43 -8.605 2.037 3.918 1.00 0.00 C ATOM 621 C ASP A 43 -9.907 2.831 3.942 1.00 0.00 C ATOM 622 O ASP A 43 -10.995 2.263 3.844 1.00 0.00 O ATOM 623 CB ASP A 43 -8.053 1.895 5.337 1.00 0.00 C ATOM 624 CG ASP A 43 -6.621 1.396 5.354 1.00 0.00 C ATOM 625 OD1 ASP A 43 -6.257 0.608 4.457 1.00 0.00 O ATOM 626 OD2 ASP A 43 -5.866 1.794 6.265 1.00 0.00 O ATOM 0 H ASP A 43 -6.734 2.891 3.509 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.813 1.045 3.517 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.105 2.860 5.842 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.682 1.206 5.901 1.00 0.00 H new ATOM 631 N CYS A 44 -9.788 4.148 4.073 1.00 0.00 N ATOM 632 CA CYS A 44 -10.955 5.022 4.112 1.00 0.00 C ATOM 633 C CYS A 44 -11.812 4.840 2.863 1.00 0.00 C ATOM 634 O CYS A 44 -13.034 4.714 2.948 1.00 0.00 O ATOM 635 CB CYS A 44 -10.520 6.483 4.238 1.00 0.00 C ATOM 636 SG CYS A 44 -10.209 7.022 5.950 1.00 0.00 S ATOM 0 H CYS A 44 -8.895 4.634 4.154 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.552 4.752 4.983 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -9.614 6.633 3.651 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.291 7.119 3.803 1.00 0.00 H new ATOM 641 N VAL A 45 -11.163 4.829 1.703 1.00 0.00 N ATOM 642 CA VAL A 45 -11.864 4.661 0.436 1.00 0.00 C ATOM 643 C VAL A 45 -11.752 3.227 -0.070 1.00 0.00 C ATOM 644 O VAL A 45 -11.994 2.951 -1.244 1.00 0.00 O ATOM 645 CB VAL A 45 -11.315 5.618 -0.640 1.00 0.00 C ATOM 646 CG1 VAL A 45 -11.555 7.065 -0.240 1.00 0.00 C ATOM 647 CG2 VAL A 45 -9.835 5.360 -0.877 1.00 0.00 C ATOM 0 H VAL A 45 -10.152 4.935 1.615 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.912 4.896 0.621 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.847 5.431 -1.573 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.161 7.726 -1.012 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.625 7.238 -0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.052 7.270 0.705 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.464 6.045 -1.640 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.285 5.518 0.051 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.694 4.332 -1.212 1.00 0.00 H new ATOM 657 N GLY A 46 -11.382 2.317 0.826 1.00 0.00 N ATOM 658 CA GLY A 46 -11.244 0.922 0.453 1.00 0.00 C ATOM 659 C GLY A 46 -9.918 0.630 -0.220 1.00 0.00 C ATOM 660 O GLY A 46 -9.214 -0.306 0.160 1.00 0.00 O ATOM 0 H GLY A 46 -11.175 2.521 1.804 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.341 0.300 1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.057 0.647 -0.219 1.00 0.00 H new ATOM 664 N ILE A 47 -9.576 1.431 -1.224 1.00 0.00 N ATOM 665 CA ILE A 47 -8.326 1.253 -1.951 1.00 0.00 C ATOM 666 C ILE A 47 -7.213 0.777 -1.023 1.00 0.00 C ATOM 667 O ILE A 47 -7.190 1.116 0.160 1.00 0.00 O ATOM 668 CB ILE A 47 -7.883 2.559 -2.637 1.00 0.00 C ATOM 669 CG1 ILE A 47 -8.925 2.998 -3.668 1.00 0.00 C ATOM 670 CG2 ILE A 47 -6.523 2.377 -3.295 1.00 0.00 C ATOM 671 CD1 ILE A 47 -8.910 2.169 -4.933 1.00 0.00 C ATOM 0 H ILE A 47 -10.148 2.209 -1.552 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.509 0.496 -2.713 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.797 3.339 -1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.916 2.941 -3.218 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.751 4.043 -3.926 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.224 3.308 -3.775 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.786 2.106 -2.539 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.583 1.586 -4.043 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.674 2.537 -5.618 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.931 2.245 -5.406 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.114 1.127 -4.687 1.00 0.00 H new ATOM 683 N SER A 48 -6.291 -0.009 -1.569 1.00 0.00 N ATOM 684 CA SER A 48 -5.176 -0.534 -0.790 1.00 0.00 C ATOM 685 C SER A 48 -3.842 -0.098 -1.388 1.00 0.00 C ATOM 686 O SER A 48 -3.740 0.147 -2.590 1.00 0.00 O ATOM 687 CB SER A 48 -5.244 -2.061 -0.726 1.00 0.00 C ATOM 688 OG SER A 48 -6.107 -2.490 0.313 1.00 0.00 O ATOM 0 H SER A 48 -6.294 -0.296 -2.548 1.00 0.00 H new ATOM 0 HA SER A 48 -5.251 -0.132 0.220 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.596 -2.453 -1.680 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.245 -2.466 -0.564 1.00 0.00 H new ATOM 0 HG SER A 48 -6.135 -3.469 0.332 1.00 0.00 H new ATOM 694 N GLU A 49 -2.822 -0.004 -0.541 1.00 0.00 N ATOM 695 CA GLU A 49 -1.495 0.404 -0.986 1.00 0.00 C ATOM 696 C GLU A 49 -1.175 -0.189 -2.355 1.00 0.00 C ATOM 697 O GLU A 49 -0.899 0.538 -3.309 1.00 0.00 O ATOM 698 CB GLU A 49 -0.437 -0.030 0.031 1.00 0.00 C ATOM 699 CG GLU A 49 0.861 0.754 -0.070 1.00 0.00 C ATOM 700 CD GLU A 49 1.616 0.803 1.245 1.00 0.00 C ATOM 701 OE1 GLU A 49 1.310 1.686 2.073 1.00 0.00 O ATOM 702 OE2 GLU A 49 2.512 -0.043 1.445 1.00 0.00 O ATOM 0 H GLU A 49 -2.889 -0.205 0.457 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.485 1.491 -1.069 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.843 0.083 1.036 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.224 -1.090 -0.109 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.496 0.303 -0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.643 1.770 -0.398 1.00 0.00 H new ATOM 709 N ALA A 50 -1.212 -1.515 -2.443 1.00 0.00 N ATOM 710 CA ALA A 50 -0.928 -2.205 -3.694 1.00 0.00 C ATOM 711 C ALA A 50 -1.977 -1.879 -4.752 1.00 0.00 C ATOM 712 O ALA A 50 -1.643 -1.473 -5.866 1.00 0.00 O ATOM 713 CB ALA A 50 -0.857 -3.708 -3.464 1.00 0.00 C ATOM 0 H ALA A 50 -1.436 -2.132 -1.662 1.00 0.00 H new ATOM 0 HA ALA A 50 0.039 -1.858 -4.060 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.644 -4.211 -4.407 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.065 -3.930 -2.748 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.810 -4.061 -3.072 1.00 0.00 H new ATOM 719 N ARG A 51 -3.244 -2.061 -4.398 1.00 0.00 N ATOM 720 CA ARG A 51 -4.342 -1.788 -5.318 1.00 0.00 C ATOM 721 C ARG A 51 -4.070 -0.523 -6.127 1.00 0.00 C ATOM 722 O ARG A 51 -4.294 -0.487 -7.337 1.00 0.00 O ATOM 723 CB ARG A 51 -5.656 -1.642 -4.549 1.00 0.00 C ATOM 724 CG ARG A 51 -6.877 -2.079 -5.341 1.00 0.00 C ATOM 725 CD ARG A 51 -7.216 -3.538 -5.082 1.00 0.00 C ATOM 726 NE ARG A 51 -8.598 -3.850 -5.436 1.00 0.00 N ATOM 727 CZ ARG A 51 -9.022 -5.073 -5.738 1.00 0.00 C ATOM 728 NH1 ARG A 51 -8.175 -6.093 -5.728 1.00 0.00 N ATOM 729 NH2 ARG A 51 -10.295 -5.277 -6.050 1.00 0.00 N ATOM 0 H ARG A 51 -3.536 -2.397 -3.480 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.424 -2.629 -6.007 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.598 -2.230 -3.633 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.780 -0.601 -4.252 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.729 -1.453 -5.073 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.694 -1.930 -6.405 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.542 -4.174 -5.656 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.051 -3.767 -4.029 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.275 -3.087 -5.452 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.195 -5.940 -5.488 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.503 -7.031 -5.960 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.950 -4.495 -6.058 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.619 -6.216 -6.282 1.00 0.00 H new ATOM 743 N GLY A 52 -3.587 0.514 -5.451 1.00 0.00 N ATOM 744 CA GLY A 52 -3.293 1.767 -6.123 1.00 0.00 C ATOM 745 C GLY A 52 -1.888 1.806 -6.689 1.00 0.00 C ATOM 746 O GLY A 52 -1.702 1.931 -7.899 1.00 0.00 O ATOM 0 H GLY A 52 -3.394 0.510 -4.449 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.010 1.920 -6.929 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.421 2.591 -5.421 1.00 0.00 H new ATOM 750 N ARG A 53 -0.895 1.700 -5.811 1.00 0.00 N ATOM 751 CA ARG A 53 0.501 1.727 -6.231 1.00 0.00 C ATOM 752 C ARG A 53 0.685 0.992 -7.555 1.00 0.00 C ATOM 753 O ARG A 53 1.423 1.445 -8.431 1.00 0.00 O ATOM 754 CB ARG A 53 1.390 1.096 -5.157 1.00 0.00 C ATOM 755 CG ARG A 53 1.889 2.088 -4.119 1.00 0.00 C ATOM 756 CD ARG A 53 3.225 2.693 -4.523 1.00 0.00 C ATOM 757 NE ARG A 53 3.524 3.909 -3.773 1.00 0.00 N ATOM 758 CZ ARG A 53 3.083 5.114 -4.119 1.00 0.00 C ATOM 759 NH1 ARG A 53 2.326 5.261 -5.198 1.00 0.00 N ATOM 760 NH2 ARG A 53 3.398 6.173 -3.385 1.00 0.00 N ATOM 0 H ARG A 53 -1.031 1.595 -4.806 1.00 0.00 H new ATOM 0 HA ARG A 53 0.793 2.768 -6.370 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.832 0.306 -4.654 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.247 0.624 -5.638 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.153 2.882 -3.990 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.991 1.588 -3.156 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.018 1.963 -4.360 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.213 2.918 -5.589 1.00 0.00 H new ATOM 0 HE ARG A 53 4.103 3.830 -2.937 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.081 4.448 -5.764 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.988 6.187 -5.462 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.979 6.063 -2.554 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.059 7.097 -3.652 1.00 0.00 H new ATOM 774 N LEU A 54 0.011 -0.143 -7.694 1.00 0.00 N ATOM 775 CA LEU A 54 0.100 -0.942 -8.912 1.00 0.00 C ATOM 776 C LEU A 54 -0.698 -0.301 -10.043 1.00 0.00 C ATOM 777 O LEU A 54 -0.176 -0.081 -11.138 1.00 0.00 O ATOM 778 CB LEU A 54 -0.411 -2.361 -8.654 1.00 0.00 C ATOM 779 CG LEU A 54 0.550 -3.296 -7.919 1.00 0.00 C ATOM 780 CD1 LEU A 54 -0.110 -4.641 -7.658 1.00 0.00 C ATOM 781 CD2 LEU A 54 1.834 -3.476 -8.717 1.00 0.00 C ATOM 0 H LEU A 54 -0.604 -0.532 -6.979 1.00 0.00 H new ATOM 0 HA LEU A 54 1.147 -0.988 -9.211 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.334 -2.294 -8.078 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.666 -2.814 -9.612 1.00 0.00 H new ATOM 0 HG LEU A 54 0.802 -2.845 -6.959 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.589 -5.294 -7.134 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.000 -4.497 -7.046 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.392 -5.098 -8.607 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.506 -4.144 -8.179 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.600 -3.904 -9.692 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.317 -2.508 -8.853 1.00 0.00 H new ATOM 793 N LEU A 55 -1.963 -0.001 -9.772 1.00 0.00 N ATOM 794 CA LEU A 55 -2.833 0.618 -10.767 1.00 0.00 C ATOM 795 C LEU A 55 -2.074 1.664 -11.578 1.00 0.00 C ATOM 796 O LEU A 55 -2.278 1.794 -12.784 1.00 0.00 O ATOM 797 CB LEU A 55 -4.041 1.262 -10.085 1.00 0.00 C ATOM 798 CG LEU A 55 -3.948 2.768 -9.837 1.00 0.00 C ATOM 799 CD1 LEU A 55 -4.255 3.540 -11.111 1.00 0.00 C ATOM 800 CD2 LEU A 55 -4.893 3.184 -8.719 1.00 0.00 C ATOM 0 H LEU A 55 -2.410 -0.176 -8.872 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.179 -0.160 -11.447 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.923 1.068 -10.695 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.200 0.766 -9.128 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.929 3.003 -9.531 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.184 4.610 -10.914 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.538 3.265 -11.885 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.263 3.299 -11.448 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.813 4.259 -8.556 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.917 2.934 -8.996 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.626 2.658 -7.803 1.00 0.00 H new ATOM 812 N GLU A 56 -1.198 2.405 -10.907 1.00 0.00 N ATOM 813 CA GLU A 56 -0.409 3.438 -11.566 1.00 0.00 C ATOM 814 C GLU A 56 0.377 2.857 -12.738 1.00 0.00 C ATOM 815 O GLU A 56 0.069 3.125 -13.900 1.00 0.00 O ATOM 816 CB GLU A 56 0.550 4.093 -10.570 1.00 0.00 C ATOM 817 CG GLU A 56 0.878 5.539 -10.901 1.00 0.00 C ATOM 818 CD GLU A 56 -0.128 6.513 -10.319 1.00 0.00 C ATOM 819 OE1 GLU A 56 -0.140 6.688 -9.083 1.00 0.00 O ATOM 820 OE2 GLU A 56 -0.904 7.101 -11.101 1.00 0.00 O ATOM 0 H GLU A 56 -1.017 2.309 -9.908 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.095 4.194 -11.949 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.111 4.048 -9.573 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.475 3.518 -10.538 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.871 5.778 -10.522 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.912 5.661 -11.984 1.00 0.00 H new ATOM 827 N ARG A 57 1.394 2.061 -12.425 1.00 0.00 N ATOM 828 CA ARG A 57 2.225 1.443 -13.451 1.00 0.00 C ATOM 829 C ARG A 57 1.364 0.796 -14.531 1.00 0.00 C ATOM 830 O ARG A 57 1.691 0.853 -15.716 1.00 0.00 O ATOM 831 CB ARG A 57 3.150 0.397 -12.826 1.00 0.00 C ATOM 832 CG ARG A 57 2.409 -0.743 -12.147 1.00 0.00 C ATOM 833 CD ARG A 57 3.332 -1.919 -11.868 1.00 0.00 C ATOM 834 NE ARG A 57 4.133 -1.713 -10.664 1.00 0.00 N ATOM 835 CZ ARG A 57 5.291 -1.063 -10.655 1.00 0.00 C ATOM 836 NH1 ARG A 57 5.781 -0.558 -11.780 1.00 0.00 N ATOM 837 NH2 ARG A 57 5.962 -0.916 -9.520 1.00 0.00 N ATOM 0 H ARG A 57 1.662 1.829 -11.469 1.00 0.00 H new ATOM 0 HA ARG A 57 2.830 2.224 -13.912 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.798 -0.013 -13.601 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.796 0.885 -12.096 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.975 -0.390 -11.212 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.583 -1.069 -12.779 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.739 -2.827 -11.758 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.993 -2.071 -12.721 1.00 0.00 H new ATOM 0 HE ARG A 57 3.784 -2.089 -9.782 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.268 -0.669 -12.655 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.671 -0.059 -11.770 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.589 -1.302 -8.653 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.851 -0.417 -9.514 1.00 0.00 H new ATOM 851 N ASN A 58 0.263 0.181 -14.114 1.00 0.00 N ATOM 852 CA ASN A 58 -0.645 -0.478 -15.046 1.00 0.00 C ATOM 853 C ASN A 58 -1.322 0.540 -15.957 1.00 0.00 C ATOM 854 O ASN A 58 -1.474 0.311 -17.157 1.00 0.00 O ATOM 855 CB ASN A 58 -1.702 -1.278 -14.281 1.00 0.00 C ATOM 856 CG ASN A 58 -1.166 -2.599 -13.765 1.00 0.00 C ATOM 857 OD1 ASN A 58 -0.841 -3.496 -14.543 1.00 0.00 O ATOM 858 ND2 ASN A 58 -1.073 -2.725 -12.446 1.00 0.00 N ATOM 0 H ASN A 58 -0.023 0.125 -13.136 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.060 -1.159 -15.664 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.066 -0.685 -13.442 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.555 -1.465 -14.934 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.721 -3.592 -12.040 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -1.354 -1.955 -11.839 1.00 0.00 H new ATOM 865 N GLY A 59 -1.727 1.667 -15.379 1.00 0.00 N ATOM 866 CA GLY A 59 -2.383 2.704 -16.154 1.00 0.00 C ATOM 867 C GLY A 59 -3.894 2.637 -16.051 1.00 0.00 C ATOM 868 O GLY A 59 -4.595 2.733 -17.058 1.00 0.00 O ATOM 0 H GLY A 59 -1.612 1.880 -14.388 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.042 3.681 -15.811 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.089 2.613 -17.200 1.00 0.00 H new ATOM 872 N GLU A 60 -4.396 2.470 -14.832 1.00 0.00 N ATOM 873 CA GLU A 60 -5.833 2.387 -14.603 1.00 0.00 C ATOM 874 C GLU A 60 -6.361 3.678 -13.982 1.00 0.00 C ATOM 875 O GLU A 60 -5.590 4.507 -13.499 1.00 0.00 O ATOM 876 CB GLU A 60 -6.160 1.201 -13.693 1.00 0.00 C ATOM 877 CG GLU A 60 -6.312 -0.114 -14.440 1.00 0.00 C ATOM 878 CD GLU A 60 -7.649 -0.234 -15.145 1.00 0.00 C ATOM 879 OE1 GLU A 60 -7.768 0.267 -16.282 1.00 0.00 O ATOM 880 OE2 GLU A 60 -8.577 -0.829 -14.558 1.00 0.00 O ATOM 0 H GLU A 60 -3.829 2.390 -13.988 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.320 2.241 -15.567 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.371 1.097 -12.948 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.083 1.412 -13.153 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.510 -0.206 -15.172 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.200 -0.941 -13.739 1.00 0.00 H new ATOM 887 N ASP A 61 -7.679 3.840 -14.001 1.00 0.00 N ATOM 888 CA ASP A 61 -8.311 5.029 -13.440 1.00 0.00 C ATOM 889 C ASP A 61 -9.071 4.689 -12.162 1.00 0.00 C ATOM 890 O ASP A 61 -10.063 3.961 -12.192 1.00 0.00 O ATOM 891 CB ASP A 61 -9.261 5.658 -14.461 1.00 0.00 C ATOM 892 CG ASP A 61 -8.697 5.632 -15.868 1.00 0.00 C ATOM 893 OD1 ASP A 61 -7.484 5.881 -16.026 1.00 0.00 O ATOM 894 OD2 ASP A 61 -9.470 5.363 -16.812 1.00 0.00 O ATOM 0 H ASP A 61 -8.331 3.164 -14.399 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.527 5.746 -13.195 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.212 5.126 -14.444 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.467 6.689 -14.174 1.00 0.00 H new ATOM 899 N TYR A 62 -8.598 5.220 -11.039 1.00 0.00 N ATOM 900 CA TYR A 62 -9.230 4.970 -9.750 1.00 0.00 C ATOM 901 C TYR A 62 -10.258 6.050 -9.428 1.00 0.00 C ATOM 902 O TYR A 62 -9.958 7.243 -9.485 1.00 0.00 O ATOM 903 CB TYR A 62 -8.175 4.908 -8.644 1.00 0.00 C ATOM 904 CG TYR A 62 -7.224 6.084 -8.648 1.00 0.00 C ATOM 905 CD1 TYR A 62 -6.200 6.171 -9.582 1.00 0.00 C ATOM 906 CD2 TYR A 62 -7.352 7.109 -7.718 1.00 0.00 C ATOM 907 CE1 TYR A 62 -5.328 7.243 -9.589 1.00 0.00 C ATOM 908 CE2 TYR A 62 -6.486 8.185 -7.719 1.00 0.00 C ATOM 909 CZ TYR A 62 -5.476 8.248 -8.656 1.00 0.00 C ATOM 910 OH TYR A 62 -4.611 9.318 -8.660 1.00 0.00 O ATOM 0 H TYR A 62 -7.779 5.826 -10.996 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.744 4.010 -9.807 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -8.676 4.860 -7.677 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.602 3.987 -8.752 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -6.083 5.387 -10.316 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.142 7.063 -6.983 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -4.535 7.294 -10.321 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.599 8.973 -6.989 1.00 0.00 H new ATOM 0 HH TYR A 62 -5.115 10.146 -8.806 1.00 0.00 H new ATOM 920 N ILE A 63 -11.470 5.623 -9.091 1.00 0.00 N ATOM 921 CA ILE A 63 -12.542 6.553 -8.758 1.00 0.00 C ATOM 922 C ILE A 63 -13.040 6.331 -7.334 1.00 0.00 C ATOM 923 O ILE A 63 -13.870 5.456 -7.084 1.00 0.00 O ATOM 924 CB ILE A 63 -13.727 6.418 -9.732 1.00 0.00 C ATOM 925 CG1 ILE A 63 -13.280 6.733 -11.161 1.00 0.00 C ATOM 926 CG2 ILE A 63 -14.865 7.336 -9.313 1.00 0.00 C ATOM 927 CD1 ILE A 63 -12.739 8.135 -11.330 1.00 0.00 C ATOM 0 H ILE A 63 -11.734 4.639 -9.041 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.126 7.557 -8.842 1.00 0.00 H new ATOM 0 HB ILE A 63 -14.086 5.389 -9.702 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -12.513 6.018 -11.459 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -14.125 6.594 -11.836 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.695 7.229 -10.011 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -15.198 7.068 -8.310 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -14.519 8.370 -9.317 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.442 8.288 -12.367 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.511 8.857 -11.064 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -11.874 8.272 -10.681 1.00 0.00 H new ATOM 939 N CYS A 64 -12.530 7.130 -6.403 1.00 0.00 N ATOM 940 CA CYS A 64 -12.923 7.023 -5.003 1.00 0.00 C ATOM 941 C CYS A 64 -14.423 6.770 -4.878 1.00 0.00 C ATOM 942 O CYS A 64 -15.207 7.076 -5.777 1.00 0.00 O ATOM 943 CB CYS A 64 -12.545 8.298 -4.247 1.00 0.00 C ATOM 944 SG CYS A 64 -13.869 9.547 -4.186 1.00 0.00 S ATOM 0 H CYS A 64 -11.843 7.859 -6.593 1.00 0.00 H new ATOM 0 HA CYS A 64 -12.392 6.178 -4.565 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -12.263 8.033 -3.228 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -11.666 8.739 -4.717 1.00 0.00 H new ATOM 949 N PRO A 65 -14.833 6.198 -3.736 1.00 0.00 N ATOM 950 CA PRO A 65 -16.241 5.892 -3.465 1.00 0.00 C ATOM 951 C PRO A 65 -17.076 7.149 -3.249 1.00 0.00 C ATOM 952 O PRO A 65 -18.117 7.330 -3.880 1.00 0.00 O ATOM 953 CB PRO A 65 -16.182 5.062 -2.180 1.00 0.00 C ATOM 954 CG PRO A 65 -14.918 5.484 -1.514 1.00 0.00 C ATOM 955 CD PRO A 65 -13.954 5.807 -2.622 1.00 0.00 C ATOM 0 HA PRO A 65 -16.714 5.377 -4.301 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -17.047 5.253 -1.545 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.177 3.994 -2.398 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.084 6.352 -0.876 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.529 4.690 -0.877 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.276 6.614 -2.343 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.336 4.947 -2.880 1.00 0.00 H new ATOM 963 N ASN A 66 -16.613 8.016 -2.354 1.00 0.00 N ATOM 964 CA ASN A 66 -17.319 9.257 -2.056 1.00 0.00 C ATOM 965 C ASN A 66 -17.852 9.900 -3.333 1.00 0.00 C ATOM 966 O ASN A 66 -18.883 10.573 -3.318 1.00 0.00 O ATOM 967 CB ASN A 66 -16.391 10.233 -1.329 1.00 0.00 C ATOM 968 CG ASN A 66 -15.668 9.585 -0.164 1.00 0.00 C ATOM 969 OD1 ASN A 66 -16.178 9.552 0.956 1.00 0.00 O ATOM 970 ND2 ASN A 66 -14.475 9.065 -0.424 1.00 0.00 N ATOM 0 H ASN A 66 -15.753 7.882 -1.823 1.00 0.00 H new ATOM 0 HA ASN A 66 -18.164 9.019 -1.410 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -15.659 10.627 -2.034 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -16.972 11.081 -0.966 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -13.942 8.615 0.320 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -14.091 9.115 -1.368 1.00 0.00 H new ATOM 977 N CYS A 67 -17.143 9.687 -4.436 1.00 0.00 N ATOM 978 CA CYS A 67 -17.544 10.245 -5.722 1.00 0.00 C ATOM 979 C CYS A 67 -18.734 9.483 -6.299 1.00 0.00 C ATOM 980 O CYS A 67 -19.828 10.030 -6.438 1.00 0.00 O ATOM 981 CB CYS A 67 -16.373 10.205 -6.706 1.00 0.00 C ATOM 982 SG CYS A 67 -15.312 11.684 -6.660 1.00 0.00 S ATOM 0 H CYS A 67 -16.288 9.132 -4.465 1.00 0.00 H new ATOM 0 HA CYS A 67 -17.842 11.281 -5.563 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -15.763 9.327 -6.493 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -16.765 10.084 -7.716 1.00 0.00 H new ATOM 987 N THR A 68 -18.512 8.215 -6.632 1.00 0.00 N ATOM 988 CA THR A 68 -19.564 7.378 -7.194 1.00 0.00 C ATOM 989 C THR A 68 -20.782 7.336 -6.278 1.00 0.00 C ATOM 990 O THR A 68 -21.911 7.552 -6.720 1.00 0.00 O ATOM 991 CB THR A 68 -19.068 5.939 -7.436 1.00 0.00 C ATOM 992 OG1 THR A 68 -17.792 5.964 -8.086 1.00 0.00 O ATOM 993 CG2 THR A 68 -20.061 5.161 -8.285 1.00 0.00 C ATOM 0 H THR A 68 -17.613 7.746 -6.522 1.00 0.00 H new ATOM 0 HA THR A 68 -19.846 7.823 -8.148 1.00 0.00 H new ATOM 0 HB THR A 68 -18.973 5.443 -6.470 1.00 0.00 H new ATOM 0 HG1 THR A 68 -17.483 5.046 -8.235 1.00 0.00 H new ATOM 0 HG21 THR A 68 -19.690 4.148 -8.443 1.00 0.00 H new ATOM 0 HG22 THR A 68 -21.023 5.119 -7.774 1.00 0.00 H new ATOM 0 HG23 THR A 68 -20.183 5.657 -9.248 1.00 0.00 H new ATOM 1001 N ILE A 69 -20.546 7.058 -5.000 1.00 0.00 N ATOM 1002 CA ILE A 69 -21.624 6.990 -4.022 1.00 0.00 C ATOM 1003 C ILE A 69 -22.613 8.134 -4.214 1.00 0.00 C ATOM 1004 O ILE A 69 -23.826 7.946 -4.104 1.00 0.00 O ATOM 1005 CB ILE A 69 -21.081 7.032 -2.581 1.00 0.00 C ATOM 1006 CG1 ILE A 69 -20.465 5.683 -2.205 1.00 0.00 C ATOM 1007 CG2 ILE A 69 -22.189 7.405 -1.608 1.00 0.00 C ATOM 1008 CD1 ILE A 69 -19.691 5.713 -0.906 1.00 0.00 C ATOM 0 H ILE A 69 -19.618 6.876 -4.618 1.00 0.00 H new ATOM 0 HA ILE A 69 -22.135 6.040 -4.181 1.00 0.00 H new ATOM 0 HB ILE A 69 -20.303 7.793 -2.524 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -21.258 4.939 -2.129 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.801 5.360 -3.007 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -21.790 7.430 -0.594 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -22.585 8.387 -1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -22.987 6.665 -1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -19.283 4.723 -0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -18.876 6.432 -0.985 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -20.356 6.005 -0.093 1.00 0.00 H new ATOM 1020 N LEU A 70 -22.089 9.320 -4.503 1.00 0.00 N ATOM 1021 CA LEU A 70 -22.926 10.496 -4.713 1.00 0.00 C ATOM 1022 C LEU A 70 -23.457 10.539 -6.142 1.00 0.00 C ATOM 1023 O LEU A 70 -24.655 10.711 -6.365 1.00 0.00 O ATOM 1024 CB LEU A 70 -22.134 11.770 -4.412 1.00 0.00 C ATOM 1025 CG LEU A 70 -21.611 11.914 -2.983 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -20.573 13.022 -2.903 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -22.757 12.183 -2.019 1.00 0.00 C ATOM 0 H LEU A 70 -21.088 9.493 -4.597 1.00 0.00 H new ATOM 0 HA LEU A 70 -23.775 10.434 -4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -21.285 11.816 -5.094 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -22.768 12.629 -4.634 1.00 0.00 H new ATOM 0 HG LEU A 70 -21.134 10.977 -2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -20.212 13.109 -1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -19.738 12.786 -3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -21.024 13.966 -3.211 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -22.365 12.283 -1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -23.264 13.105 -2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -23.464 11.354 -2.054 1.00 0.00 H new ATOM 1039 N SER A 71 -22.557 10.378 -7.107 1.00 0.00 N ATOM 1040 CA SER A 71 -22.934 10.400 -8.515 1.00 0.00 C ATOM 1041 C SER A 71 -22.752 9.023 -9.148 1.00 0.00 C ATOM 1042 O SER A 71 -21.754 8.763 -9.818 1.00 0.00 O ATOM 1043 CB SER A 71 -22.101 11.436 -9.272 1.00 0.00 C ATOM 1044 OG SER A 71 -22.784 11.895 -10.426 1.00 0.00 O ATOM 0 H SER A 71 -21.562 10.231 -6.939 1.00 0.00 H new ATOM 0 HA SER A 71 -23.987 10.674 -8.579 1.00 0.00 H new ATOM 0 HB2 SER A 71 -21.880 12.279 -8.617 1.00 0.00 H new ATOM 0 HB3 SER A 71 -21.146 10.998 -9.561 1.00 0.00 H new ATOM 0 HG SER A 71 -22.231 12.557 -10.891 1.00 0.00 H new ATOM 1050 N GLY A 72 -23.725 8.144 -8.928 1.00 0.00 N ATOM 1051 CA GLY A 72 -23.654 6.805 -9.483 1.00 0.00 C ATOM 1052 C GLY A 72 -24.265 6.717 -10.867 1.00 0.00 C ATOM 1053 O GLY A 72 -24.502 7.728 -11.529 1.00 0.00 O ATOM 0 H GLY A 72 -24.561 8.335 -8.376 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -22.612 6.489 -9.529 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -24.168 6.112 -8.818 1.00 0.00 H new ATOM 1057 N PRO A 73 -24.528 5.484 -11.325 1.00 0.00 N ATOM 1058 CA PRO A 73 -25.118 5.239 -12.645 1.00 0.00 C ATOM 1059 C PRO A 73 -26.574 5.685 -12.721 1.00 0.00 C ATOM 1060 O PRO A 73 -27.451 5.081 -12.104 1.00 0.00 O ATOM 1061 CB PRO A 73 -25.014 3.720 -12.803 1.00 0.00 C ATOM 1062 CG PRO A 73 -24.986 3.195 -11.409 1.00 0.00 C ATOM 1063 CD PRO A 73 -24.272 4.235 -10.589 1.00 0.00 C ATOM 0 HA PRO A 73 -24.609 5.799 -13.430 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -25.862 3.321 -13.359 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -24.114 3.440 -13.350 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -25.996 3.028 -11.034 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -24.467 2.238 -11.363 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -24.661 4.281 -9.572 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -23.205 4.024 -10.513 1.00 0.00 H new ATOM 1071 N SER A 74 -26.824 6.745 -13.483 1.00 0.00 N ATOM 1072 CA SER A 74 -28.175 7.273 -13.637 1.00 0.00 C ATOM 1073 C SER A 74 -28.498 7.516 -15.108 1.00 0.00 C ATOM 1074 O SER A 74 -27.613 7.482 -15.964 1.00 0.00 O ATOM 1075 CB SER A 74 -28.329 8.575 -12.848 1.00 0.00 C ATOM 1076 OG SER A 74 -28.020 8.381 -11.479 1.00 0.00 O ATOM 0 H SER A 74 -26.110 7.255 -14.003 1.00 0.00 H new ATOM 0 HA SER A 74 -28.875 6.534 -13.246 1.00 0.00 H new ATOM 0 HB2 SER A 74 -27.673 9.338 -13.268 1.00 0.00 H new ATOM 0 HB3 SER A 74 -29.350 8.944 -12.945 1.00 0.00 H new ATOM 0 HG SER A 74 -28.124 9.228 -10.997 1.00 0.00 H new ATOM 1082 N SER A 75 -29.773 7.761 -15.395 1.00 0.00 N ATOM 1083 CA SER A 75 -30.215 8.005 -16.763 1.00 0.00 C ATOM 1084 C SER A 75 -30.132 9.490 -17.103 1.00 0.00 C ATOM 1085 O SER A 75 -30.156 10.344 -16.218 1.00 0.00 O ATOM 1086 CB SER A 75 -31.649 7.506 -16.954 1.00 0.00 C ATOM 1087 OG SER A 75 -31.726 6.101 -16.784 1.00 0.00 O ATOM 0 H SER A 75 -30.517 7.796 -14.699 1.00 0.00 H new ATOM 0 HA SER A 75 -29.555 7.458 -17.436 1.00 0.00 H new ATOM 0 HB2 SER A 75 -32.307 7.999 -16.239 1.00 0.00 H new ATOM 0 HB3 SER A 75 -32.002 7.775 -17.950 1.00 0.00 H new ATOM 0 HG SER A 75 -32.652 5.807 -16.909 1.00 0.00 H new ATOM 1093 N GLY A 76 -30.035 9.790 -18.395 1.00 0.00 N ATOM 1094 CA GLY A 76 -29.950 11.172 -18.831 1.00 0.00 C ATOM 1095 C GLY A 76 -28.576 11.528 -19.363 1.00 0.00 C ATOM 1096 O GLY A 76 -28.212 12.703 -19.343 1.00 0.00 O ATOM 0 H GLY A 76 -30.014 9.101 -19.147 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -30.694 11.352 -19.607 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -30.195 11.829 -17.996 1.00 0.00 H new TER 1100 GLY A 76 HETATM 1101 ZN ZN A 201 -9.226 9.130 6.066 1.00 0.00 ZN HETATM 1102 ZN ZN A 401 -13.236 11.144 -5.758 1.00 0.00 ZN