USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 993 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 65 THR OG1 : rot 180:sc= 0.255 USER MOD Set 1.2: A 67 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 50 MET CE :methyl 160:sc= -1.53 (180deg=-1.91) USER MOD Set 2.2: A 62 HIS : no HD1:sc= -9.75! C(o=-11!,f=-20!) USER MOD Single : A 8 LYS NZ :NH3+ -163:sc= 1.25 (180deg=1.13) USER MOD Single : A 11 TYR OH : rot 168:sc= -0.458 USER MOD Single : A 12 SER OG : rot 39:sc= 0.0347 USER MOD Single : A 13 GLN : amide:sc= 0.648 K(o=0.65,f=-7!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -5.02! C(o=-5!,f=-4.5!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= 0.627 (180deg=0.543) USER MOD Single : A 40 ASN : amide:sc= 0.717 K(o=0.72,f=-2.2) USER MOD Single : A 43 ASN : amide:sc= -0.192 X(o=-0.19,f=-0.1) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -153:sc= -2.31! (180deg=-3.6!) USER MOD Single : A 54 GLN : amide:sc= -0.607 K(o=-0.61,f=-1.4) USER MOD Single : A 57 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0733) USER MOD Single : A 59 CYS SG : rot 26:sc= -0.56 USER MOD Single : A 61 ASN : amide:sc= -2.36! C(o=-2.4!,f=-4.4!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 68 MET CE :methyl 155:sc= -3.44! (180deg=-3.84!) USER MOD Single : A 69 ASN : amide:sc=-0.00759 X(o=-0.0076,f=-0.11) USER MOD Single : A 71 LYS NZ :NH3+ 150:sc= 1.1 (180deg=0.478) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 90:sc= -0.0349 USER MOD Single : A 81 MET CE :methyl -175:sc= -0.806 (180deg=-0.887) USER MOD Single : A 85 SER OG : rot 180:sc= 0.109 USER MOD Single : A 88 SER OG : rot -140:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 146:sc= 0.999 (180deg=0.478) USER MOD Single : A 96 GLN : amide:sc= -0.547 K(o=-0.55,f=-1.8) USER MOD Single : A 100 LYS NZ :NH3+ 165:sc= 1.83 (180deg=1.14) USER MOD Single : A 102 LYS NZ :NH3+ -162:sc= -0.0393 (180deg=-0.385) USER MOD Single : A 103 THR OG1 : rot -170:sc= -0.184 USER MOD Single : A 111 LYS NZ :NH3+ 151:sc= 1.19 (180deg=0.96) USER MOD Single : A 112 GLN : amide:sc= -0.186 K(o=-0.19,f=-3.6!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 CYS SG : rot 84:sc= -0.129 USER MOD Single : A 118 GLN : amide:sc= -5.81! C(o=-5.8!,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 43 N GLU A 5 -10.336 -6.108 -10.533 1.00 0.00 N ATOM 44 CA GLU A 5 -10.143 -5.078 -11.404 1.00 0.00 C ATOM 45 C GLU A 5 -10.880 -3.922 -10.852 1.00 0.00 C ATOM 46 O GLU A 5 -11.301 -3.956 -9.688 1.00 0.00 O ATOM 47 CB GLU A 5 -10.566 -5.465 -12.833 1.00 0.00 C ATOM 48 CG GLU A 5 -12.044 -5.528 -13.024 1.00 0.00 C ATOM 49 CD GLU A 5 -12.726 -6.677 -12.325 1.00 0.00 C ATOM 50 OE1 GLU A 5 -13.109 -6.521 -11.143 1.00 0.00 O ATOM 51 OE2 GLU A 5 -12.896 -7.744 -12.933 1.00 0.00 O ATOM 0 HA GLU A 5 -9.089 -4.819 -11.501 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -10.148 -4.743 -13.534 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.135 -6.435 -13.080 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -12.482 -4.595 -12.670 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.255 -5.594 -14.091 1.00 0.00 H new ATOM 58 N ASP A 6 -11.022 -2.935 -11.664 1.00 0.00 N ATOM 59 CA ASP A 6 -11.607 -1.610 -11.305 1.00 0.00 C ATOM 60 C ASP A 6 -10.615 -0.807 -10.484 1.00 0.00 C ATOM 61 O ASP A 6 -10.871 0.290 -10.024 1.00 0.00 O ATOM 62 CB ASP A 6 -12.938 -1.814 -10.585 1.00 0.00 C ATOM 63 CG ASP A 6 -13.585 -0.564 -9.985 1.00 0.00 C ATOM 64 OD1 ASP A 6 -14.297 0.163 -10.729 1.00 0.00 O ATOM 65 OD2 ASP A 6 -13.439 -0.326 -8.749 1.00 0.00 O ATOM 0 H ASP A 6 -10.736 -2.989 -12.642 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.811 -1.034 -12.208 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -13.642 -2.259 -11.288 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.786 -2.538 -9.784 1.00 0.00 H new ATOM 70 N GLU A 7 -9.468 -1.334 -10.383 1.00 0.00 N ATOM 71 CA GLU A 7 -8.448 -0.740 -9.691 1.00 0.00 C ATOM 72 C GLU A 7 -7.384 -0.441 -10.651 1.00 0.00 C ATOM 73 O GLU A 7 -7.099 -1.213 -11.581 1.00 0.00 O ATOM 74 CB GLU A 7 -8.076 -1.588 -8.473 1.00 0.00 C ATOM 75 CG GLU A 7 -7.764 -3.039 -8.801 1.00 0.00 C ATOM 76 CD GLU A 7 -7.682 -3.895 -7.571 1.00 0.00 C ATOM 77 OE1 GLU A 7 -6.605 -4.026 -6.991 1.00 0.00 O ATOM 78 OE2 GLU A 7 -8.711 -4.451 -7.156 1.00 0.00 O ATOM 0 H GLU A 7 -9.219 -2.229 -10.804 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.722 0.216 -9.245 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.210 -1.143 -7.984 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.897 -1.557 -7.757 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.534 -3.433 -9.465 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.819 -3.092 -9.342 1.00 0.00 H new ATOM 85 N LYS A 8 -6.840 0.671 -10.447 1.00 0.00 N ATOM 86 CA LYS A 8 -6.015 1.289 -11.407 1.00 0.00 C ATOM 87 C LYS A 8 -4.580 1.376 -10.948 1.00 0.00 C ATOM 88 O LYS A 8 -4.325 1.418 -9.750 1.00 0.00 O ATOM 89 CB LYS A 8 -6.560 2.678 -11.669 1.00 0.00 C ATOM 90 CG LYS A 8 -6.453 3.592 -10.452 1.00 0.00 C ATOM 91 CD LYS A 8 -7.290 4.828 -10.579 1.00 0.00 C ATOM 92 CE LYS A 8 -7.036 5.559 -11.868 1.00 0.00 C ATOM 93 NZ LYS A 8 -7.832 6.779 -11.936 1.00 0.00 N ATOM 0 H LYS A 8 -6.951 1.205 -9.585 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.021 0.689 -12.317 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.018 3.125 -12.503 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.605 2.603 -11.971 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.758 3.042 -9.562 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.411 3.878 -10.308 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -8.344 4.558 -10.519 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -7.083 5.492 -9.740 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.977 5.805 -11.949 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.279 4.913 -12.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.871 7.114 -12.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.796 6.584 -11.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.397 7.511 -11.338 1.00 0.00 H new ATOM 107 N VAL A 9 -3.663 1.455 -11.891 1.00 0.00 N ATOM 108 CA VAL A 9 -2.272 1.551 -11.594 1.00 0.00 C ATOM 109 C VAL A 9 -1.943 3.003 -11.361 1.00 0.00 C ATOM 110 O VAL A 9 -2.131 3.847 -12.233 1.00 0.00 O ATOM 111 CB VAL A 9 -1.389 0.997 -12.753 1.00 0.00 C ATOM 112 CG1 VAL A 9 0.093 1.091 -12.409 1.00 0.00 C ATOM 113 CG2 VAL A 9 -1.763 -0.441 -13.087 1.00 0.00 C ATOM 0 H VAL A 9 -3.877 1.453 -12.888 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.060 0.951 -10.709 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.577 1.615 -13.631 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.684 0.697 -13.236 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.361 2.133 -12.235 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.295 0.510 -11.509 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.131 -0.802 -13.899 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.618 -1.068 -12.208 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.808 -0.483 -13.394 1.00 0.00 H new ATOM 123 N LEU A 10 -1.500 3.277 -10.192 1.00 0.00 N ATOM 124 CA LEU A 10 -1.135 4.635 -9.801 1.00 0.00 C ATOM 125 C LEU A 10 0.343 4.922 -9.991 1.00 0.00 C ATOM 126 O LEU A 10 0.722 5.889 -10.658 1.00 0.00 O ATOM 127 CB LEU A 10 -1.532 4.919 -8.355 1.00 0.00 C ATOM 128 CG LEU A 10 -3.012 4.772 -8.010 1.00 0.00 C ATOM 129 CD1 LEU A 10 -3.247 5.147 -6.564 1.00 0.00 C ATOM 130 CD2 LEU A 10 -3.872 5.624 -8.922 1.00 0.00 C ATOM 0 H LEU A 10 -1.370 2.581 -9.458 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.690 5.299 -10.464 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.964 4.251 -7.708 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.225 5.936 -8.111 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.295 3.730 -8.158 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.306 5.039 -6.328 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.662 4.492 -5.919 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.943 6.181 -6.402 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.921 5.500 -8.654 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.591 6.672 -8.813 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.723 5.314 -9.956 1.00 0.00 H new ATOM 142 N TYR A 11 1.159 4.103 -9.397 1.00 0.00 N ATOM 143 CA TYR A 11 2.607 4.281 -9.407 1.00 0.00 C ATOM 144 C TYR A 11 3.267 2.923 -9.443 1.00 0.00 C ATOM 145 O TYR A 11 2.741 1.961 -8.870 1.00 0.00 O ATOM 146 CB TYR A 11 3.025 5.079 -8.158 1.00 0.00 C ATOM 147 CG TYR A 11 4.506 5.417 -8.015 1.00 0.00 C ATOM 148 CD1 TYR A 11 5.090 6.399 -8.800 1.00 0.00 C ATOM 149 CD2 TYR A 11 5.299 4.790 -7.061 1.00 0.00 C ATOM 150 CE1 TYR A 11 6.421 6.747 -8.646 1.00 0.00 C ATOM 151 CE2 TYR A 11 6.636 5.128 -6.904 1.00 0.00 C ATOM 152 CZ TYR A 11 7.190 6.112 -7.700 1.00 0.00 C ATOM 153 OH TYR A 11 8.521 6.477 -7.536 1.00 0.00 O ATOM 0 H TYR A 11 0.849 3.279 -8.882 1.00 0.00 H new ATOM 0 HA TYR A 11 2.922 4.839 -10.288 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.462 6.012 -8.148 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.720 4.514 -7.277 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.494 6.903 -9.547 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.867 4.026 -6.431 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.854 7.516 -9.268 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.240 4.625 -6.164 1.00 0.00 H new ATOM 0 HH TYR A 11 8.870 6.079 -6.711 1.00 0.00 H new ATOM 163 N SER A 12 4.342 2.835 -10.172 1.00 0.00 N ATOM 164 CA SER A 12 5.087 1.645 -10.346 1.00 0.00 C ATOM 165 C SER A 12 6.605 1.869 -10.083 1.00 0.00 C ATOM 166 O SER A 12 7.216 2.753 -10.689 1.00 0.00 O ATOM 167 CB SER A 12 4.824 1.204 -11.766 1.00 0.00 C ATOM 168 OG SER A 12 4.948 2.300 -12.680 1.00 0.00 O ATOM 0 H SER A 12 4.731 3.631 -10.678 1.00 0.00 H new ATOM 0 HA SER A 12 4.784 0.880 -9.631 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.526 0.417 -12.041 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.823 0.778 -11.838 1.00 0.00 H new ATOM 0 HG SER A 12 5.702 2.866 -12.412 1.00 0.00 H new ATOM 174 N GLN A 13 7.194 1.091 -9.172 1.00 0.00 N ATOM 175 CA GLN A 13 8.644 1.185 -8.881 1.00 0.00 C ATOM 176 C GLN A 13 9.254 -0.114 -8.473 1.00 0.00 C ATOM 177 O GLN A 13 8.614 -0.941 -7.872 1.00 0.00 O ATOM 178 CB GLN A 13 8.976 2.278 -7.874 1.00 0.00 C ATOM 179 CG GLN A 13 9.554 3.553 -8.461 1.00 0.00 C ATOM 180 CD GLN A 13 11.001 3.422 -8.906 1.00 0.00 C ATOM 181 OE1 GLN A 13 11.464 2.349 -9.329 1.00 0.00 O ATOM 182 NE2 GLN A 13 11.731 4.495 -8.792 1.00 0.00 N ATOM 0 H GLN A 13 6.700 0.389 -8.621 1.00 0.00 H new ATOM 0 HA GLN A 13 9.097 1.464 -9.832 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.069 2.530 -7.325 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.686 1.878 -7.150 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.947 3.857 -9.314 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.482 4.349 -7.719 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.317 5.359 -8.441 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.717 4.472 -9.054 1.00 0.00 H new ATOM 191 N ARG A 14 10.524 -0.260 -8.776 1.00 0.00 N ATOM 192 CA ARG A 14 11.222 -1.471 -8.483 1.00 0.00 C ATOM 193 C ARG A 14 11.602 -1.485 -7.025 1.00 0.00 C ATOM 194 O ARG A 14 12.315 -0.607 -6.532 1.00 0.00 O ATOM 195 CB ARG A 14 12.436 -1.663 -9.392 1.00 0.00 C ATOM 196 CG ARG A 14 13.062 -3.052 -9.285 1.00 0.00 C ATOM 197 CD ARG A 14 14.153 -3.250 -10.318 1.00 0.00 C ATOM 198 NE ARG A 14 13.648 -3.022 -11.680 1.00 0.00 N ATOM 199 CZ ARG A 14 14.377 -3.015 -12.801 1.00 0.00 C ATOM 200 NH1 ARG A 14 15.685 -3.211 -12.763 1.00 0.00 N ATOM 201 NH2 ARG A 14 13.784 -2.792 -13.956 1.00 0.00 N ATOM 0 H ARG A 14 11.090 0.457 -9.229 1.00 0.00 H new ATOM 0 HA ARG A 14 10.562 -2.315 -8.682 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.138 -1.486 -10.425 1.00 0.00 H new ATOM 0 HB3 ARG A 14 13.188 -0.914 -9.144 1.00 0.00 H new ATOM 0 HG2 ARG A 14 13.476 -3.190 -8.286 1.00 0.00 H new ATOM 0 HG3 ARG A 14 12.291 -3.811 -9.418 1.00 0.00 H new ATOM 0 HD2 ARG A 14 14.977 -2.567 -10.115 1.00 0.00 H new ATOM 0 HD3 ARG A 14 14.551 -4.262 -10.240 1.00 0.00 H new ATOM 0 HE ARG A 14 12.647 -2.853 -11.779 1.00 0.00 H new ATOM 0 HH11 ARG A 14 16.151 -3.370 -11.870 1.00 0.00 H new ATOM 0 HH12 ARG A 14 16.227 -3.203 -13.627 1.00 0.00 H new ATOM 0 HH21 ARG A 14 12.778 -2.627 -13.989 1.00 0.00 H new ATOM 0 HH22 ARG A 14 14.331 -2.785 -14.817 1.00 0.00 H new ATOM 215 N VAL A 15 11.123 -2.469 -6.379 1.00 0.00 N ATOM 216 CA VAL A 15 11.235 -2.652 -4.982 1.00 0.00 C ATOM 217 C VAL A 15 11.569 -4.126 -4.760 1.00 0.00 C ATOM 218 O VAL A 15 11.630 -4.904 -5.727 1.00 0.00 O ATOM 219 CB VAL A 15 9.837 -2.342 -4.333 1.00 0.00 C ATOM 220 CG1 VAL A 15 8.846 -3.493 -4.515 1.00 0.00 C ATOM 221 CG2 VAL A 15 9.946 -1.918 -2.882 1.00 0.00 C ATOM 0 H VAL A 15 10.607 -3.221 -6.836 1.00 0.00 H new ATOM 0 HA VAL A 15 11.996 -2.005 -4.546 1.00 0.00 H new ATOM 0 HB VAL A 15 9.437 -1.486 -4.877 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.895 -3.232 -4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.692 -3.676 -5.578 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.244 -4.393 -4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.951 -1.717 -2.486 1.00 0.00 H new ATOM 0 HG22 VAL A 15 10.412 -2.716 -2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.554 -1.016 -2.811 1.00 0.00 H new ATOM 231 N LYS A 16 11.822 -4.503 -3.557 1.00 0.00 N ATOM 232 CA LYS A 16 11.924 -5.890 -3.238 1.00 0.00 C ATOM 233 C LYS A 16 10.970 -6.174 -2.120 1.00 0.00 C ATOM 234 O LYS A 16 10.888 -5.371 -1.167 1.00 0.00 O ATOM 235 CB LYS A 16 13.358 -6.347 -2.943 1.00 0.00 C ATOM 236 CG LYS A 16 14.117 -5.604 -1.865 1.00 0.00 C ATOM 237 CD LYS A 16 15.476 -6.258 -1.673 1.00 0.00 C ATOM 238 CE LYS A 16 16.313 -5.565 -0.621 1.00 0.00 C ATOM 239 NZ LYS A 16 17.559 -6.315 -0.352 1.00 0.00 N ATOM 0 H LYS A 16 11.964 -3.869 -2.770 1.00 0.00 H new ATOM 0 HA LYS A 16 11.648 -6.481 -4.111 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.326 -7.401 -2.667 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.931 -6.277 -3.868 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.239 -4.558 -2.144 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.556 -5.621 -0.931 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.336 -7.302 -1.391 1.00 0.00 H new ATOM 0 HD3 LYS A 16 16.014 -6.253 -2.621 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.557 -4.556 -0.953 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.738 -5.468 0.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 18.114 -5.817 0.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 17.323 -7.270 -0.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.117 -6.386 -1.227 1.00 0.00 H new ATOM 253 N LEU A 17 10.225 -7.273 -2.216 1.00 0.00 N ATOM 254 CA LEU A 17 9.192 -7.501 -1.247 1.00 0.00 C ATOM 255 C LEU A 17 9.693 -8.558 -0.339 1.00 0.00 C ATOM 256 O LEU A 17 10.483 -9.376 -0.743 1.00 0.00 O ATOM 257 CB LEU A 17 7.837 -7.883 -1.937 1.00 0.00 C ATOM 258 CG LEU A 17 6.524 -7.734 -1.145 1.00 0.00 C ATOM 259 CD1 LEU A 17 6.331 -8.802 -0.118 1.00 0.00 C ATOM 260 CD2 LEU A 17 6.451 -6.356 -0.516 1.00 0.00 C ATOM 0 H LEU A 17 10.322 -7.990 -2.935 1.00 0.00 H new ATOM 0 HA LEU A 17 8.972 -6.597 -0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.746 -7.279 -2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.912 -8.923 -2.255 1.00 0.00 H new ATOM 0 HG LEU A 17 5.707 -7.852 -1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.388 -8.639 0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.312 -9.777 -0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.152 -8.771 0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.520 -6.260 0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.295 -6.220 0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.486 -5.597 -1.298 1.00 0.00 H new ATOM 272 N PHE A 18 9.286 -8.501 0.854 1.00 0.00 N ATOM 273 CA PHE A 18 9.716 -9.395 1.903 1.00 0.00 C ATOM 274 C PHE A 18 8.550 -10.029 2.627 1.00 0.00 C ATOM 275 O PHE A 18 7.524 -9.425 2.774 1.00 0.00 O ATOM 276 CB PHE A 18 10.523 -8.633 2.942 1.00 0.00 C ATOM 277 CG PHE A 18 11.876 -8.150 2.522 1.00 0.00 C ATOM 278 CD1 PHE A 18 12.971 -8.976 2.633 1.00 0.00 C ATOM 279 CD2 PHE A 18 12.057 -6.866 2.047 1.00 0.00 C ATOM 280 CE1 PHE A 18 14.222 -8.546 2.274 1.00 0.00 C ATOM 281 CE2 PHE A 18 13.309 -6.424 1.690 1.00 0.00 C ATOM 282 CZ PHE A 18 14.394 -7.270 1.804 1.00 0.00 C ATOM 0 H PHE A 18 8.610 -7.806 1.171 1.00 0.00 H new ATOM 0 HA PHE A 18 10.311 -10.170 1.421 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.938 -7.770 3.261 1.00 0.00 H new ATOM 0 HB3 PHE A 18 10.647 -9.275 3.814 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.843 -9.980 3.009 1.00 0.00 H new ATOM 0 HD2 PHE A 18 11.209 -6.204 1.955 1.00 0.00 H new ATOM 0 HE1 PHE A 18 15.069 -9.210 2.361 1.00 0.00 H new ATOM 0 HE2 PHE A 18 13.443 -5.418 1.321 1.00 0.00 H new ATOM 0 HZ PHE A 18 15.378 -6.926 1.523 1.00 0.00 H new ATOM 292 N ARG A 19 8.757 -11.231 3.087 1.00 0.00 N ATOM 293 CA ARG A 19 7.890 -11.945 3.908 1.00 0.00 C ATOM 294 C ARG A 19 8.522 -12.154 5.214 1.00 0.00 C ATOM 295 O ARG A 19 9.736 -12.268 5.337 1.00 0.00 O ATOM 296 CB ARG A 19 7.594 -13.296 3.365 1.00 0.00 C ATOM 297 CG ARG A 19 8.804 -14.040 2.817 1.00 0.00 C ATOM 298 CD ARG A 19 8.477 -15.420 2.291 1.00 0.00 C ATOM 299 NE ARG A 19 9.680 -16.038 1.725 1.00 0.00 N ATOM 300 CZ ARG A 19 10.488 -16.882 2.377 1.00 0.00 C ATOM 301 NH1 ARG A 19 10.191 -17.278 3.619 1.00 0.00 N ATOM 302 NH2 ARG A 19 11.595 -17.323 1.792 1.00 0.00 N ATOM 0 H ARG A 19 9.605 -11.753 2.867 1.00 0.00 H new ATOM 0 HA ARG A 19 6.970 -11.365 3.978 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.140 -13.898 4.152 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.854 -13.199 2.571 1.00 0.00 H new ATOM 0 HG2 ARG A 19 9.250 -13.451 2.016 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.553 -14.128 3.604 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.083 -16.041 3.095 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.700 -15.353 1.530 1.00 0.00 H new ATOM 0 HE ARG A 19 9.919 -15.807 0.761 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.345 -16.937 4.074 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.811 -17.922 4.111 1.00 0.00 H new ATOM 0 HH21 ARG A 19 11.828 -17.018 0.847 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.212 -17.966 2.288 1.00 0.00 H new ATOM 316 N PHE A 20 7.715 -12.189 6.138 1.00 0.00 N ATOM 317 CA PHE A 20 8.092 -12.369 7.473 1.00 0.00 C ATOM 318 C PHE A 20 7.871 -13.800 7.786 1.00 0.00 C ATOM 319 O PHE A 20 6.817 -14.374 7.490 1.00 0.00 O ATOM 320 CB PHE A 20 7.248 -11.553 8.439 1.00 0.00 C ATOM 321 CG PHE A 20 7.883 -11.374 9.796 1.00 0.00 C ATOM 322 CD1 PHE A 20 8.951 -10.504 9.966 1.00 0.00 C ATOM 323 CD2 PHE A 20 7.422 -12.083 10.898 1.00 0.00 C ATOM 324 CE1 PHE A 20 9.542 -10.342 11.206 1.00 0.00 C ATOM 325 CE2 PHE A 20 8.011 -11.926 12.138 1.00 0.00 C ATOM 326 CZ PHE A 20 9.071 -11.054 12.293 1.00 0.00 C ATOM 0 H PHE A 20 6.709 -12.090 6.005 1.00 0.00 H new ATOM 0 HA PHE A 20 9.128 -12.049 7.588 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.059 -10.572 8.003 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.280 -12.039 8.562 1.00 0.00 H new ATOM 0 HD1 PHE A 20 9.325 -9.947 9.120 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.593 -12.766 10.784 1.00 0.00 H new ATOM 0 HE1 PHE A 20 10.371 -9.660 11.325 1.00 0.00 H new ATOM 0 HE2 PHE A 20 7.643 -12.485 12.986 1.00 0.00 H new ATOM 0 HZ PHE A 20 9.531 -10.929 13.262 1.00 0.00 H new ATOM 336 N ASP A 21 8.845 -14.380 8.276 1.00 0.00 N ATOM 337 CA ASP A 21 8.727 -15.690 8.773 1.00 0.00 C ATOM 338 C ASP A 21 8.602 -15.620 10.217 1.00 0.00 C ATOM 339 O ASP A 21 9.415 -15.077 10.864 1.00 0.00 O ATOM 340 CB ASP A 21 9.859 -16.614 8.449 1.00 0.00 C ATOM 341 CG ASP A 21 9.284 -17.979 8.193 1.00 0.00 C ATOM 342 OD1 ASP A 21 8.831 -18.614 9.143 1.00 0.00 O ATOM 343 OD2 ASP A 21 9.245 -18.417 7.024 1.00 0.00 O ATOM 0 H ASP A 21 9.777 -13.973 8.357 1.00 0.00 H new ATOM 0 HA ASP A 21 7.851 -16.111 8.279 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.402 -16.259 7.573 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.571 -16.649 9.274 1.00 0.00 H new ATOM 348 N ALA A 22 7.567 -16.089 10.665 1.00 0.00 N ATOM 349 CA ALA A 22 7.263 -16.207 12.075 1.00 0.00 C ATOM 350 C ALA A 22 8.167 -17.257 12.688 1.00 0.00 C ATOM 351 O ALA A 22 8.667 -17.108 13.800 1.00 0.00 O ATOM 352 CB ALA A 22 5.810 -16.579 12.271 1.00 0.00 C ATOM 0 H ALA A 22 6.821 -16.441 10.065 1.00 0.00 H new ATOM 0 HA ALA A 22 7.435 -15.249 12.567 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.597 -16.664 13.337 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.175 -15.808 11.834 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.610 -17.533 11.784 1.00 0.00 H new ATOM 358 N GLU A 23 8.421 -18.294 11.909 1.00 0.00 N ATOM 359 CA GLU A 23 9.250 -19.389 12.319 1.00 0.00 C ATOM 360 C GLU A 23 10.701 -18.996 12.264 1.00 0.00 C ATOM 361 O GLU A 23 11.511 -19.450 13.072 1.00 0.00 O ATOM 362 CB GLU A 23 9.022 -20.573 11.416 1.00 0.00 C ATOM 363 CG GLU A 23 7.637 -21.135 11.506 1.00 0.00 C ATOM 364 CD GLU A 23 7.281 -21.601 12.892 1.00 0.00 C ATOM 365 OE1 GLU A 23 7.870 -22.596 13.364 1.00 0.00 O ATOM 366 OE2 GLU A 23 6.369 -21.024 13.517 1.00 0.00 O ATOM 0 H GLU A 23 8.048 -18.390 10.965 1.00 0.00 H new ATOM 0 HA GLU A 23 8.989 -19.655 13.343 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.219 -20.277 10.386 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.740 -21.354 11.666 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.922 -20.376 11.189 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.544 -21.971 10.812 1.00 0.00 H new ATOM 373 N VAL A 24 11.044 -18.115 11.324 1.00 0.00 N ATOM 374 CA VAL A 24 12.446 -17.696 11.219 1.00 0.00 C ATOM 375 C VAL A 24 12.638 -16.431 11.952 1.00 0.00 C ATOM 376 O VAL A 24 13.763 -15.994 12.220 1.00 0.00 O ATOM 377 CB VAL A 24 12.938 -17.485 9.763 1.00 0.00 C ATOM 378 CG1 VAL A 24 14.462 -17.412 9.664 1.00 0.00 C ATOM 379 CG2 VAL A 24 12.421 -18.547 8.916 1.00 0.00 C ATOM 0 H VAL A 24 10.405 -17.692 10.651 1.00 0.00 H new ATOM 0 HA VAL A 24 13.031 -18.511 11.645 1.00 0.00 H new ATOM 0 HB VAL A 24 12.557 -16.523 9.421 1.00 0.00 H new ATOM 0 HG11 VAL A 24 14.752 -17.264 8.624 1.00 0.00 H new ATOM 0 HG12 VAL A 24 14.826 -16.579 10.265 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.896 -18.342 10.033 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.767 -18.398 7.893 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.776 -19.510 9.282 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.331 -18.531 8.936 1.00 0.00 H new ATOM 389 N SER A 25 11.511 -15.883 12.340 1.00 0.00 N ATOM 390 CA SER A 25 11.402 -14.544 12.828 1.00 0.00 C ATOM 391 C SER A 25 12.059 -13.641 11.870 1.00 0.00 C ATOM 392 O SER A 25 12.626 -12.608 12.254 1.00 0.00 O ATOM 393 CB SER A 25 12.007 -14.463 14.160 1.00 0.00 C ATOM 394 OG SER A 25 11.165 -15.019 15.163 1.00 0.00 O ATOM 0 H SER A 25 10.620 -16.380 12.321 1.00 0.00 H new ATOM 0 HA SER A 25 10.358 -14.245 12.921 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.962 -14.988 14.157 1.00 0.00 H new ATOM 0 HB3 SER A 25 12.217 -13.421 14.400 1.00 0.00 H new ATOM 0 HG SER A 25 11.605 -14.947 16.036 1.00 0.00 H new ATOM 400 N GLN A 26 11.954 -13.953 10.586 1.00 0.00 N ATOM 401 CA GLN A 26 12.764 -13.150 9.759 1.00 0.00 C ATOM 402 C GLN A 26 12.065 -12.659 8.515 1.00 0.00 C ATOM 403 O GLN A 26 11.241 -13.346 7.959 1.00 0.00 O ATOM 404 CB GLN A 26 14.073 -13.863 9.407 1.00 0.00 C ATOM 405 CG GLN A 26 15.044 -13.048 8.571 1.00 0.00 C ATOM 406 CD GLN A 26 16.224 -13.853 8.103 1.00 0.00 C ATOM 407 OE1 GLN A 26 16.188 -14.454 7.039 1.00 0.00 O ATOM 408 NE2 GLN A 26 17.269 -13.871 8.871 1.00 0.00 N ATOM 0 H GLN A 26 11.379 -14.676 10.153 1.00 0.00 H new ATOM 0 HA GLN A 26 12.994 -12.260 10.345 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.570 -14.155 10.332 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.836 -14.781 8.869 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.520 -12.642 7.706 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.398 -12.199 9.156 1.00 0.00 H new ATOM 0 HE21 GLN A 26 17.263 -13.357 9.752 1.00 0.00 H new ATOM 0 HE22 GLN A 26 18.097 -14.399 8.594 1.00 0.00 H new ATOM 417 N TRP A 27 12.421 -11.476 8.084 1.00 0.00 N ATOM 418 CA TRP A 27 11.976 -10.935 6.897 1.00 0.00 C ATOM 419 C TRP A 27 12.930 -11.346 5.768 1.00 0.00 C ATOM 420 O TRP A 27 14.133 -11.045 5.800 1.00 0.00 O ATOM 421 CB TRP A 27 11.867 -9.418 7.056 1.00 0.00 C ATOM 422 CG TRP A 27 13.019 -8.743 7.768 1.00 0.00 C ATOM 423 CD1 TRP A 27 13.193 -8.629 9.118 1.00 0.00 C ATOM 424 CD2 TRP A 27 14.135 -8.067 7.166 1.00 0.00 C ATOM 425 NE1 TRP A 27 14.345 -7.945 9.389 1.00 0.00 N ATOM 426 CE2 TRP A 27 14.945 -7.590 8.211 1.00 0.00 C ATOM 427 CE3 TRP A 27 14.532 -7.827 5.845 1.00 0.00 C ATOM 428 CZ2 TRP A 27 16.127 -6.888 7.980 1.00 0.00 C ATOM 429 CZ3 TRP A 27 15.705 -7.131 5.619 1.00 0.00 C ATOM 430 CH2 TRP A 27 16.490 -6.670 6.683 1.00 0.00 C ATOM 0 H TRP A 27 13.057 -10.865 8.597 1.00 0.00 H new ATOM 0 HA TRP A 27 10.986 -11.311 6.637 1.00 0.00 H new ATOM 0 HB2 TRP A 27 11.768 -8.975 6.065 1.00 0.00 H new ATOM 0 HB3 TRP A 27 10.949 -9.194 7.599 1.00 0.00 H new ATOM 0 HD1 TRP A 27 12.518 -9.022 9.864 1.00 0.00 H new ATOM 0 HE1 TRP A 27 14.701 -7.733 10.321 1.00 0.00 H new ATOM 0 HE3 TRP A 27 13.933 -8.179 5.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 16.734 -6.530 8.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 16.021 -6.940 4.604 1.00 0.00 H new ATOM 0 HH2 TRP A 27 17.402 -6.131 6.473 1.00 0.00 H new ATOM 441 N LYS A 28 12.406 -12.084 4.832 1.00 0.00 N ATOM 442 CA LYS A 28 13.167 -12.560 3.684 1.00 0.00 C ATOM 443 C LYS A 28 12.368 -12.245 2.446 1.00 0.00 C ATOM 444 O LYS A 28 11.173 -12.100 2.537 1.00 0.00 O ATOM 445 CB LYS A 28 13.500 -14.061 3.833 1.00 0.00 C ATOM 446 CG LYS A 28 14.440 -14.679 2.776 1.00 0.00 C ATOM 447 CD LYS A 28 15.940 -14.289 2.918 1.00 0.00 C ATOM 448 CE LYS A 28 16.219 -12.804 2.703 1.00 0.00 C ATOM 449 NZ LYS A 28 17.652 -12.520 2.586 1.00 0.00 N ATOM 0 H LYS A 28 11.430 -12.382 4.833 1.00 0.00 H new ATOM 0 HA LYS A 28 14.132 -12.057 3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.948 -14.213 4.815 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.563 -14.619 3.821 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.356 -15.765 2.828 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.095 -14.380 1.786 1.00 0.00 H new ATOM 0 HD2 LYS A 28 16.286 -14.573 3.912 1.00 0.00 H new ATOM 0 HD3 LYS A 28 16.524 -14.865 2.201 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.709 -12.467 1.800 1.00 0.00 H new ATOM 0 HE3 LYS A 28 15.804 -12.234 3.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.793 -11.500 2.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 18.137 -12.816 3.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 18.044 -13.042 1.777 1.00 0.00 H new ATOM 463 N GLU A 29 13.007 -12.137 1.299 1.00 0.00 N ATOM 464 CA GLU A 29 12.377 -11.611 0.186 1.00 0.00 C ATOM 465 C GLU A 29 11.372 -12.546 -0.412 1.00 0.00 C ATOM 466 O GLU A 29 11.544 -13.765 -0.449 1.00 0.00 O ATOM 467 CB GLU A 29 13.343 -11.025 -0.885 1.00 0.00 C ATOM 468 CG GLU A 29 14.246 -12.017 -1.617 1.00 0.00 C ATOM 469 CD GLU A 29 15.248 -12.684 -0.726 1.00 0.00 C ATOM 470 OE1 GLU A 29 16.274 -12.054 -0.394 1.00 0.00 O ATOM 471 OE2 GLU A 29 15.021 -13.845 -0.333 1.00 0.00 O ATOM 0 H GLU A 29 13.975 -12.421 1.149 1.00 0.00 H new ATOM 0 HA GLU A 29 11.825 -10.754 0.571 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.746 -10.497 -1.628 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.977 -10.283 -0.400 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.627 -12.780 -2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.773 -11.495 -2.416 1.00 0.00 H new ATOM 478 N ARG A 30 10.336 -11.960 -0.842 1.00 0.00 N ATOM 479 CA ARG A 30 9.268 -12.655 -1.516 1.00 0.00 C ATOM 480 C ARG A 30 9.477 -12.530 -2.990 1.00 0.00 C ATOM 481 O ARG A 30 9.130 -13.408 -3.765 1.00 0.00 O ATOM 482 CB ARG A 30 7.858 -12.131 -1.193 1.00 0.00 C ATOM 483 CG ARG A 30 7.321 -12.578 0.139 1.00 0.00 C ATOM 484 CD ARG A 30 5.817 -12.329 0.289 1.00 0.00 C ATOM 485 NE ARG A 30 5.032 -13.041 -0.720 1.00 0.00 N ATOM 486 CZ ARG A 30 3.699 -13.095 -0.764 1.00 0.00 C ATOM 487 NH1 ARG A 30 2.965 -12.618 0.238 1.00 0.00 N ATOM 488 NH2 ARG A 30 3.089 -13.691 -1.778 1.00 0.00 N ATOM 0 H ARG A 30 10.179 -10.957 -0.745 1.00 0.00 H new ATOM 0 HA ARG A 30 9.309 -13.686 -1.164 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.874 -11.041 -1.218 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.174 -12.458 -1.976 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.523 -13.641 0.268 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.852 -12.054 0.934 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.497 -12.642 1.283 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.619 -11.260 0.212 1.00 0.00 H new ATOM 0 HE ARG A 30 5.545 -13.536 -1.449 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.420 -12.205 1.052 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.947 -12.665 0.192 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.638 -14.110 -2.528 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.070 -13.730 -1.808 1.00 0.00 H new ATOM 502 N GLY A 31 10.052 -11.413 -3.374 1.00 0.00 N ATOM 503 CA GLY A 31 10.292 -11.136 -4.720 1.00 0.00 C ATOM 504 C GLY A 31 11.051 -9.855 -4.859 1.00 0.00 C ATOM 505 O GLY A 31 11.366 -9.198 -3.870 1.00 0.00 O ATOM 0 H GLY A 31 10.359 -10.682 -2.733 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.857 -11.952 -5.171 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.347 -11.067 -5.258 1.00 0.00 H new ATOM 509 N LEU A 32 11.272 -9.510 -6.063 1.00 0.00 N ATOM 510 CA LEU A 32 12.036 -8.362 -6.512 1.00 0.00 C ATOM 511 C LEU A 32 11.298 -7.862 -7.745 1.00 0.00 C ATOM 512 O LEU A 32 10.858 -8.690 -8.548 1.00 0.00 O ATOM 513 CB LEU A 32 13.477 -8.767 -7.003 1.00 0.00 C ATOM 514 CG LEU A 32 14.447 -9.576 -6.086 1.00 0.00 C ATOM 515 CD1 LEU A 32 14.651 -8.938 -4.736 1.00 0.00 C ATOM 516 CD2 LEU A 32 14.061 -11.050 -5.966 1.00 0.00 C ATOM 0 H LEU A 32 10.904 -10.052 -6.845 1.00 0.00 H new ATOM 0 HA LEU A 32 12.133 -7.642 -5.700 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.350 -9.344 -7.919 1.00 0.00 H new ATOM 0 HB3 LEU A 32 13.991 -7.845 -7.275 1.00 0.00 H new ATOM 0 HG LEU A 32 15.412 -9.546 -6.591 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.335 -9.547 -4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.072 -7.941 -4.865 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.694 -8.864 -4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 32 14.772 -11.561 -5.316 1.00 0.00 H new ATOM 0 HD22 LEU A 32 13.060 -11.131 -5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.076 -11.512 -6.953 1.00 0.00 H new ATOM 528 N GLY A 33 11.112 -6.579 -7.893 1.00 0.00 N ATOM 529 CA GLY A 33 10.488 -6.104 -9.102 1.00 0.00 C ATOM 530 C GLY A 33 9.688 -4.846 -8.912 1.00 0.00 C ATOM 531 O GLY A 33 9.804 -4.186 -7.906 1.00 0.00 O ATOM 0 H GLY A 33 11.373 -5.861 -7.217 1.00 0.00 H new ATOM 0 HA2 GLY A 33 11.258 -5.925 -9.852 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.835 -6.884 -9.495 1.00 0.00 H new ATOM 535 N ASN A 34 8.858 -4.555 -9.866 1.00 0.00 N ATOM 536 CA ASN A 34 8.059 -3.360 -9.906 1.00 0.00 C ATOM 537 C ASN A 34 6.826 -3.536 -9.157 1.00 0.00 C ATOM 538 O ASN A 34 5.977 -4.415 -9.437 1.00 0.00 O ATOM 539 CB ASN A 34 7.724 -3.010 -11.315 1.00 0.00 C ATOM 540 CG ASN A 34 6.975 -1.710 -11.465 1.00 0.00 C ATOM 541 OD1 ASN A 34 7.573 -0.654 -11.603 1.00 0.00 O ATOM 542 ND2 ASN A 34 5.668 -1.780 -11.471 1.00 0.00 N ATOM 0 H ASN A 34 8.710 -5.164 -10.671 1.00 0.00 H new ATOM 0 HA ASN A 34 8.640 -2.556 -9.455 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.646 -2.954 -11.893 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.126 -3.813 -11.745 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.112 -0.933 -11.594 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.205 -2.681 -11.353 1.00 0.00 H new ATOM 549 N LEU A 35 6.746 -2.732 -8.204 1.00 0.00 N ATOM 550 CA LEU A 35 5.635 -2.612 -7.410 1.00 0.00 C ATOM 551 C LEU A 35 4.724 -1.629 -8.036 1.00 0.00 C ATOM 552 O LEU A 35 5.109 -0.495 -8.288 1.00 0.00 O ATOM 553 CB LEU A 35 6.007 -2.267 -5.939 1.00 0.00 C ATOM 554 CG LEU A 35 4.886 -2.016 -4.875 1.00 0.00 C ATOM 555 CD1 LEU A 35 5.500 -2.014 -3.483 1.00 0.00 C ATOM 556 CD2 LEU A 35 4.188 -0.672 -5.075 1.00 0.00 C ATOM 0 H LEU A 35 7.504 -2.101 -7.943 1.00 0.00 H new ATOM 0 HA LEU A 35 5.116 -3.568 -7.342 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.629 -3.080 -5.565 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.631 -1.374 -5.966 1.00 0.00 H new ATOM 0 HG LEU A 35 4.153 -2.814 -4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.720 -1.839 -2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.973 -2.978 -3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.248 -1.224 -3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.419 -0.544 -4.313 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.918 0.133 -4.992 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.728 -0.644 -6.063 1.00 0.00 H new ATOM 568 N LYS A 36 3.562 -2.061 -8.336 1.00 0.00 N ATOM 569 CA LYS A 36 2.597 -1.207 -8.835 1.00 0.00 C ATOM 570 C LYS A 36 1.477 -1.102 -7.825 1.00 0.00 C ATOM 571 O LYS A 36 1.281 -1.997 -7.005 1.00 0.00 O ATOM 572 CB LYS A 36 2.107 -1.628 -10.227 1.00 0.00 C ATOM 573 CG LYS A 36 1.510 -3.024 -10.314 1.00 0.00 C ATOM 574 CD LYS A 36 1.018 -3.322 -11.725 1.00 0.00 C ATOM 575 CE LYS A 36 0.461 -4.730 -11.829 1.00 0.00 C ATOM 576 NZ LYS A 36 -0.075 -5.029 -13.169 1.00 0.00 N ATOM 0 H LYS A 36 3.264 -3.031 -8.236 1.00 0.00 H new ATOM 0 HA LYS A 36 3.032 -0.218 -8.982 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.359 -0.910 -10.563 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.944 -1.565 -10.922 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.258 -3.762 -10.023 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.683 -3.114 -9.610 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.248 -2.603 -12.003 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.839 -3.200 -12.432 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.246 -5.446 -11.588 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.328 -4.860 -11.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.443 -6.002 -13.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.843 -4.364 -13.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.682 -4.932 -13.875 1.00 0.00 H new ATOM 590 N ILE A 37 0.772 -0.042 -7.874 1.00 0.00 N ATOM 591 CA ILE A 37 -0.303 0.186 -6.963 1.00 0.00 C ATOM 592 C ILE A 37 -1.578 0.112 -7.698 1.00 0.00 C ATOM 593 O ILE A 37 -1.709 0.740 -8.748 1.00 0.00 O ATOM 594 CB ILE A 37 -0.191 1.616 -6.367 1.00 0.00 C ATOM 595 CG1 ILE A 37 1.029 1.727 -5.472 1.00 0.00 C ATOM 596 CG2 ILE A 37 -1.474 2.040 -5.616 1.00 0.00 C ATOM 597 CD1 ILE A 37 0.876 1.027 -4.142 1.00 0.00 C ATOM 0 H ILE A 37 0.917 0.707 -8.551 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.261 -0.561 -6.171 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.073 2.307 -7.201 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.890 1.310 -5.994 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.243 2.781 -5.295 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.347 3.047 -5.218 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.320 2.026 -6.304 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.662 1.347 -4.796 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.788 1.151 -3.559 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.036 1.459 -3.598 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.693 -0.035 -4.308 1.00 0.00 H new ATOM 609 N LEU A 38 -2.496 -0.663 -7.189 1.00 0.00 N ATOM 610 CA LEU A 38 -3.822 -0.615 -7.726 1.00 0.00 C ATOM 611 C LEU A 38 -4.718 0.006 -6.691 1.00 0.00 C ATOM 612 O LEU A 38 -4.672 -0.331 -5.517 1.00 0.00 O ATOM 613 CB LEU A 38 -4.354 -2.003 -8.136 1.00 0.00 C ATOM 614 CG LEU A 38 -3.623 -2.700 -9.282 1.00 0.00 C ATOM 615 CD1 LEU A 38 -4.074 -4.141 -9.396 1.00 0.00 C ATOM 616 CD2 LEU A 38 -3.887 -1.987 -10.587 1.00 0.00 C ATOM 0 H LEU A 38 -2.354 -1.320 -6.421 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.805 -0.019 -8.639 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.319 -2.654 -7.262 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.403 -1.898 -8.413 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.554 -2.674 -9.069 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.544 -4.624 -10.217 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.856 -4.665 -8.465 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.147 -4.172 -9.588 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.359 -2.496 -11.393 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.957 -1.992 -10.794 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.536 -0.958 -10.517 1.00 0.00 H new ATOM 628 N LYS A 39 -5.484 0.929 -7.130 1.00 0.00 N ATOM 629 CA LYS A 39 -6.463 1.600 -6.320 1.00 0.00 C ATOM 630 C LYS A 39 -7.781 1.453 -6.978 1.00 0.00 C ATOM 631 O LYS A 39 -7.898 1.777 -8.160 1.00 0.00 O ATOM 632 CB LYS A 39 -6.153 3.102 -6.234 1.00 0.00 C ATOM 633 CG LYS A 39 -7.282 3.926 -5.605 1.00 0.00 C ATOM 634 CD LYS A 39 -7.069 5.422 -5.764 1.00 0.00 C ATOM 635 CE LYS A 39 -8.244 6.211 -5.190 1.00 0.00 C ATOM 636 NZ LYS A 39 -9.523 5.901 -5.874 1.00 0.00 N ATOM 0 H LYS A 39 -5.458 1.260 -8.094 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.455 1.168 -5.319 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.243 3.244 -5.651 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.952 3.481 -7.236 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.230 3.647 -6.064 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.357 3.684 -4.545 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.149 5.717 -5.260 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.946 5.664 -6.820 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.341 5.990 -4.127 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.038 7.278 -5.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.257 6.566 -5.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.397 5.990 -6.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.813 4.929 -5.643 1.00 0.00 H new ATOM 650 N ASN A 40 -8.771 0.986 -6.263 1.00 0.00 N ATOM 651 CA ASN A 40 -10.107 0.941 -6.852 1.00 0.00 C ATOM 652 C ASN A 40 -10.606 2.327 -7.163 1.00 0.00 C ATOM 653 O ASN A 40 -10.514 3.260 -6.336 1.00 0.00 O ATOM 654 CB ASN A 40 -11.149 0.207 -6.002 1.00 0.00 C ATOM 655 CG ASN A 40 -11.093 -1.288 -6.149 1.00 0.00 C ATOM 656 OD1 ASN A 40 -10.430 -1.977 -5.393 1.00 0.00 O ATOM 657 ND2 ASN A 40 -11.812 -1.803 -7.110 1.00 0.00 N ATOM 0 H ASN A 40 -8.697 0.640 -5.306 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.989 0.364 -7.769 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -11.001 0.467 -4.954 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -12.144 0.555 -6.280 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -11.831 -2.814 -7.247 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -12.354 -1.195 -7.723 1.00 0.00 H new ATOM 664 N GLU A 41 -11.108 2.453 -8.367 1.00 0.00 N ATOM 665 CA GLU A 41 -11.613 3.621 -8.937 1.00 0.00 C ATOM 666 C GLU A 41 -12.806 4.128 -8.186 1.00 0.00 C ATOM 667 O GLU A 41 -13.022 5.338 -8.107 1.00 0.00 O ATOM 668 CB GLU A 41 -12.010 3.247 -10.325 1.00 0.00 C ATOM 669 CG GLU A 41 -10.948 3.430 -11.390 1.00 0.00 C ATOM 670 CD GLU A 41 -10.780 4.879 -11.819 1.00 0.00 C ATOM 671 OE1 GLU A 41 -10.216 5.702 -11.052 1.00 0.00 O ATOM 672 OE2 GLU A 41 -11.183 5.228 -12.954 1.00 0.00 O ATOM 0 H GLU A 41 -11.166 1.659 -9.005 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.869 4.418 -8.915 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -12.320 2.202 -10.324 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -12.882 3.838 -10.604 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -9.996 3.056 -11.014 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.206 2.827 -12.260 1.00 0.00 H new ATOM 679 N VAL A 42 -13.565 3.207 -7.609 1.00 0.00 N ATOM 680 CA VAL A 42 -14.751 3.575 -6.896 1.00 0.00 C ATOM 681 C VAL A 42 -14.346 4.323 -5.656 1.00 0.00 C ATOM 682 O VAL A 42 -14.824 5.430 -5.412 1.00 0.00 O ATOM 683 CB VAL A 42 -15.620 2.299 -6.564 1.00 0.00 C ATOM 684 CG1 VAL A 42 -15.339 1.594 -5.230 1.00 0.00 C ATOM 685 CG2 VAL A 42 -17.094 2.490 -6.837 1.00 0.00 C ATOM 0 H VAL A 42 -13.370 2.206 -7.628 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.376 4.224 -7.510 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.252 1.576 -7.292 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -16.002 0.735 -5.125 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.303 1.257 -5.208 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -15.512 2.288 -4.408 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.632 1.575 -6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -17.473 3.311 -6.229 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.242 2.721 -7.892 1.00 0.00 H new ATOM 695 N ASN A 43 -13.351 3.737 -4.979 1.00 0.00 N ATOM 696 CA ASN A 43 -12.784 4.219 -3.679 1.00 0.00 C ATOM 697 C ASN A 43 -12.177 3.058 -2.884 1.00 0.00 C ATOM 698 O ASN A 43 -11.360 3.274 -2.005 1.00 0.00 O ATOM 699 CB ASN A 43 -13.937 4.766 -2.815 1.00 0.00 C ATOM 700 CG ASN A 43 -13.568 5.168 -1.393 1.00 0.00 C ATOM 701 OD1 ASN A 43 -13.642 4.358 -0.462 1.00 0.00 O ATOM 702 ND2 ASN A 43 -13.210 6.402 -1.202 1.00 0.00 N ATOM 0 H ASN A 43 -12.894 2.890 -5.316 1.00 0.00 H new ATOM 0 HA ASN A 43 -12.026 4.971 -3.899 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -14.363 5.634 -3.319 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -14.720 4.009 -2.767 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.980 6.727 -0.263 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.159 7.046 -1.991 1.00 0.00 H new ATOM 709 N GLY A 44 -12.498 1.842 -3.296 1.00 0.00 N ATOM 710 CA GLY A 44 -12.400 0.683 -2.413 1.00 0.00 C ATOM 711 C GLY A 44 -11.040 0.276 -1.917 1.00 0.00 C ATOM 712 O GLY A 44 -10.487 0.863 -0.979 1.00 0.00 O ATOM 0 H GLY A 44 -12.829 1.628 -4.237 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.027 0.875 -1.543 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.832 -0.170 -2.936 1.00 0.00 H new ATOM 716 N LYS A 45 -10.525 -0.740 -2.520 1.00 0.00 N ATOM 717 CA LYS A 45 -9.326 -1.362 -2.072 1.00 0.00 C ATOM 718 C LYS A 45 -8.133 -0.726 -2.719 1.00 0.00 C ATOM 719 O LYS A 45 -8.155 -0.385 -3.906 1.00 0.00 O ATOM 720 CB LYS A 45 -9.401 -2.848 -2.397 1.00 0.00 C ATOM 721 CG LYS A 45 -10.648 -3.495 -1.823 1.00 0.00 C ATOM 722 CD LYS A 45 -10.879 -4.884 -2.366 1.00 0.00 C ATOM 723 CE LYS A 45 -12.199 -5.427 -1.861 1.00 0.00 C ATOM 724 NZ LYS A 45 -12.561 -6.696 -2.497 1.00 0.00 N ATOM 0 H LYS A 45 -10.931 -1.169 -3.351 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.219 -1.234 -0.995 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -9.388 -2.983 -3.478 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.518 -3.350 -2.002 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.562 -3.542 -0.737 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.513 -2.872 -2.048 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.879 -4.862 -3.456 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.065 -5.542 -2.061 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.142 -5.568 -0.782 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.985 -4.694 -2.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.471 -7.027 -2.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.643 -6.558 -3.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.826 -7.405 -2.300 1.00 0.00 H new ATOM 738 N LEU A 46 -7.127 -0.496 -1.933 1.00 0.00 N ATOM 739 CA LEU A 46 -5.940 0.028 -2.388 1.00 0.00 C ATOM 740 C LEU A 46 -4.912 -1.024 -2.114 1.00 0.00 C ATOM 741 O LEU A 46 -4.854 -1.574 -1.010 1.00 0.00 O ATOM 742 CB LEU A 46 -5.508 1.224 -1.593 1.00 0.00 C ATOM 743 CG LEU A 46 -6.556 2.175 -0.906 1.00 0.00 C ATOM 744 CD1 LEU A 46 -7.604 2.708 -1.872 1.00 0.00 C ATOM 745 CD2 LEU A 46 -7.189 1.556 0.344 1.00 0.00 C ATOM 0 H LEU A 46 -7.141 -0.684 -0.931 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.052 0.315 -3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.847 0.860 -0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.904 1.844 -2.256 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.984 3.040 -0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.296 3.357 -1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.114 3.275 -2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.153 1.874 -2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.903 2.257 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.704 0.634 0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.411 1.335 1.075 1.00 0.00 H new ATOM 757 N ARG A 47 -4.148 -1.299 -3.062 1.00 0.00 N ATOM 758 CA ARG A 47 -3.084 -2.332 -2.949 1.00 0.00 C ATOM 759 C ARG A 47 -1.773 -1.894 -3.536 1.00 0.00 C ATOM 760 O ARG A 47 -1.708 -1.034 -4.394 1.00 0.00 O ATOM 761 CB ARG A 47 -3.364 -3.601 -3.722 1.00 0.00 C ATOM 762 CG ARG A 47 -4.664 -3.710 -4.472 1.00 0.00 C ATOM 763 CD ARG A 47 -5.823 -4.086 -3.570 1.00 0.00 C ATOM 764 NE ARG A 47 -6.916 -4.564 -4.381 1.00 0.00 N ATOM 765 CZ ARG A 47 -7.716 -5.596 -4.118 1.00 0.00 C ATOM 766 NH1 ARG A 47 -7.635 -6.268 -2.962 1.00 0.00 N ATOM 767 NH2 ARG A 47 -8.584 -5.954 -5.021 1.00 0.00 N ATOM 0 H ARG A 47 -4.193 -0.844 -3.974 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.054 -2.494 -1.872 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.555 -3.738 -4.439 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.314 -4.434 -3.021 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.880 -2.759 -4.959 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.564 -4.456 -5.260 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.515 -4.856 -2.863 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.139 -3.223 -2.984 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.095 -4.058 -5.248 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.949 -5.993 -2.259 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.259 -7.055 -2.785 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.639 -5.447 -5.905 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.208 -6.741 -4.845 1.00 0.00 H new ATOM 781 N MET A 48 -0.766 -2.542 -3.063 1.00 0.00 N ATOM 782 CA MET A 48 0.553 -2.543 -3.568 1.00 0.00 C ATOM 783 C MET A 48 0.796 -3.971 -3.995 1.00 0.00 C ATOM 784 O MET A 48 0.656 -4.900 -3.190 1.00 0.00 O ATOM 785 CB MET A 48 1.577 -2.222 -2.459 1.00 0.00 C ATOM 786 CG MET A 48 1.272 -0.987 -1.659 1.00 0.00 C ATOM 787 SD MET A 48 2.659 -0.391 -0.698 1.00 0.00 S ATOM 788 CE MET A 48 2.028 1.216 -0.260 1.00 0.00 C ATOM 0 H MET A 48 -0.859 -3.136 -2.239 1.00 0.00 H new ATOM 0 HA MET A 48 0.663 -1.805 -4.363 1.00 0.00 H new ATOM 0 HB2 MET A 48 1.635 -3.073 -1.780 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.561 -2.110 -2.914 1.00 0.00 H new ATOM 0 HG2 MET A 48 0.945 -0.198 -2.336 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.439 -1.196 -0.987 1.00 0.00 H new ATOM 0 HE1 MET A 48 2.860 1.901 -0.095 1.00 0.00 H new ATOM 0 HE2 MET A 48 1.402 1.594 -1.068 1.00 0.00 H new ATOM 0 HE3 MET A 48 1.436 1.138 0.652 1.00 0.00 H new ATOM 798 N LEU A 49 1.073 -4.160 -5.217 1.00 0.00 N ATOM 799 CA LEU A 49 1.467 -5.459 -5.704 1.00 0.00 C ATOM 800 C LEU A 49 2.737 -5.376 -6.467 1.00 0.00 C ATOM 801 O LEU A 49 2.978 -4.435 -7.209 1.00 0.00 O ATOM 802 CB LEU A 49 0.449 -6.124 -6.564 1.00 0.00 C ATOM 803 CG LEU A 49 -0.019 -5.397 -7.834 1.00 0.00 C ATOM 804 CD1 LEU A 49 -0.734 -6.363 -8.720 1.00 0.00 C ATOM 805 CD2 LEU A 49 -0.964 -4.263 -7.502 1.00 0.00 C ATOM 0 H LEU A 49 1.040 -3.432 -5.930 1.00 0.00 H new ATOM 0 HA LEU A 49 1.587 -6.066 -4.807 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.849 -7.093 -6.864 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.430 -6.318 -5.949 1.00 0.00 H new ATOM 0 HG LEU A 49 0.860 -4.989 -8.332 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.068 -5.851 -9.622 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.060 -7.175 -8.992 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.597 -6.769 -8.193 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.277 -3.769 -8.422 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.839 -4.658 -6.987 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.458 -3.544 -6.858 1.00 0.00 H new ATOM 817 N MET A 50 3.513 -6.389 -6.352 1.00 0.00 N ATOM 818 CA MET A 50 4.742 -6.445 -6.851 1.00 0.00 C ATOM 819 C MET A 50 4.869 -7.676 -7.624 1.00 0.00 C ATOM 820 O MET A 50 4.581 -8.790 -7.175 1.00 0.00 O ATOM 821 CB MET A 50 5.757 -6.426 -5.749 1.00 0.00 C ATOM 822 CG MET A 50 5.183 -6.737 -4.373 1.00 0.00 C ATOM 823 SD MET A 50 4.412 -5.296 -3.608 1.00 0.00 S ATOM 824 CE MET A 50 3.478 -6.032 -2.290 1.00 0.00 C ATOM 0 H MET A 50 3.239 -7.240 -5.861 1.00 0.00 H new ATOM 0 HA MET A 50 4.919 -5.579 -7.489 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.539 -7.150 -5.977 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.229 -5.444 -5.721 1.00 0.00 H new ATOM 0 HG2 MET A 50 4.447 -7.536 -4.462 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.978 -7.107 -3.726 1.00 0.00 H new ATOM 0 HE1 MET A 50 3.249 -5.275 -1.540 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.549 -6.442 -2.687 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.061 -6.831 -1.833 1.00 0.00 H new ATOM 834 N ARG A 51 5.237 -7.434 -8.733 1.00 0.00 N ATOM 835 CA ARG A 51 5.540 -8.351 -9.778 1.00 0.00 C ATOM 836 C ARG A 51 6.995 -8.397 -9.934 1.00 0.00 C ATOM 837 O ARG A 51 7.695 -7.416 -9.730 1.00 0.00 O ATOM 838 CB ARG A 51 4.909 -7.856 -11.050 1.00 0.00 C ATOM 839 CG ARG A 51 5.155 -8.615 -12.339 1.00 0.00 C ATOM 840 CD ARG A 51 4.701 -7.782 -13.528 1.00 0.00 C ATOM 841 NE ARG A 51 5.492 -6.544 -13.650 1.00 0.00 N ATOM 842 CZ ARG A 51 5.017 -5.333 -13.977 1.00 0.00 C ATOM 843 NH1 ARG A 51 3.720 -5.154 -14.238 1.00 0.00 N ATOM 844 NH2 ARG A 51 5.854 -4.314 -14.052 1.00 0.00 N ATOM 0 H ARG A 51 5.372 -6.469 -9.036 1.00 0.00 H new ATOM 0 HA ARG A 51 5.159 -9.346 -9.548 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.831 -7.821 -10.890 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.242 -6.830 -11.204 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.215 -8.853 -12.434 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.616 -9.562 -12.321 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.796 -8.368 -14.442 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.646 -7.532 -13.418 1.00 0.00 H new ATOM 0 HE ARG A 51 6.493 -6.615 -13.469 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.076 -5.944 -14.190 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.373 -4.227 -14.485 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.846 -4.454 -13.862 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.508 -3.387 -14.300 1.00 0.00 H new ATOM 858 N ARG A 52 7.421 -9.511 -10.304 1.00 0.00 N ATOM 859 CA ARG A 52 8.740 -9.745 -10.558 1.00 0.00 C ATOM 860 C ARG A 52 8.877 -9.381 -11.971 1.00 0.00 C ATOM 861 O ARG A 52 8.153 -9.873 -12.809 1.00 0.00 O ATOM 862 CB ARG A 52 9.091 -11.192 -10.200 1.00 0.00 C ATOM 863 CG ARG A 52 8.989 -11.478 -8.699 1.00 0.00 C ATOM 864 CD ARG A 52 9.500 -12.868 -8.320 1.00 0.00 C ATOM 865 NE ARG A 52 8.681 -13.978 -8.835 1.00 0.00 N ATOM 866 CZ ARG A 52 9.142 -15.222 -9.063 1.00 0.00 C ATOM 867 NH1 ARG A 52 10.428 -15.503 -8.869 1.00 0.00 N ATOM 868 NH2 ARG A 52 8.313 -16.170 -9.487 1.00 0.00 N ATOM 0 H ARG A 52 6.822 -10.324 -10.444 1.00 0.00 H new ATOM 0 HA ARG A 52 9.447 -9.169 -9.961 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.425 -11.866 -10.739 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.105 -11.409 -10.538 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.558 -10.726 -8.152 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.949 -11.381 -8.386 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.518 -12.981 -8.691 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.547 -12.941 -7.233 1.00 0.00 H new ATOM 0 HE ARG A 52 7.698 -13.792 -9.032 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.066 -14.775 -8.547 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.776 -16.446 -9.042 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.328 -15.955 -9.640 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.662 -17.113 -9.660 1.00 0.00 H new ATOM 882 N GLU A 53 9.755 -8.474 -12.191 1.00 0.00 N ATOM 883 CA GLU A 53 9.931 -7.774 -13.471 1.00 0.00 C ATOM 884 C GLU A 53 9.994 -8.613 -14.651 1.00 0.00 C ATOM 885 O GLU A 53 9.011 -8.686 -15.409 1.00 0.00 O ATOM 886 CB GLU A 53 11.011 -6.713 -13.409 1.00 0.00 C ATOM 887 CG GLU A 53 10.537 -5.418 -12.825 1.00 0.00 C ATOM 888 CD GLU A 53 9.452 -4.794 -13.660 1.00 0.00 C ATOM 889 OE1 GLU A 53 8.281 -5.194 -13.531 1.00 0.00 O ATOM 890 OE2 GLU A 53 9.753 -3.865 -14.445 1.00 0.00 O ATOM 0 H GLU A 53 10.412 -8.165 -11.475 1.00 0.00 H new ATOM 0 HA GLU A 53 8.988 -7.248 -13.616 1.00 0.00 H new ATOM 0 HB2 GLU A 53 11.845 -7.088 -12.815 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.391 -6.532 -14.414 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.165 -5.589 -11.815 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.376 -4.727 -12.743 1.00 0.00 H new ATOM 897 N GLN A 54 11.051 -9.280 -14.844 1.00 0.00 N ATOM 898 CA GLN A 54 11.102 -10.071 -15.995 1.00 0.00 C ATOM 899 C GLN A 54 10.404 -11.396 -15.836 1.00 0.00 C ATOM 900 O GLN A 54 10.243 -12.156 -16.787 1.00 0.00 O ATOM 901 CB GLN A 54 12.441 -10.090 -16.705 1.00 0.00 C ATOM 902 CG GLN A 54 12.758 -8.727 -17.292 1.00 0.00 C ATOM 903 CD GLN A 54 11.657 -8.257 -18.246 1.00 0.00 C ATOM 904 OE1 GLN A 54 11.011 -9.065 -18.934 1.00 0.00 O ATOM 905 NE2 GLN A 54 11.375 -6.986 -18.240 1.00 0.00 N ATOM 0 H GLN A 54 11.873 -9.298 -14.240 1.00 0.00 H new ATOM 0 HA GLN A 54 10.490 -9.550 -16.731 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.225 -10.381 -16.006 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.427 -10.838 -17.498 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.877 -8.002 -16.487 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.708 -8.771 -17.825 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.922 -6.345 -17.665 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.607 -6.631 -18.810 1.00 0.00 H new ATOM 914 N VAL A 55 9.972 -11.648 -14.622 1.00 0.00 N ATOM 915 CA VAL A 55 9.235 -12.810 -14.301 1.00 0.00 C ATOM 916 C VAL A 55 7.715 -12.581 -14.615 1.00 0.00 C ATOM 917 O VAL A 55 6.919 -13.511 -14.618 1.00 0.00 O ATOM 918 CB VAL A 55 9.438 -12.995 -12.766 1.00 0.00 C ATOM 919 CG1 VAL A 55 8.465 -13.973 -12.179 1.00 0.00 C ATOM 920 CG2 VAL A 55 10.858 -13.459 -12.479 1.00 0.00 C ATOM 0 H VAL A 55 10.135 -11.029 -13.828 1.00 0.00 H new ATOM 0 HA VAL A 55 9.560 -13.680 -14.871 1.00 0.00 H new ATOM 0 HB VAL A 55 9.260 -12.026 -12.299 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.646 -14.068 -11.108 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.448 -13.618 -12.345 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.593 -14.945 -12.656 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.989 -13.585 -11.404 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.039 -14.410 -12.981 1.00 0.00 H new ATOM 0 HG23 VAL A 55 11.565 -12.715 -12.846 1.00 0.00 H new ATOM 930 N LEU A 56 7.376 -11.330 -14.977 1.00 0.00 N ATOM 931 CA LEU A 56 6.094 -10.827 -15.391 1.00 0.00 C ATOM 932 C LEU A 56 4.919 -11.190 -14.428 1.00 0.00 C ATOM 933 O LEU A 56 3.747 -10.860 -14.658 1.00 0.00 O ATOM 934 CB LEU A 56 5.895 -11.486 -16.682 1.00 0.00 C ATOM 935 CG LEU A 56 4.565 -11.336 -17.285 1.00 0.00 C ATOM 936 CD1 LEU A 56 4.298 -9.904 -17.772 1.00 0.00 C ATOM 937 CD2 LEU A 56 4.242 -12.399 -18.311 1.00 0.00 C ATOM 0 H LEU A 56 8.077 -10.589 -14.980 1.00 0.00 H new ATOM 0 HA LEU A 56 6.091 -9.737 -15.414 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.635 -11.099 -17.383 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.098 -12.550 -16.559 1.00 0.00 H new ATOM 0 HG LEU A 56 3.851 -11.511 -16.480 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.301 -9.848 -18.209 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.364 -9.215 -16.930 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.039 -9.631 -18.523 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.244 -12.225 -18.714 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.972 -12.358 -19.119 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.277 -13.381 -17.840 1.00 0.00 H new ATOM 949 N LYS A 57 5.233 -11.703 -13.338 1.00 0.00 N ATOM 950 CA LYS A 57 4.215 -12.097 -12.442 1.00 0.00 C ATOM 951 C LYS A 57 4.286 -11.542 -11.017 1.00 0.00 C ATOM 952 O LYS A 57 5.209 -11.871 -10.260 1.00 0.00 O ATOM 953 CB LYS A 57 4.117 -13.581 -12.499 1.00 0.00 C ATOM 954 CG LYS A 57 2.893 -14.181 -11.809 1.00 0.00 C ATOM 955 CD LYS A 57 2.884 -15.696 -11.937 1.00 0.00 C ATOM 956 CE LYS A 57 1.639 -16.326 -11.316 1.00 0.00 C ATOM 957 NZ LYS A 57 0.380 -15.927 -11.997 1.00 0.00 N ATOM 0 H LYS A 57 6.188 -11.871 -13.021 1.00 0.00 H new ATOM 0 HA LYS A 57 3.291 -11.629 -12.782 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.111 -13.888 -13.545 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.013 -14.006 -12.047 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.891 -13.901 -10.755 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.985 -13.770 -12.249 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.939 -15.969 -12.991 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.773 -16.104 -11.455 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.734 -17.411 -11.349 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.582 -16.042 -10.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.408 -16.499 -11.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.190 -14.921 -11.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.475 -16.081 -13.021 1.00 0.00 H new ATOM 971 N VAL A 58 3.414 -10.573 -10.738 1.00 0.00 N ATOM 972 CA VAL A 58 2.960 -10.250 -9.375 1.00 0.00 C ATOM 973 C VAL A 58 2.869 -11.474 -8.462 1.00 0.00 C ATOM 974 O VAL A 58 2.245 -12.491 -8.789 1.00 0.00 O ATOM 975 CB VAL A 58 1.596 -9.500 -9.409 1.00 0.00 C ATOM 976 CG1 VAL A 58 0.547 -10.254 -10.215 1.00 0.00 C ATOM 977 CG2 VAL A 58 1.110 -9.252 -8.000 1.00 0.00 C ATOM 0 H VAL A 58 2.996 -9.981 -11.456 1.00 0.00 H new ATOM 0 HA VAL A 58 3.722 -9.597 -8.949 1.00 0.00 H new ATOM 0 HB VAL A 58 1.754 -8.544 -9.909 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.388 -9.693 -10.211 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.894 -10.374 -11.241 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.383 -11.236 -9.771 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.155 -8.727 -8.032 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.983 -10.205 -7.486 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.840 -8.645 -7.465 1.00 0.00 H new ATOM 987 N CYS A 59 3.530 -11.359 -7.347 1.00 0.00 N ATOM 988 CA CYS A 59 3.546 -12.384 -6.361 1.00 0.00 C ATOM 989 C CYS A 59 2.578 -12.065 -5.239 1.00 0.00 C ATOM 990 O CYS A 59 1.917 -12.970 -4.720 1.00 0.00 O ATOM 991 CB CYS A 59 4.947 -12.538 -5.777 1.00 0.00 C ATOM 992 SG CYS A 59 6.213 -12.957 -6.982 1.00 0.00 S ATOM 0 H CYS A 59 4.079 -10.536 -7.100 1.00 0.00 H new ATOM 0 HA CYS A 59 3.245 -13.314 -6.843 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.226 -11.607 -5.284 1.00 0.00 H new ATOM 0 HB3 CYS A 59 4.924 -13.311 -5.009 1.00 0.00 H new ATOM 0 HG CYS A 59 5.856 -12.524 -8.155 1.00 0.00 H new ATOM 998 N ALA A 60 2.428 -10.774 -4.905 1.00 0.00 N ATOM 999 CA ALA A 60 1.734 -10.403 -3.778 1.00 0.00 C ATOM 1000 C ALA A 60 0.995 -9.199 -4.056 1.00 0.00 C ATOM 1001 O ALA A 60 1.489 -8.307 -4.728 1.00 0.00 O ATOM 1002 CB ALA A 60 2.654 -10.093 -2.662 1.00 0.00 C ATOM 0 H ALA A 60 2.806 -9.996 -5.445 1.00 0.00 H new ATOM 0 HA ALA A 60 1.080 -11.230 -3.502 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.077 -9.803 -1.784 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.252 -10.974 -2.428 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.313 -9.274 -2.950 1.00 0.00 H new ATOM 1008 N ASN A 61 -0.138 -9.196 -3.567 1.00 0.00 N ATOM 1009 CA ASN A 61 -1.010 -8.083 -3.567 1.00 0.00 C ATOM 1010 C ASN A 61 -1.340 -7.755 -2.163 1.00 0.00 C ATOM 1011 O ASN A 61 -2.153 -8.416 -1.517 1.00 0.00 O ATOM 1012 CB ASN A 61 -2.250 -8.382 -4.291 1.00 0.00 C ATOM 1013 CG ASN A 61 -3.242 -7.231 -4.343 1.00 0.00 C ATOM 1014 OD1 ASN A 61 -3.249 -6.465 -5.293 1.00 0.00 O ATOM 1015 ND2 ASN A 61 -4.047 -7.055 -3.301 1.00 0.00 N ATOM 0 H ASN A 61 -0.540 -10.017 -3.115 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.518 -7.246 -4.063 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.999 -8.675 -5.310 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.732 -9.240 -3.822 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -4.691 -6.264 -3.282 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -4.021 -7.710 -2.520 1.00 0.00 H new ATOM 1022 N HIS A 62 -0.687 -6.815 -1.678 1.00 0.00 N ATOM 1023 CA HIS A 62 -0.908 -6.357 -0.338 1.00 0.00 C ATOM 1024 C HIS A 62 -1.636 -5.017 -0.337 1.00 0.00 C ATOM 1025 O HIS A 62 -1.310 -4.139 -1.075 1.00 0.00 O ATOM 1026 CB HIS A 62 0.409 -6.261 0.432 1.00 0.00 C ATOM 1027 CG HIS A 62 1.111 -7.579 0.626 1.00 0.00 C ATOM 1028 ND1 HIS A 62 2.272 -7.901 -0.021 1.00 0.00 N ATOM 1029 CD2 HIS A 62 0.847 -8.633 1.438 1.00 0.00 C ATOM 1030 CE1 HIS A 62 2.691 -9.083 0.383 1.00 0.00 C ATOM 1031 NE2 HIS A 62 1.861 -9.546 1.260 1.00 0.00 N ATOM 0 H HIS A 62 0.040 -6.307 -2.182 1.00 0.00 H new ATOM 0 HA HIS A 62 -1.540 -7.087 0.167 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.077 -5.581 -0.097 1.00 0.00 H new ATOM 0 HB3 HIS A 62 0.214 -5.819 1.409 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.000 -8.736 2.100 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.583 -9.584 0.038 1.00 0.00 H new ATOM 0 HE2 HIS A 62 1.944 -10.442 1.741 1.00 0.00 H new ATOM 1039 N TRP A 63 -2.593 -4.898 0.512 1.00 0.00 N ATOM 1040 CA TRP A 63 -3.398 -3.692 0.688 1.00 0.00 C ATOM 1041 C TRP A 63 -2.663 -2.714 1.587 1.00 0.00 C ATOM 1042 O TRP A 63 -1.896 -3.118 2.450 1.00 0.00 O ATOM 1043 CB TRP A 63 -4.692 -4.031 1.451 1.00 0.00 C ATOM 1044 CG TRP A 63 -5.615 -5.059 0.854 1.00 0.00 C ATOM 1045 CD1 TRP A 63 -5.290 -6.174 0.132 1.00 0.00 C ATOM 1046 CD2 TRP A 63 -7.031 -5.094 1.021 1.00 0.00 C ATOM 1047 NE1 TRP A 63 -6.419 -6.871 -0.183 1.00 0.00 N ATOM 1048 CE2 TRP A 63 -7.505 -6.234 0.357 1.00 0.00 C ATOM 1049 CE3 TRP A 63 -7.949 -4.258 1.664 1.00 0.00 C ATOM 1050 CZ2 TRP A 63 -8.850 -6.568 0.319 1.00 0.00 C ATOM 1051 CZ3 TRP A 63 -9.286 -4.590 1.629 1.00 0.00 C ATOM 1052 CH2 TRP A 63 -9.724 -5.736 0.961 1.00 0.00 C ATOM 0 H TRP A 63 -2.866 -5.655 1.139 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.598 -3.281 -0.302 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -4.412 -4.372 2.448 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -5.257 -3.108 1.577 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -4.287 -6.460 -0.148 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -6.450 -7.730 -0.733 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.616 -3.369 2.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -9.194 -7.452 -0.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -10.005 -3.955 2.125 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -10.778 -5.970 0.952 1.00 0.00 H new ATOM 1063 N ILE A 64 -2.884 -1.443 1.353 1.00 0.00 N ATOM 1064 CA ILE A 64 -2.333 -0.398 2.129 1.00 0.00 C ATOM 1065 C ILE A 64 -3.504 0.362 2.751 1.00 0.00 C ATOM 1066 O ILE A 64 -4.352 0.893 2.039 1.00 0.00 O ATOM 1067 CB ILE A 64 -1.365 0.500 1.234 1.00 0.00 C ATOM 1068 CG1 ILE A 64 -0.994 1.867 1.872 1.00 0.00 C ATOM 1069 CG2 ILE A 64 -1.901 0.680 -0.193 1.00 0.00 C ATOM 1070 CD1 ILE A 64 -2.067 2.922 1.749 1.00 0.00 C ATOM 0 H ILE A 64 -3.474 -1.114 0.589 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.702 -0.767 2.937 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.434 -0.064 1.179 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.771 1.713 2.928 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.082 2.237 1.404 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.210 1.298 -0.766 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.998 -0.295 -0.671 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.877 1.165 -0.157 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.726 3.844 2.220 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.275 3.108 0.695 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.975 2.576 2.243 1.00 0.00 H new ATOM 1082 N THR A 65 -3.623 0.289 4.047 1.00 0.00 N ATOM 1083 CA THR A 65 -4.693 0.959 4.736 1.00 0.00 C ATOM 1084 C THR A 65 -4.265 1.508 6.083 1.00 0.00 C ATOM 1085 O THR A 65 -3.275 1.074 6.658 1.00 0.00 O ATOM 1086 CB THR A 65 -5.931 0.033 4.870 1.00 0.00 C ATOM 1087 OG1 THR A 65 -6.961 0.638 5.651 1.00 0.00 O ATOM 1088 CG2 THR A 65 -5.575 -1.340 5.431 1.00 0.00 C ATOM 0 H THR A 65 -2.988 -0.231 4.652 1.00 0.00 H new ATOM 0 HA THR A 65 -4.973 1.819 4.128 1.00 0.00 H new ATOM 0 HB THR A 65 -6.309 -0.114 3.858 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.725 0.028 5.713 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.477 -1.948 5.504 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.860 -1.829 4.769 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.133 -1.225 6.421 1.00 0.00 H new ATOM 1096 N THR A 66 -5.026 2.465 6.565 1.00 0.00 N ATOM 1097 CA THR A 66 -4.864 3.052 7.886 1.00 0.00 C ATOM 1098 C THR A 66 -5.427 2.116 8.972 1.00 0.00 C ATOM 1099 O THR A 66 -5.299 2.364 10.166 1.00 0.00 O ATOM 1100 CB THR A 66 -5.542 4.400 7.955 1.00 0.00 C ATOM 1101 OG1 THR A 66 -5.850 4.815 6.635 1.00 0.00 O ATOM 1102 CG2 THR A 66 -4.613 5.416 8.573 1.00 0.00 C ATOM 0 H THR A 66 -5.798 2.871 6.037 1.00 0.00 H new ATOM 0 HA THR A 66 -3.798 3.189 8.067 1.00 0.00 H new ATOM 0 HB THR A 66 -6.445 4.322 8.560 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.293 5.689 6.662 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.111 6.384 8.618 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.345 5.098 9.581 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.711 5.500 7.967 1.00 0.00 H new ATOM 1110 N THR A 67 -6.021 1.027 8.516 1.00 0.00 N ATOM 1111 CA THR A 67 -6.554 -0.046 9.345 1.00 0.00 C ATOM 1112 C THR A 67 -5.368 -0.977 9.721 1.00 0.00 C ATOM 1113 O THR A 67 -5.491 -2.019 10.373 1.00 0.00 O ATOM 1114 CB THR A 67 -7.621 -0.799 8.486 1.00 0.00 C ATOM 1115 OG1 THR A 67 -8.654 0.127 8.101 1.00 0.00 O ATOM 1116 CG2 THR A 67 -8.242 -1.974 9.211 1.00 0.00 C ATOM 0 H THR A 67 -6.152 0.857 7.519 1.00 0.00 H new ATOM 0 HA THR A 67 -7.021 0.314 10.262 1.00 0.00 H new ATOM 0 HB THR A 67 -7.109 -1.200 7.611 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.326 -0.339 7.560 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.974 -2.456 8.563 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.464 -2.691 9.475 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.735 -1.623 10.117 1.00 0.00 H new ATOM 1124 N MET A 68 -4.225 -0.530 9.324 1.00 0.00 N ATOM 1125 CA MET A 68 -3.027 -1.164 9.426 1.00 0.00 C ATOM 1126 C MET A 68 -2.036 -0.050 9.676 1.00 0.00 C ATOM 1127 O MET A 68 -2.376 1.133 9.557 1.00 0.00 O ATOM 1128 CB MET A 68 -2.770 -1.757 8.087 1.00 0.00 C ATOM 1129 CG MET A 68 -1.495 -2.516 7.935 1.00 0.00 C ATOM 1130 SD MET A 68 -0.986 -2.547 6.220 1.00 0.00 S ATOM 1131 CE MET A 68 -0.715 -0.800 5.891 1.00 0.00 C ATOM 0 H MET A 68 -4.137 0.384 8.880 1.00 0.00 H new ATOM 0 HA MET A 68 -2.976 -1.931 10.199 1.00 0.00 H new ATOM 0 HB2 MET A 68 -3.597 -2.424 7.844 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.781 -0.954 7.349 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.716 -2.056 8.543 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.625 -3.535 8.300 1.00 0.00 H new ATOM 0 HE1 MET A 68 -0.004 -0.690 5.072 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.660 -0.330 5.617 1.00 0.00 H new ATOM 0 HE3 MET A 68 -0.316 -0.319 6.784 1.00 0.00 H new ATOM 1141 N ASN A 69 -0.891 -0.405 10.022 1.00 0.00 N ATOM 1142 CA ASN A 69 0.180 0.509 10.304 1.00 0.00 C ATOM 1143 C ASN A 69 1.486 -0.032 9.756 1.00 0.00 C ATOM 1144 O ASN A 69 1.670 -1.250 9.672 1.00 0.00 O ATOM 1145 CB ASN A 69 0.249 0.657 11.809 1.00 0.00 C ATOM 1146 CG ASN A 69 1.466 1.409 12.330 1.00 0.00 C ATOM 1147 OD1 ASN A 69 2.464 0.804 12.713 1.00 0.00 O ATOM 1148 ND2 ASN A 69 1.407 2.722 12.318 1.00 0.00 N ATOM 0 H ASN A 69 -0.626 -1.384 10.132 1.00 0.00 H new ATOM 0 HA ASN A 69 0.006 1.476 9.833 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.650 1.172 12.149 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.236 -0.337 12.257 1.00 0.00 H new ATOM 0 HD21 ASN A 69 2.206 3.271 12.633 1.00 0.00 H new ATOM 0 HD22 ASN A 69 0.562 3.192 11.993 1.00 0.00 H new ATOM 1155 N LEU A 70 2.337 0.867 9.318 1.00 0.00 N ATOM 1156 CA LEU A 70 3.604 0.581 8.899 1.00 0.00 C ATOM 1157 C LEU A 70 4.569 0.671 10.051 1.00 0.00 C ATOM 1158 O LEU A 70 4.519 1.569 10.893 1.00 0.00 O ATOM 1159 CB LEU A 70 3.975 1.420 7.678 1.00 0.00 C ATOM 1160 CG LEU A 70 3.802 2.941 7.697 1.00 0.00 C ATOM 1161 CD1 LEU A 70 4.639 3.547 8.757 1.00 0.00 C ATOM 1162 CD2 LEU A 70 4.268 3.436 6.391 1.00 0.00 C ATOM 0 H LEU A 70 2.108 1.859 9.259 1.00 0.00 H new ATOM 0 HA LEU A 70 3.660 -0.452 8.555 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.023 1.218 7.456 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.393 1.041 6.838 1.00 0.00 H new ATOM 0 HG LEU A 70 2.761 3.200 7.889 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.502 4.628 8.755 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.344 3.146 9.727 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.687 3.313 8.571 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.164 4.520 6.355 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.315 3.167 6.252 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.670 2.988 5.598 1.00 0.00 H new ATOM 1174 N LYS A 71 5.340 -0.269 10.118 1.00 0.00 N ATOM 1175 CA LYS A 71 6.321 -0.407 11.151 1.00 0.00 C ATOM 1176 C LYS A 71 7.705 -0.410 10.488 1.00 0.00 C ATOM 1177 O LYS A 71 7.930 -1.167 9.548 1.00 0.00 O ATOM 1178 CB LYS A 71 6.017 -1.714 11.950 1.00 0.00 C ATOM 1179 CG LYS A 71 6.755 -1.896 13.285 1.00 0.00 C ATOM 1180 CD LYS A 71 8.218 -2.220 13.109 1.00 0.00 C ATOM 1181 CE LYS A 71 8.945 -2.260 14.435 1.00 0.00 C ATOM 1182 NZ LYS A 71 10.396 -2.487 14.258 1.00 0.00 N ATOM 0 H LYS A 71 5.347 -1.033 9.442 1.00 0.00 H new ATOM 0 HA LYS A 71 6.297 0.417 11.864 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.945 -1.751 12.146 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.254 -2.565 11.312 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.659 -0.984 13.875 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.277 -2.695 13.852 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.320 -3.183 12.609 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.681 -1.474 12.462 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.786 -1.321 14.966 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.526 -3.052 15.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.916 -2.028 15.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.591 -3.508 14.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.702 -2.084 13.349 1.00 0.00 H new ATOM 1196 N PRO A 72 8.624 0.480 10.913 1.00 0.00 N ATOM 1197 CA PRO A 72 9.975 0.551 10.339 1.00 0.00 C ATOM 1198 C PRO A 72 10.768 -0.731 10.614 1.00 0.00 C ATOM 1199 O PRO A 72 10.728 -1.274 11.724 1.00 0.00 O ATOM 1200 CB PRO A 72 10.614 1.759 11.036 1.00 0.00 C ATOM 1201 CG PRO A 72 9.819 1.951 12.285 1.00 0.00 C ATOM 1202 CD PRO A 72 8.424 1.485 11.973 1.00 0.00 C ATOM 0 HA PRO A 72 9.959 0.654 9.254 1.00 0.00 H new ATOM 0 HB2 PRO A 72 11.664 1.574 11.261 1.00 0.00 H new ATOM 0 HB3 PRO A 72 10.575 2.646 10.403 1.00 0.00 H new ATOM 0 HG2 PRO A 72 10.245 1.379 13.109 1.00 0.00 H new ATOM 0 HG3 PRO A 72 9.820 2.998 12.590 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.940 1.053 12.849 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.793 2.306 11.633 1.00 0.00 H new ATOM 1210 N LEU A 73 11.489 -1.192 9.622 1.00 0.00 N ATOM 1211 CA LEU A 73 12.181 -2.452 9.693 1.00 0.00 C ATOM 1212 C LEU A 73 13.314 -2.392 10.661 1.00 0.00 C ATOM 1213 O LEU A 73 13.928 -1.334 10.862 1.00 0.00 O ATOM 1214 CB LEU A 73 12.781 -2.780 8.357 1.00 0.00 C ATOM 1215 CG LEU A 73 12.728 -4.238 7.931 1.00 0.00 C ATOM 1216 CD1 LEU A 73 11.299 -4.733 7.884 1.00 0.00 C ATOM 1217 CD2 LEU A 73 13.361 -4.393 6.584 1.00 0.00 C ATOM 0 H LEU A 73 11.612 -0.699 8.737 1.00 0.00 H new ATOM 0 HA LEU A 73 11.452 -3.200 10.005 1.00 0.00 H new ATOM 0 HB2 LEU A 73 12.273 -2.184 7.599 1.00 0.00 H new ATOM 0 HB3 LEU A 73 13.824 -2.464 8.364 1.00 0.00 H new ATOM 0 HG LEU A 73 13.275 -4.832 8.663 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.286 -5.779 7.577 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.849 -4.640 8.872 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.731 -4.138 7.169 1.00 0.00 H new ATOM 0 HD21 LEU A 73 13.321 -5.439 6.282 1.00 0.00 H new ATOM 0 HD22 LEU A 73 12.823 -3.785 5.857 1.00 0.00 H new ATOM 0 HD23 LEU A 73 14.400 -4.068 6.631 1.00 0.00 H new ATOM 1229 N SER A 74 13.598 -3.498 11.254 1.00 0.00 N ATOM 1230 CA SER A 74 14.752 -3.616 12.048 1.00 0.00 C ATOM 1231 C SER A 74 15.924 -3.716 11.174 1.00 0.00 C ATOM 1232 O SER A 74 15.921 -4.491 10.209 1.00 0.00 O ATOM 1233 CB SER A 74 14.718 -4.845 12.882 1.00 0.00 C ATOM 1234 OG SER A 74 13.758 -4.733 13.926 1.00 0.00 O ATOM 0 H SER A 74 13.030 -4.344 11.197 1.00 0.00 H new ATOM 0 HA SER A 74 14.800 -2.740 12.695 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.480 -5.705 12.257 1.00 0.00 H new ATOM 0 HB3 SER A 74 15.704 -5.025 13.309 1.00 0.00 H new ATOM 0 HG SER A 74 13.756 -5.556 14.458 1.00 0.00 H new ATOM 1240 N GLY A 75 16.890 -2.914 11.438 1.00 0.00 N ATOM 1241 CA GLY A 75 18.084 -3.058 10.734 1.00 0.00 C ATOM 1242 C GLY A 75 18.086 -2.356 9.371 1.00 0.00 C ATOM 1243 O GLY A 75 19.114 -2.322 8.693 1.00 0.00 O ATOM 0 H GLY A 75 16.867 -2.164 12.129 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.901 -2.662 11.337 1.00 0.00 H new ATOM 0 HA3 GLY A 75 18.282 -4.120 10.586 1.00 0.00 H new ATOM 1247 N SER A 76 16.935 -1.819 8.948 1.00 0.00 N ATOM 1248 CA SER A 76 16.860 -1.074 7.734 1.00 0.00 C ATOM 1249 C SER A 76 17.231 0.352 7.945 1.00 0.00 C ATOM 1250 O SER A 76 17.289 0.872 9.076 1.00 0.00 O ATOM 1251 CB SER A 76 15.486 -1.180 7.123 1.00 0.00 C ATOM 1252 OG SER A 76 15.499 -0.670 5.804 1.00 0.00 O ATOM 0 H SER A 76 16.050 -1.900 9.449 1.00 0.00 H new ATOM 0 HA SER A 76 17.581 -1.506 7.040 1.00 0.00 H new ATOM 0 HB2 SER A 76 15.162 -2.221 7.115 1.00 0.00 H new ATOM 0 HB3 SER A 76 14.767 -0.627 7.728 1.00 0.00 H new ATOM 0 HG SER A 76 15.712 -1.392 5.176 1.00 0.00 H new ATOM 1258 N ASP A 77 17.490 0.954 6.848 1.00 0.00 N ATOM 1259 CA ASP A 77 17.834 2.276 6.704 1.00 0.00 C ATOM 1260 C ASP A 77 16.564 2.990 6.677 1.00 0.00 C ATOM 1261 O ASP A 77 16.350 3.918 7.442 1.00 0.00 O ATOM 1262 CB ASP A 77 18.595 2.488 5.376 1.00 0.00 C ATOM 1263 CG ASP A 77 17.927 1.806 4.159 1.00 0.00 C ATOM 1264 OD1 ASP A 77 17.790 0.552 4.161 1.00 0.00 O ATOM 1265 OD2 ASP A 77 17.488 2.471 3.235 1.00 0.00 O ATOM 0 H ASP A 77 17.457 0.466 5.953 1.00 0.00 H new ATOM 0 HA ASP A 77 18.486 2.623 7.505 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.677 3.557 5.182 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.610 2.105 5.484 1.00 0.00 H new ATOM 1270 N ARG A 78 15.652 2.465 5.873 1.00 0.00 N ATOM 1271 CA ARG A 78 14.371 3.083 5.766 1.00 0.00 C ATOM 1272 C ARG A 78 13.301 2.238 5.048 1.00 0.00 C ATOM 1273 O ARG A 78 12.409 2.765 4.407 1.00 0.00 O ATOM 1274 CB ARG A 78 14.429 4.514 5.231 1.00 0.00 C ATOM 1275 CG ARG A 78 13.358 5.400 5.874 1.00 0.00 C ATOM 1276 CD ARG A 78 13.798 5.945 7.235 1.00 0.00 C ATOM 1277 NE ARG A 78 14.476 7.259 7.105 1.00 0.00 N ATOM 1278 CZ ARG A 78 15.786 7.511 7.224 1.00 0.00 C ATOM 1279 NH1 ARG A 78 16.648 6.542 7.419 1.00 0.00 N ATOM 1280 NH2 ARG A 78 16.210 8.758 7.119 1.00 0.00 N ATOM 0 H ARG A 78 15.785 1.630 5.303 1.00 0.00 H new ATOM 0 HA ARG A 78 14.034 3.147 6.800 1.00 0.00 H new ATOM 0 HB2 ARG A 78 15.415 4.936 5.425 1.00 0.00 H new ATOM 0 HB3 ARG A 78 14.293 4.505 4.150 1.00 0.00 H new ATOM 0 HG2 ARG A 78 13.130 6.232 5.208 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.439 4.827 5.994 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.929 6.046 7.885 1.00 0.00 H new ATOM 0 HD3 ARG A 78 14.472 5.233 7.712 1.00 0.00 H new ATOM 0 HE ARG A 78 13.877 8.060 6.902 1.00 0.00 H new ATOM 0 HH11 ARG A 78 16.325 5.577 7.482 1.00 0.00 H new ATOM 0 HH12 ARG A 78 17.642 6.754 7.507 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.543 9.511 6.950 1.00 0.00 H new ATOM 0 HH22 ARG A 78 17.204 8.968 7.207 1.00 0.00 H new ATOM 1294 N ALA A 79 13.288 0.985 5.324 1.00 0.00 N ATOM 1295 CA ALA A 79 12.302 0.086 4.772 1.00 0.00 C ATOM 1296 C ALA A 79 11.321 -0.194 5.887 1.00 0.00 C ATOM 1297 O ALA A 79 11.640 -0.014 7.070 1.00 0.00 O ATOM 1298 CB ALA A 79 12.949 -1.218 4.369 1.00 0.00 C ATOM 0 H ALA A 79 13.962 0.536 5.944 1.00 0.00 H new ATOM 0 HA ALA A 79 11.827 0.524 3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 79 12.194 -1.886 3.955 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.716 -1.027 3.618 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.405 -1.683 5.243 1.00 0.00 H new ATOM 1304 N TRP A 80 10.150 -0.568 5.538 1.00 0.00 N ATOM 1305 CA TRP A 80 9.045 -0.652 6.441 1.00 0.00 C ATOM 1306 C TRP A 80 8.251 -1.878 6.140 1.00 0.00 C ATOM 1307 O TRP A 80 8.395 -2.471 5.061 1.00 0.00 O ATOM 1308 CB TRP A 80 8.176 0.633 6.323 1.00 0.00 C ATOM 1309 CG TRP A 80 8.371 1.336 5.001 1.00 0.00 C ATOM 1310 CD1 TRP A 80 9.183 2.402 4.767 1.00 0.00 C ATOM 1311 CD2 TRP A 80 7.803 0.990 3.738 1.00 0.00 C ATOM 1312 NE1 TRP A 80 9.151 2.742 3.449 1.00 0.00 N ATOM 1313 CE2 TRP A 80 8.310 1.895 2.793 1.00 0.00 C ATOM 1314 CE3 TRP A 80 6.917 0.014 3.314 1.00 0.00 C ATOM 1315 CZ2 TRP A 80 7.964 1.842 1.462 1.00 0.00 C ATOM 1316 CZ3 TRP A 80 6.574 -0.030 1.982 1.00 0.00 C ATOM 1317 CH2 TRP A 80 7.094 0.872 1.074 1.00 0.00 C ATOM 0 H TRP A 80 9.915 -0.836 4.582 1.00 0.00 H new ATOM 0 HA TRP A 80 9.404 -0.723 7.468 1.00 0.00 H new ATOM 0 HB2 TRP A 80 7.125 0.370 6.441 1.00 0.00 H new ATOM 0 HB3 TRP A 80 8.427 1.315 7.135 1.00 0.00 H new ATOM 0 HD1 TRP A 80 9.770 2.907 5.520 1.00 0.00 H new ATOM 0 HE1 TRP A 80 9.673 3.507 3.022 1.00 0.00 H new ATOM 0 HE3 TRP A 80 6.504 -0.698 4.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 8.369 2.546 0.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 5.883 -0.786 1.639 1.00 0.00 H new ATOM 0 HH2 TRP A 80 6.804 0.805 0.036 1.00 0.00 H new ATOM 1328 N MET A 81 7.462 -2.276 7.076 1.00 0.00 N ATOM 1329 CA MET A 81 6.650 -3.380 6.952 1.00 0.00 C ATOM 1330 C MET A 81 5.303 -2.975 7.296 1.00 0.00 C ATOM 1331 O MET A 81 5.094 -2.101 8.136 1.00 0.00 O ATOM 1332 CB MET A 81 7.052 -4.562 7.828 1.00 0.00 C ATOM 1333 CG MET A 81 7.192 -4.279 9.314 1.00 0.00 C ATOM 1334 SD MET A 81 7.285 -5.780 10.328 1.00 0.00 S ATOM 1335 CE MET A 81 8.719 -6.606 9.648 1.00 0.00 C ATOM 0 H MET A 81 7.380 -1.804 7.977 1.00 0.00 H new ATOM 0 HA MET A 81 6.737 -3.730 5.923 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.312 -5.352 7.698 1.00 0.00 H new ATOM 0 HB3 MET A 81 8.002 -4.952 7.463 1.00 0.00 H new ATOM 0 HG2 MET A 81 8.089 -3.682 9.480 1.00 0.00 H new ATOM 0 HG3 MET A 81 6.344 -3.679 9.643 1.00 0.00 H new ATOM 0 HE1 MET A 81 8.835 -7.582 10.120 1.00 0.00 H new ATOM 0 HE2 MET A 81 8.589 -6.736 8.574 1.00 0.00 H new ATOM 0 HE3 MET A 81 9.608 -6.004 9.835 1.00 0.00 H new ATOM 1345 N TRP A 82 4.432 -3.547 6.658 1.00 0.00 N ATOM 1346 CA TRP A 82 3.080 -3.313 6.860 1.00 0.00 C ATOM 1347 C TRP A 82 2.433 -4.641 6.885 1.00 0.00 C ATOM 1348 O TRP A 82 2.994 -5.588 6.336 1.00 0.00 O ATOM 1349 CB TRP A 82 2.451 -2.367 5.837 1.00 0.00 C ATOM 1350 CG TRP A 82 2.277 -2.834 4.400 1.00 0.00 C ATOM 1351 CD1 TRP A 82 1.095 -3.177 3.814 1.00 0.00 C ATOM 1352 CD2 TRP A 82 3.271 -2.962 3.373 1.00 0.00 C ATOM 1353 NE1 TRP A 82 1.274 -3.475 2.499 1.00 0.00 N ATOM 1354 CE2 TRP A 82 2.596 -3.364 2.195 1.00 0.00 C ATOM 1355 CE3 TRP A 82 4.647 -2.776 3.323 1.00 0.00 C ATOM 1356 CZ2 TRP A 82 3.256 -3.573 0.990 1.00 0.00 C ATOM 1357 CZ3 TRP A 82 5.300 -2.991 2.123 1.00 0.00 C ATOM 1358 CH2 TRP A 82 4.605 -3.383 0.973 1.00 0.00 C ATOM 0 H TRP A 82 4.628 -4.236 5.932 1.00 0.00 H new ATOM 0 HA TRP A 82 2.932 -2.784 7.801 1.00 0.00 H new ATOM 0 HB2 TRP A 82 1.467 -2.087 6.212 1.00 0.00 H new ATOM 0 HB3 TRP A 82 3.054 -1.459 5.816 1.00 0.00 H new ATOM 0 HD1 TRP A 82 0.144 -3.208 4.325 1.00 0.00 H new ATOM 0 HE1 TRP A 82 0.536 -3.739 1.846 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.195 -2.470 4.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 2.721 -3.874 0.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 6.370 -2.853 2.072 1.00 0.00 H new ATOM 0 HH2 TRP A 82 5.149 -3.538 0.053 1.00 0.00 H new ATOM 1369 N LEU A 83 1.363 -4.791 7.541 1.00 0.00 N ATOM 1370 CA LEU A 83 0.797 -6.105 7.539 1.00 0.00 C ATOM 1371 C LEU A 83 -0.457 -6.190 6.682 1.00 0.00 C ATOM 1372 O LEU A 83 -1.419 -5.465 6.883 1.00 0.00 O ATOM 1373 CB LEU A 83 0.549 -6.681 8.940 1.00 0.00 C ATOM 1374 CG LEU A 83 -0.433 -5.943 9.869 1.00 0.00 C ATOM 1375 CD1 LEU A 83 -0.863 -6.876 10.981 1.00 0.00 C ATOM 1376 CD2 LEU A 83 0.218 -4.709 10.487 1.00 0.00 C ATOM 0 H LEU A 83 0.865 -4.074 8.069 1.00 0.00 H new ATOM 0 HA LEU A 83 1.561 -6.736 7.085 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.189 -7.703 8.821 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.510 -6.739 9.451 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.293 -5.627 9.278 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.558 -6.358 11.642 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.352 -7.751 10.553 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.012 -7.191 11.550 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.498 -4.207 11.138 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.089 -5.010 11.069 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.529 -4.027 9.696 1.00 0.00 H new ATOM 1388 N ALA A 84 -0.463 -7.125 5.781 1.00 0.00 N ATOM 1389 CA ALA A 84 -1.566 -7.278 4.854 1.00 0.00 C ATOM 1390 C ALA A 84 -1.826 -8.706 4.528 1.00 0.00 C ATOM 1391 O ALA A 84 -0.935 -9.550 4.625 1.00 0.00 O ATOM 1392 CB ALA A 84 -1.283 -6.580 3.559 1.00 0.00 C ATOM 0 H ALA A 84 0.288 -7.805 5.660 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.434 -6.843 5.351 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.128 -6.712 2.883 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.129 -5.517 3.745 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.386 -7.003 3.106 1.00 0.00 H new ATOM 1398 N SER A 85 -3.022 -8.976 4.134 1.00 0.00 N ATOM 1399 CA SER A 85 -3.365 -10.182 3.570 1.00 0.00 C ATOM 1400 C SER A 85 -3.169 -10.185 2.111 1.00 0.00 C ATOM 1401 O SER A 85 -3.788 -9.431 1.355 1.00 0.00 O ATOM 1402 CB SER A 85 -4.725 -10.541 3.965 1.00 0.00 C ATOM 1403 OG SER A 85 -5.430 -9.395 4.462 1.00 0.00 O ATOM 0 H SER A 85 -3.799 -8.320 4.210 1.00 0.00 H new ATOM 0 HA SER A 85 -2.694 -10.952 3.950 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.258 -10.959 3.111 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.694 -11.315 4.732 1.00 0.00 H new ATOM 0 HG SER A 85 -6.339 -9.656 4.719 1.00 0.00 H new ATOM 1409 N ASP A 86 -2.234 -10.974 1.752 1.00 0.00 N ATOM 1410 CA ASP A 86 -1.941 -11.224 0.397 1.00 0.00 C ATOM 1411 C ASP A 86 -2.710 -12.408 -0.173 1.00 0.00 C ATOM 1412 O ASP A 86 -3.061 -13.354 0.547 1.00 0.00 O ATOM 1413 CB ASP A 86 -0.433 -11.375 0.099 1.00 0.00 C ATOM 1414 CG ASP A 86 -0.119 -12.043 -1.253 1.00 0.00 C ATOM 1415 OD1 ASP A 86 -0.537 -11.513 -2.319 1.00 0.00 O ATOM 1416 OD2 ASP A 86 0.546 -13.090 -1.258 1.00 0.00 O ATOM 0 H ASP A 86 -1.636 -11.477 2.408 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.281 -10.322 -0.113 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.030 -10.389 0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.026 -11.960 0.896 1.00 0.00 H new ATOM 1421 N PHE A 87 -3.030 -12.256 -1.432 1.00 0.00 N ATOM 1422 CA PHE A 87 -3.486 -13.257 -2.347 1.00 0.00 C ATOM 1423 C PHE A 87 -3.776 -12.530 -3.621 1.00 0.00 C ATOM 1424 O PHE A 87 -4.906 -12.122 -3.861 1.00 0.00 O ATOM 1425 CB PHE A 87 -4.732 -13.996 -1.930 1.00 0.00 C ATOM 1426 CG PHE A 87 -5.053 -15.226 -2.759 1.00 0.00 C ATOM 1427 CD1 PHE A 87 -4.464 -16.437 -2.489 1.00 0.00 C ATOM 1428 CD2 PHE A 87 -5.951 -15.149 -3.816 1.00 0.00 C ATOM 1429 CE1 PHE A 87 -4.752 -17.553 -3.248 1.00 0.00 C ATOM 1430 CE2 PHE A 87 -6.244 -16.259 -4.578 1.00 0.00 C ATOM 1431 CZ PHE A 87 -5.643 -17.464 -4.293 1.00 0.00 C ATOM 0 H PHE A 87 -2.970 -11.341 -1.879 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.713 -14.023 -2.418 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.627 -14.296 -0.887 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.578 -13.310 -1.981 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.765 -16.517 -1.670 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.426 -14.206 -4.044 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.278 -18.497 -3.022 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.944 -16.184 -5.397 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.870 -18.337 -4.887 1.00 0.00 H new ATOM 1441 N SER A 88 -2.744 -12.239 -4.388 1.00 0.00 N ATOM 1442 CA SER A 88 -2.976 -11.613 -5.690 1.00 0.00 C ATOM 1443 C SER A 88 -3.704 -12.638 -6.516 1.00 0.00 C ATOM 1444 O SER A 88 -4.653 -12.350 -7.249 1.00 0.00 O ATOM 1445 CB SER A 88 -1.648 -11.237 -6.361 1.00 0.00 C ATOM 1446 OG SER A 88 -1.870 -10.585 -7.602 1.00 0.00 O ATOM 0 H SER A 88 -1.767 -12.415 -4.152 1.00 0.00 H new ATOM 0 HA SER A 88 -3.551 -10.693 -5.587 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.075 -10.585 -5.701 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.050 -12.134 -6.520 1.00 0.00 H new ATOM 0 HG SER A 88 -1.213 -10.898 -8.258 1.00 0.00 H new ATOM 1452 N ASP A 89 -3.256 -13.843 -6.277 1.00 0.00 N ATOM 1453 CA ASP A 89 -3.753 -15.079 -6.776 1.00 0.00 C ATOM 1454 C ASP A 89 -2.712 -16.048 -6.319 1.00 0.00 C ATOM 1455 O ASP A 89 -2.474 -17.077 -6.919 1.00 0.00 O ATOM 1456 CB ASP A 89 -3.801 -15.053 -8.297 1.00 0.00 C ATOM 1457 CG ASP A 89 -4.522 -16.233 -8.935 1.00 0.00 C ATOM 1458 OD1 ASP A 89 -5.756 -16.166 -9.095 1.00 0.00 O ATOM 1459 OD2 ASP A 89 -3.874 -17.234 -9.315 1.00 0.00 O ATOM 0 H ASP A 89 -2.453 -13.986 -5.665 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.761 -15.315 -6.436 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -4.290 -14.132 -8.615 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -2.780 -15.020 -8.678 1.00 0.00 H new ATOM 1464 N GLY A 90 -2.117 -15.745 -5.171 1.00 0.00 N ATOM 1465 CA GLY A 90 -0.932 -16.433 -4.873 1.00 0.00 C ATOM 1466 C GLY A 90 -1.084 -17.374 -3.816 1.00 0.00 C ATOM 1467 O GLY A 90 -1.211 -18.586 -4.018 1.00 0.00 O ATOM 0 H GLY A 90 -2.436 -15.062 -4.484 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -0.586 -16.952 -5.767 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -0.159 -15.713 -4.603 1.00 0.00 H new ATOM 1471 N ASP A 91 -1.104 -16.835 -2.722 1.00 0.00 N ATOM 1472 CA ASP A 91 -1.095 -17.562 -1.512 1.00 0.00 C ATOM 1473 C ASP A 91 -1.838 -16.789 -0.495 1.00 0.00 C ATOM 1474 O ASP A 91 -1.693 -15.588 -0.428 1.00 0.00 O ATOM 1475 CB ASP A 91 0.346 -17.698 -1.152 1.00 0.00 C ATOM 1476 CG ASP A 91 0.645 -18.322 0.192 1.00 0.00 C ATOM 1477 OD1 ASP A 91 -0.104 -19.221 0.625 1.00 0.00 O ATOM 1478 OD2 ASP A 91 1.692 -17.998 0.797 1.00 0.00 O ATOM 0 H ASP A 91 -1.129 -15.823 -2.595 1.00 0.00 H new ATOM 0 HA ASP A 91 -1.568 -18.541 -1.587 1.00 0.00 H new ATOM 0 HB2 ASP A 91 0.836 -18.293 -1.922 1.00 0.00 H new ATOM 0 HB3 ASP A 91 0.800 -16.707 -1.178 1.00 0.00 H new ATOM 1483 N ALA A 92 -2.665 -17.453 0.246 1.00 0.00 N ATOM 1484 CA ALA A 92 -3.478 -16.773 1.221 1.00 0.00 C ATOM 1485 C ALA A 92 -2.717 -16.643 2.505 1.00 0.00 C ATOM 1486 O ALA A 92 -2.600 -17.598 3.290 1.00 0.00 O ATOM 1487 CB ALA A 92 -4.792 -17.490 1.442 1.00 0.00 C ATOM 0 H ALA A 92 -2.800 -18.463 0.201 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.714 -15.778 0.843 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -5.381 -16.950 2.184 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.344 -17.535 0.503 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.599 -18.502 1.799 1.00 0.00 H new ATOM 1493 N LYS A 93 -2.172 -15.498 2.700 1.00 0.00 N ATOM 1494 CA LYS A 93 -1.381 -15.200 3.799 1.00 0.00 C ATOM 1495 C LYS A 93 -1.731 -13.879 4.370 1.00 0.00 C ATOM 1496 O LYS A 93 -1.950 -12.930 3.633 1.00 0.00 O ATOM 1497 CB LYS A 93 0.003 -15.059 3.301 1.00 0.00 C ATOM 1498 CG LYS A 93 0.794 -16.318 3.151 1.00 0.00 C ATOM 1499 CD LYS A 93 1.470 -16.727 4.439 1.00 0.00 C ATOM 1500 CE LYS A 93 2.288 -17.990 4.237 1.00 0.00 C ATOM 1501 NZ LYS A 93 3.179 -17.888 3.053 1.00 0.00 N ATOM 0 H LYS A 93 -2.282 -14.715 2.055 1.00 0.00 H new ATOM 0 HA LYS A 93 -1.512 -15.979 4.550 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.033 -14.562 2.331 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.542 -14.397 3.978 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.136 -17.120 2.818 1.00 0.00 H new ATOM 0 HG3 LYS A 93 1.547 -16.181 2.375 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.116 -15.921 4.789 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.720 -16.893 5.213 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.887 -18.181 5.127 1.00 0.00 H new ATOM 0 HE3 LYS A 93 1.618 -18.841 4.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.061 -18.408 3.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.702 -18.296 2.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.399 -16.888 2.869 1.00 0.00 H new ATOM 1515 N LEU A 94 -1.782 -13.797 5.645 1.00 0.00 N ATOM 1516 CA LEU A 94 -1.760 -12.520 6.238 1.00 0.00 C ATOM 1517 C LEU A 94 -0.382 -12.412 6.768 1.00 0.00 C ATOM 1518 O LEU A 94 0.095 -13.291 7.483 1.00 0.00 O ATOM 1519 CB LEU A 94 -2.903 -12.210 7.231 1.00 0.00 C ATOM 1520 CG LEU A 94 -2.983 -12.951 8.585 1.00 0.00 C ATOM 1521 CD1 LEU A 94 -2.014 -12.372 9.617 1.00 0.00 C ATOM 1522 CD2 LEU A 94 -4.404 -12.908 9.111 1.00 0.00 C ATOM 0 H LEU A 94 -1.838 -14.586 6.289 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.979 -11.732 5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.860 -11.143 7.449 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.842 -12.391 6.708 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.688 -13.987 8.415 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.106 -12.924 10.552 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.993 -12.456 9.245 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.252 -11.323 9.791 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.455 -13.432 10.066 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.709 -11.871 9.250 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.071 -13.390 8.397 1.00 0.00 H new ATOM 1534 N GLU A 95 0.264 -11.425 6.375 1.00 0.00 N ATOM 1535 CA GLU A 95 1.609 -11.367 6.461 1.00 0.00 C ATOM 1536 C GLU A 95 1.963 -10.032 6.813 1.00 0.00 C ATOM 1537 O GLU A 95 1.308 -9.069 6.442 1.00 0.00 O ATOM 1538 CB GLU A 95 2.130 -11.772 5.089 1.00 0.00 C ATOM 1539 CG GLU A 95 3.610 -11.795 4.872 1.00 0.00 C ATOM 1540 CD GLU A 95 3.897 -12.079 3.422 1.00 0.00 C ATOM 1541 OE1 GLU A 95 3.459 -11.283 2.545 1.00 0.00 O ATOM 1542 OE2 GLU A 95 4.480 -13.123 3.117 1.00 0.00 O ATOM 0 H GLU A 95 -0.164 -10.596 5.964 1.00 0.00 H new ATOM 0 HA GLU A 95 2.036 -12.027 7.216 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.746 -12.768 4.868 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.697 -11.093 4.355 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.046 -10.838 5.160 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.069 -12.557 5.501 1.00 0.00 H new ATOM 1549 N GLN A 96 2.934 -9.977 7.553 1.00 0.00 N ATOM 1550 CA GLN A 96 3.489 -8.818 7.908 1.00 0.00 C ATOM 1551 C GLN A 96 4.634 -8.816 6.989 1.00 0.00 C ATOM 1552 O GLN A 96 5.494 -9.665 7.062 1.00 0.00 O ATOM 1553 CB GLN A 96 3.967 -8.772 9.384 1.00 0.00 C ATOM 1554 CG GLN A 96 2.915 -9.083 10.464 1.00 0.00 C ATOM 1555 CD GLN A 96 2.440 -10.530 10.465 1.00 0.00 C ATOM 1556 OE1 GLN A 96 3.178 -11.448 10.107 1.00 0.00 O ATOM 1557 NE2 GLN A 96 1.217 -10.744 10.870 1.00 0.00 N ATOM 0 H GLN A 96 3.390 -10.798 7.951 1.00 0.00 H new ATOM 0 HA GLN A 96 2.809 -7.969 7.849 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.789 -9.479 9.497 1.00 0.00 H new ATOM 0 HB3 GLN A 96 4.371 -7.779 9.579 1.00 0.00 H new ATOM 0 HG2 GLN A 96 3.333 -8.848 11.443 1.00 0.00 H new ATOM 0 HG3 GLN A 96 2.055 -8.429 10.319 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.631 -9.961 11.160 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.847 -11.694 10.896 1.00 0.00 H new ATOM 1566 N LEU A 97 4.621 -7.961 6.143 1.00 0.00 N ATOM 1567 CA LEU A 97 5.573 -7.979 5.106 1.00 0.00 C ATOM 1568 C LEU A 97 6.268 -6.707 4.965 1.00 0.00 C ATOM 1569 O LEU A 97 5.750 -5.665 5.323 1.00 0.00 O ATOM 1570 CB LEU A 97 4.965 -8.469 3.778 1.00 0.00 C ATOM 1571 CG LEU A 97 3.830 -7.685 3.088 1.00 0.00 C ATOM 1572 CD1 LEU A 97 2.621 -7.421 3.959 1.00 0.00 C ATOM 1573 CD2 LEU A 97 4.332 -6.440 2.444 1.00 0.00 C ATOM 0 H LEU A 97 3.954 -7.190 6.106 1.00 0.00 H new ATOM 0 HA LEU A 97 6.333 -8.707 5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.783 -8.545 3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.596 -9.480 3.949 1.00 0.00 H new ATOM 0 HG LEU A 97 3.467 -8.351 2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.876 -6.865 3.389 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.194 -8.369 4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.920 -6.838 4.830 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.503 -5.916 1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.783 -5.796 3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.078 -6.695 1.692 1.00 0.00 H new ATOM 1585 N ALA A 98 7.395 -6.781 4.392 1.00 0.00 N ATOM 1586 CA ALA A 98 8.231 -5.626 4.269 1.00 0.00 C ATOM 1587 C ALA A 98 8.596 -5.374 2.843 1.00 0.00 C ATOM 1588 O ALA A 98 8.450 -6.244 2.001 1.00 0.00 O ATOM 1589 CB ALA A 98 9.482 -5.784 5.116 1.00 0.00 C ATOM 0 H ALA A 98 7.782 -7.634 3.989 1.00 0.00 H new ATOM 0 HA ALA A 98 7.669 -4.764 4.630 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.107 -4.897 5.011 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.200 -5.908 6.162 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.038 -6.661 4.784 1.00 0.00 H new ATOM 1595 N ALA A 99 9.028 -4.184 2.574 1.00 0.00 N ATOM 1596 CA ALA A 99 9.546 -3.824 1.286 1.00 0.00 C ATOM 1597 C ALA A 99 10.618 -2.807 1.489 1.00 0.00 C ATOM 1598 O ALA A 99 10.553 -2.017 2.439 1.00 0.00 O ATOM 1599 CB ALA A 99 8.469 -3.273 0.366 1.00 0.00 C ATOM 0 H ALA A 99 9.033 -3.421 3.251 1.00 0.00 H new ATOM 0 HA ALA A 99 9.941 -4.718 0.803 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.910 -3.015 -0.597 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.695 -4.026 0.220 1.00 0.00 H new ATOM 0 HB3 ALA A 99 8.029 -2.382 0.814 1.00 0.00 H new ATOM 1605 N LYS A 100 11.595 -2.811 0.637 1.00 0.00 N ATOM 1606 CA LYS A 100 12.648 -1.910 0.725 1.00 0.00 C ATOM 1607 C LYS A 100 12.944 -1.399 -0.617 1.00 0.00 C ATOM 1608 O LYS A 100 12.893 -2.109 -1.623 1.00 0.00 O ATOM 1609 CB LYS A 100 13.919 -2.523 1.312 1.00 0.00 C ATOM 1610 CG LYS A 100 15.146 -1.600 1.257 1.00 0.00 C ATOM 1611 CD LYS A 100 16.410 -2.199 1.828 1.00 0.00 C ATOM 1612 CE LYS A 100 17.651 -1.440 1.311 1.00 0.00 C ATOM 1613 NZ LYS A 100 17.592 0.040 1.528 1.00 0.00 N ATOM 0 H LYS A 100 11.663 -3.462 -0.146 1.00 0.00 H new ATOM 0 HA LYS A 100 12.335 -1.113 1.400 1.00 0.00 H new ATOM 0 HB2 LYS A 100 13.731 -2.797 2.350 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.147 -3.444 0.775 1.00 0.00 H new ATOM 0 HG2 LYS A 100 15.328 -1.321 0.219 1.00 0.00 H new ATOM 0 HG3 LYS A 100 14.918 -0.682 1.798 1.00 0.00 H new ATOM 0 HD2 LYS A 100 16.379 -2.158 2.917 1.00 0.00 H new ATOM 0 HD3 LYS A 100 16.478 -3.251 1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 100 18.538 -1.835 1.806 1.00 0.00 H new ATOM 0 HE3 LYS A 100 17.767 -1.637 0.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 18.539 0.448 1.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 16.934 0.465 0.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 17.262 0.236 2.494 1.00 0.00 H new ATOM 1627 N PHE A 101 13.230 -0.217 -0.588 1.00 0.00 N ATOM 1628 CA PHE A 101 13.671 0.545 -1.700 1.00 0.00 C ATOM 1629 C PHE A 101 15.161 0.734 -1.567 1.00 0.00 C ATOM 1630 O PHE A 101 15.687 0.770 -0.449 1.00 0.00 O ATOM 1631 CB PHE A 101 12.962 1.876 -1.765 1.00 0.00 C ATOM 1632 CG PHE A 101 11.535 1.790 -2.233 1.00 0.00 C ATOM 1633 CD1 PHE A 101 11.243 1.885 -3.586 1.00 0.00 C ATOM 1634 CD2 PHE A 101 10.496 1.624 -1.341 1.00 0.00 C ATOM 1635 CE1 PHE A 101 9.945 1.814 -4.038 1.00 0.00 C ATOM 1636 CE2 PHE A 101 9.192 1.551 -1.790 1.00 0.00 C ATOM 1637 CZ PHE A 101 8.917 1.646 -3.139 1.00 0.00 C ATOM 0 H PHE A 101 13.172 0.334 0.269 1.00 0.00 H new ATOM 0 HA PHE A 101 13.439 0.020 -2.627 1.00 0.00 H new ATOM 0 HB2 PHE A 101 12.982 2.335 -0.776 1.00 0.00 H new ATOM 0 HB3 PHE A 101 13.513 2.537 -2.434 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.047 2.017 -4.295 1.00 0.00 H new ATOM 0 HD2 PHE A 101 10.704 1.551 -0.284 1.00 0.00 H new ATOM 0 HE1 PHE A 101 9.734 1.890 -5.094 1.00 0.00 H new ATOM 0 HE2 PHE A 101 8.386 1.419 -1.084 1.00 0.00 H new ATOM 0 HZ PHE A 101 7.897 1.589 -3.488 1.00 0.00 H new ATOM 1647 N LYS A 102 15.810 0.877 -2.687 1.00 0.00 N ATOM 1648 CA LYS A 102 17.273 0.917 -2.807 1.00 0.00 C ATOM 1649 C LYS A 102 17.940 1.851 -1.801 1.00 0.00 C ATOM 1650 O LYS A 102 18.845 1.448 -1.065 1.00 0.00 O ATOM 1651 CB LYS A 102 17.700 1.318 -4.237 1.00 0.00 C ATOM 1652 CG LYS A 102 17.353 0.348 -5.352 1.00 0.00 C ATOM 1653 CD LYS A 102 15.868 0.337 -5.672 1.00 0.00 C ATOM 1654 CE LYS A 102 15.574 -0.564 -6.831 1.00 0.00 C ATOM 1655 NZ LYS A 102 16.236 -0.112 -8.072 1.00 0.00 N ATOM 0 H LYS A 102 15.335 0.974 -3.584 1.00 0.00 H new ATOM 0 HA LYS A 102 17.612 -0.095 -2.586 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.245 2.281 -4.470 1.00 0.00 H new ATOM 0 HB3 LYS A 102 18.780 1.467 -4.240 1.00 0.00 H new ATOM 0 HG2 LYS A 102 17.913 0.615 -6.249 1.00 0.00 H new ATOM 0 HG3 LYS A 102 17.667 -0.656 -5.067 1.00 0.00 H new ATOM 0 HD2 LYS A 102 15.307 0.006 -4.798 1.00 0.00 H new ATOM 0 HD3 LYS A 102 15.534 1.349 -5.900 1.00 0.00 H new ATOM 0 HE2 LYS A 102 15.902 -1.576 -6.594 1.00 0.00 H new ATOM 0 HE3 LYS A 102 14.497 -0.607 -6.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 15.780 -0.561 -8.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 16.154 0.922 -8.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 17.241 -0.378 -8.046 1.00 0.00 H new ATOM 1669 N THR A 103 17.445 3.049 -1.729 1.00 0.00 N ATOM 1670 CA THR A 103 18.039 4.075 -0.921 1.00 0.00 C ATOM 1671 C THR A 103 16.998 4.553 0.059 1.00 0.00 C ATOM 1672 O THR A 103 15.798 4.380 -0.213 1.00 0.00 O ATOM 1673 CB THR A 103 18.418 5.266 -1.833 1.00 0.00 C ATOM 1674 OG1 THR A 103 17.237 5.680 -2.562 1.00 0.00 O ATOM 1675 CG2 THR A 103 19.501 4.876 -2.823 1.00 0.00 C ATOM 0 H THR A 103 16.610 3.347 -2.233 1.00 0.00 H new ATOM 0 HA THR A 103 18.921 3.694 -0.406 1.00 0.00 H new ATOM 0 HB THR A 103 18.798 6.078 -1.213 1.00 0.00 H new ATOM 0 HG1 THR A 103 17.490 6.324 -3.256 1.00 0.00 H new ATOM 0 HG21 THR A 103 19.746 5.733 -3.450 1.00 0.00 H new ATOM 0 HG22 THR A 103 20.391 4.556 -2.281 1.00 0.00 H new ATOM 0 HG23 THR A 103 19.144 4.058 -3.449 1.00 0.00 H new ATOM 1683 N PRO A 104 17.384 5.192 1.194 1.00 0.00 N ATOM 1684 CA PRO A 104 16.418 5.787 2.115 1.00 0.00 C ATOM 1685 C PRO A 104 15.717 6.960 1.494 1.00 0.00 C ATOM 1686 O PRO A 104 14.952 7.570 2.079 1.00 0.00 O ATOM 1687 CB PRO A 104 17.228 6.271 3.302 1.00 0.00 C ATOM 1688 CG PRO A 104 18.531 5.556 3.190 1.00 0.00 C ATOM 1689 CD PRO A 104 18.757 5.317 1.714 1.00 0.00 C ATOM 0 HA PRO A 104 15.654 5.059 2.389 1.00 0.00 H new ATOM 0 HB2 PRO A 104 17.366 7.352 3.273 1.00 0.00 H new ATOM 0 HB3 PRO A 104 16.729 6.039 4.243 1.00 0.00 H new ATOM 0 HG2 PRO A 104 19.339 6.151 3.616 1.00 0.00 H new ATOM 0 HG3 PRO A 104 18.506 4.614 3.737 1.00 0.00 H new ATOM 0 HD2 PRO A 104 19.293 6.143 1.247 1.00 0.00 H new ATOM 0 HD3 PRO A 104 19.342 4.415 1.534 1.00 0.00 H new ATOM 1697 N GLU A 105 16.090 7.309 0.354 1.00 0.00 N ATOM 1698 CA GLU A 105 15.404 8.308 -0.396 1.00 0.00 C ATOM 1699 C GLU A 105 14.096 7.720 -0.845 1.00 0.00 C ATOM 1700 O GLU A 105 13.035 8.216 -0.532 1.00 0.00 O ATOM 1701 CB GLU A 105 16.221 8.799 -1.574 1.00 0.00 C ATOM 1702 CG GLU A 105 15.546 9.905 -2.356 1.00 0.00 C ATOM 1703 CD GLU A 105 16.355 10.336 -3.527 1.00 0.00 C ATOM 1704 OE1 GLU A 105 17.278 11.152 -3.353 1.00 0.00 O ATOM 1705 OE2 GLU A 105 16.111 9.847 -4.640 1.00 0.00 O ATOM 0 H GLU A 105 16.901 6.913 -0.122 1.00 0.00 H new ATOM 0 HA GLU A 105 15.233 9.183 0.231 1.00 0.00 H new ATOM 0 HB2 GLU A 105 17.186 9.156 -1.214 1.00 0.00 H new ATOM 0 HB3 GLU A 105 16.420 7.961 -2.242 1.00 0.00 H new ATOM 0 HG2 GLU A 105 14.569 9.563 -2.697 1.00 0.00 H new ATOM 0 HG3 GLU A 105 15.374 10.759 -1.701 1.00 0.00 H new ATOM 1712 N LEU A 106 14.213 6.578 -1.498 1.00 0.00 N ATOM 1713 CA LEU A 106 13.095 5.893 -2.076 1.00 0.00 C ATOM 1714 C LEU A 106 12.312 5.264 -0.971 1.00 0.00 C ATOM 1715 O LEU A 106 11.095 5.319 -0.925 1.00 0.00 O ATOM 1716 CB LEU A 106 13.595 4.864 -3.097 1.00 0.00 C ATOM 1717 CG LEU A 106 14.321 5.413 -4.326 1.00 0.00 C ATOM 1718 CD1 LEU A 106 14.761 4.269 -5.223 1.00 0.00 C ATOM 1719 CD2 LEU A 106 13.436 6.383 -5.100 1.00 0.00 C ATOM 0 H LEU A 106 15.104 6.102 -1.638 1.00 0.00 H new ATOM 0 HA LEU A 106 12.442 6.582 -2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.266 4.175 -2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.740 4.281 -3.439 1.00 0.00 H new ATOM 0 HG LEU A 106 15.201 5.960 -3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 106 15.277 4.669 -6.096 1.00 0.00 H new ATOM 0 HD12 LEU A 106 15.435 3.613 -4.672 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.887 3.703 -5.546 1.00 0.00 H new ATOM 0 HD21 LEU A 106 13.979 6.757 -5.968 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.534 5.868 -5.430 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.162 7.219 -4.456 1.00 0.00 H new ATOM 1731 N ALA A 107 13.051 4.732 -0.045 1.00 0.00 N ATOM 1732 CA ALA A 107 12.527 4.103 1.117 1.00 0.00 C ATOM 1733 C ALA A 107 11.887 5.147 2.038 1.00 0.00 C ATOM 1734 O ALA A 107 10.747 4.952 2.486 1.00 0.00 O ATOM 1735 CB ALA A 107 13.665 3.360 1.800 1.00 0.00 C ATOM 0 H ALA A 107 14.070 4.727 -0.084 1.00 0.00 H new ATOM 0 HA ALA A 107 11.744 3.391 0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 107 13.291 2.867 2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 107 14.073 2.613 1.119 1.00 0.00 H new ATOM 0 HB3 ALA A 107 14.448 4.067 2.075 1.00 0.00 H new ATOM 1741 N GLU A 108 12.581 6.281 2.302 1.00 0.00 N ATOM 1742 CA GLU A 108 11.986 7.268 3.244 1.00 0.00 C ATOM 1743 C GLU A 108 10.803 8.015 2.649 1.00 0.00 C ATOM 1744 O GLU A 108 9.773 8.158 3.298 1.00 0.00 O ATOM 1745 CB GLU A 108 13.007 8.239 3.854 1.00 0.00 C ATOM 1746 CG GLU A 108 12.441 9.153 4.921 1.00 0.00 C ATOM 1747 CD GLU A 108 13.456 10.126 5.428 1.00 0.00 C ATOM 1748 OE1 GLU A 108 13.855 11.032 4.677 1.00 0.00 O ATOM 1749 OE2 GLU A 108 13.874 10.010 6.592 1.00 0.00 O ATOM 0 H GLU A 108 13.490 6.528 1.910 1.00 0.00 H new ATOM 0 HA GLU A 108 11.609 6.662 4.068 1.00 0.00 H new ATOM 0 HB2 GLU A 108 13.826 7.663 4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 108 13.431 8.850 3.057 1.00 0.00 H new ATOM 0 HG2 GLU A 108 11.589 9.698 4.515 1.00 0.00 H new ATOM 0 HG3 GLU A 108 12.069 8.553 5.751 1.00 0.00 H new ATOM 1756 N GLU A 109 10.941 8.464 1.423 1.00 0.00 N ATOM 1757 CA GLU A 109 9.879 9.233 0.770 1.00 0.00 C ATOM 1758 C GLU A 109 8.618 8.430 0.624 1.00 0.00 C ATOM 1759 O GLU A 109 7.522 8.934 0.889 1.00 0.00 O ATOM 1760 CB GLU A 109 10.313 9.787 -0.583 1.00 0.00 C ATOM 1761 CG GLU A 109 11.309 10.920 -0.485 1.00 0.00 C ATOM 1762 CD GLU A 109 10.730 12.114 0.225 1.00 0.00 C ATOM 1763 OE1 GLU A 109 10.003 12.903 -0.414 1.00 0.00 O ATOM 1764 OE2 GLU A 109 10.982 12.295 1.430 1.00 0.00 O ATOM 0 H GLU A 109 11.772 8.316 0.850 1.00 0.00 H new ATOM 0 HA GLU A 109 9.672 10.080 1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 109 10.750 8.981 -1.172 1.00 0.00 H new ATOM 0 HB3 GLU A 109 9.432 10.135 -1.123 1.00 0.00 H new ATOM 0 HG2 GLU A 109 12.198 10.578 0.045 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.627 11.212 -1.486 1.00 0.00 H new ATOM 1771 N PHE A 110 8.763 7.177 0.256 1.00 0.00 N ATOM 1772 CA PHE A 110 7.617 6.335 0.068 1.00 0.00 C ATOM 1773 C PHE A 110 6.959 6.055 1.409 1.00 0.00 C ATOM 1774 O PHE A 110 5.774 5.971 1.483 1.00 0.00 O ATOM 1775 CB PHE A 110 8.006 5.044 -0.602 1.00 0.00 C ATOM 1776 CG PHE A 110 6.883 4.406 -1.384 1.00 0.00 C ATOM 1777 CD1 PHE A 110 5.984 3.547 -0.778 1.00 0.00 C ATOM 1778 CD2 PHE A 110 6.734 4.675 -2.732 1.00 0.00 C ATOM 1779 CE1 PHE A 110 4.962 2.969 -1.499 1.00 0.00 C ATOM 1780 CE2 PHE A 110 5.714 4.100 -3.460 1.00 0.00 C ATOM 1781 CZ PHE A 110 4.826 3.246 -2.843 1.00 0.00 C ATOM 0 H PHE A 110 9.661 6.726 0.083 1.00 0.00 H new ATOM 0 HA PHE A 110 6.907 6.852 -0.578 1.00 0.00 H new ATOM 0 HB2 PHE A 110 8.844 5.231 -1.273 1.00 0.00 H new ATOM 0 HB3 PHE A 110 8.355 4.342 0.155 1.00 0.00 H new ATOM 0 HD1 PHE A 110 6.085 3.326 0.274 1.00 0.00 H new ATOM 0 HD2 PHE A 110 7.426 5.345 -3.221 1.00 0.00 H new ATOM 0 HE1 PHE A 110 4.268 2.300 -1.012 1.00 0.00 H new ATOM 0 HE2 PHE A 110 5.611 4.319 -4.513 1.00 0.00 H new ATOM 0 HZ PHE A 110 4.026 2.795 -3.411 1.00 0.00 H new ATOM 1791 N LYS A 111 7.767 5.965 2.460 1.00 0.00 N ATOM 1792 CA LYS A 111 7.291 5.733 3.862 1.00 0.00 C ATOM 1793 C LYS A 111 6.307 6.826 4.239 1.00 0.00 C ATOM 1794 O LYS A 111 5.195 6.576 4.712 1.00 0.00 O ATOM 1795 CB LYS A 111 8.516 5.832 4.799 1.00 0.00 C ATOM 1796 CG LYS A 111 8.357 5.348 6.260 1.00 0.00 C ATOM 1797 CD LYS A 111 7.574 6.315 7.146 1.00 0.00 C ATOM 1798 CE LYS A 111 7.528 5.823 8.583 1.00 0.00 C ATOM 1799 NZ LYS A 111 6.801 6.753 9.467 1.00 0.00 N ATOM 0 H LYS A 111 8.781 6.048 2.386 1.00 0.00 H new ATOM 0 HA LYS A 111 6.811 4.758 3.946 1.00 0.00 H new ATOM 0 HB2 LYS A 111 9.329 5.264 4.346 1.00 0.00 H new ATOM 0 HB3 LYS A 111 8.832 6.875 4.826 1.00 0.00 H new ATOM 0 HG2 LYS A 111 7.854 4.381 6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 111 9.346 5.193 6.692 1.00 0.00 H new ATOM 0 HD2 LYS A 111 8.036 7.302 7.110 1.00 0.00 H new ATOM 0 HD3 LYS A 111 6.559 6.424 6.763 1.00 0.00 H new ATOM 0 HE2 LYS A 111 7.049 4.844 8.615 1.00 0.00 H new ATOM 0 HE3 LYS A 111 8.545 5.692 8.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 6.368 6.222 10.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 7.464 7.457 9.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 6.057 7.238 8.925 1.00 0.00 H new ATOM 1813 N GLN A 112 6.757 8.021 4.031 1.00 0.00 N ATOM 1814 CA GLN A 112 5.999 9.255 4.304 1.00 0.00 C ATOM 1815 C GLN A 112 4.699 9.272 3.542 1.00 0.00 C ATOM 1816 O GLN A 112 3.628 9.567 4.085 1.00 0.00 O ATOM 1817 CB GLN A 112 6.776 10.399 3.771 1.00 0.00 C ATOM 1818 CG GLN A 112 8.176 10.593 4.351 1.00 0.00 C ATOM 1819 CD GLN A 112 8.201 11.086 5.790 1.00 0.00 C ATOM 1820 OE1 GLN A 112 7.299 10.812 6.596 1.00 0.00 O ATOM 1821 NE2 GLN A 112 9.237 11.804 6.130 1.00 0.00 N ATOM 0 H GLN A 112 7.688 8.199 3.655 1.00 0.00 H new ATOM 0 HA GLN A 112 5.819 9.310 5.378 1.00 0.00 H new ATOM 0 HB2 GLN A 112 6.866 10.278 2.691 1.00 0.00 H new ATOM 0 HB3 GLN A 112 6.205 11.311 3.943 1.00 0.00 H new ATOM 0 HG2 GLN A 112 8.713 9.646 4.296 1.00 0.00 H new ATOM 0 HG3 GLN A 112 8.718 11.304 3.727 1.00 0.00 H new ATOM 0 HE21 GLN A 112 9.962 12.011 5.443 1.00 0.00 H new ATOM 0 HE22 GLN A 112 9.322 12.158 7.083 1.00 0.00 H new ATOM 1830 N LYS A 113 4.814 9.018 2.270 1.00 0.00 N ATOM 1831 CA LYS A 113 3.746 9.014 1.382 1.00 0.00 C ATOM 1832 C LYS A 113 2.789 7.930 1.717 1.00 0.00 C ATOM 1833 O LYS A 113 1.605 8.112 1.643 1.00 0.00 O ATOM 1834 CB LYS A 113 4.326 8.785 0.039 1.00 0.00 C ATOM 1835 CG LYS A 113 4.927 10.013 -0.594 1.00 0.00 C ATOM 1836 CD LYS A 113 5.587 9.692 -1.905 1.00 0.00 C ATOM 1837 CE LYS A 113 6.259 10.915 -2.492 1.00 0.00 C ATOM 1838 NZ LYS A 113 6.932 10.606 -3.761 1.00 0.00 N ATOM 0 H LYS A 113 5.708 8.801 1.829 1.00 0.00 H new ATOM 0 HA LYS A 113 3.196 9.954 1.427 1.00 0.00 H new ATOM 0 HB2 LYS A 113 5.095 8.016 0.114 1.00 0.00 H new ATOM 0 HB3 LYS A 113 3.549 8.395 -0.618 1.00 0.00 H new ATOM 0 HG2 LYS A 113 4.149 10.760 -0.751 1.00 0.00 H new ATOM 0 HG3 LYS A 113 5.658 10.452 0.085 1.00 0.00 H new ATOM 0 HD2 LYS A 113 6.324 8.902 -1.760 1.00 0.00 H new ATOM 0 HD3 LYS A 113 4.844 9.310 -2.605 1.00 0.00 H new ATOM 0 HE2 LYS A 113 5.516 11.696 -2.654 1.00 0.00 H new ATOM 0 HE3 LYS A 113 6.985 11.308 -1.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 7.381 11.467 -4.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 7.658 9.878 -3.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 6.234 10.254 -4.447 1.00 0.00 H new ATOM 1852 N PHE A 114 3.340 6.838 2.114 1.00 0.00 N ATOM 1853 CA PHE A 114 2.588 5.605 2.449 1.00 0.00 C ATOM 1854 C PHE A 114 1.554 5.885 3.542 1.00 0.00 C ATOM 1855 O PHE A 114 0.365 5.661 3.335 1.00 0.00 O ATOM 1856 CB PHE A 114 3.583 4.524 2.941 1.00 0.00 C ATOM 1857 CG PHE A 114 3.054 3.114 3.177 1.00 0.00 C ATOM 1858 CD1 PHE A 114 1.945 2.866 3.974 1.00 0.00 C ATOM 1859 CD2 PHE A 114 3.721 2.037 2.639 1.00 0.00 C ATOM 1860 CE1 PHE A 114 1.517 1.586 4.215 1.00 0.00 C ATOM 1861 CE2 PHE A 114 3.288 0.750 2.875 1.00 0.00 C ATOM 1862 CZ PHE A 114 2.188 0.528 3.663 1.00 0.00 C ATOM 0 H PHE A 114 4.349 6.739 2.229 1.00 0.00 H new ATOM 0 HA PHE A 114 2.065 5.255 1.559 1.00 0.00 H new ATOM 0 HB2 PHE A 114 4.391 4.459 2.213 1.00 0.00 H new ATOM 0 HB3 PHE A 114 4.022 4.876 3.874 1.00 0.00 H new ATOM 0 HD1 PHE A 114 1.410 3.696 4.412 1.00 0.00 H new ATOM 0 HD2 PHE A 114 4.594 2.202 2.025 1.00 0.00 H new ATOM 0 HE1 PHE A 114 0.653 1.413 4.839 1.00 0.00 H new ATOM 0 HE2 PHE A 114 3.816 -0.085 2.439 1.00 0.00 H new ATOM 0 HZ PHE A 114 1.851 -0.481 3.848 1.00 0.00 H new ATOM 1872 N GLU A 115 1.998 6.438 4.658 1.00 0.00 N ATOM 1873 CA GLU A 115 1.095 6.721 5.778 1.00 0.00 C ATOM 1874 C GLU A 115 0.119 7.834 5.414 1.00 0.00 C ATOM 1875 O GLU A 115 -1.041 7.805 5.823 1.00 0.00 O ATOM 1876 CB GLU A 115 1.907 7.055 7.033 1.00 0.00 C ATOM 1877 CG GLU A 115 2.995 8.091 6.800 1.00 0.00 C ATOM 1878 CD GLU A 115 3.825 8.350 8.012 1.00 0.00 C ATOM 1879 OE1 GLU A 115 4.448 7.410 8.533 1.00 0.00 O ATOM 1880 OE2 GLU A 115 3.857 9.501 8.489 1.00 0.00 O ATOM 0 H GLU A 115 2.970 6.701 4.819 1.00 0.00 H new ATOM 0 HA GLU A 115 0.500 5.833 5.993 1.00 0.00 H new ATOM 0 HB2 GLU A 115 1.231 7.419 7.806 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.363 6.141 7.413 1.00 0.00 H new ATOM 0 HG2 GLU A 115 3.641 7.754 5.989 1.00 0.00 H new ATOM 0 HG3 GLU A 115 2.536 9.025 6.475 1.00 0.00 H new ATOM 1887 N GLU A 116 0.584 8.795 4.615 1.00 0.00 N ATOM 1888 CA GLU A 116 -0.240 9.877 4.160 1.00 0.00 C ATOM 1889 C GLU A 116 -1.354 9.310 3.290 1.00 0.00 C ATOM 1890 O GLU A 116 -2.530 9.591 3.499 1.00 0.00 O ATOM 1891 CB GLU A 116 0.577 10.880 3.353 1.00 0.00 C ATOM 1892 CG GLU A 116 -0.097 12.232 3.193 1.00 0.00 C ATOM 1893 CD GLU A 116 -0.151 12.972 4.516 1.00 0.00 C ATOM 1894 OE1 GLU A 116 0.890 13.532 4.938 1.00 0.00 O ATOM 1895 OE2 GLU A 116 -1.204 12.988 5.175 1.00 0.00 O ATOM 0 H GLU A 116 1.545 8.831 4.274 1.00 0.00 H new ATOM 0 HA GLU A 116 -0.658 10.394 5.024 1.00 0.00 H new ATOM 0 HB2 GLU A 116 1.543 11.021 3.838 1.00 0.00 H new ATOM 0 HB3 GLU A 116 0.774 10.463 2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 116 0.446 12.829 2.460 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -1.107 12.095 2.807 1.00 0.00 H new ATOM 1902 N CYS A 117 -0.956 8.445 2.366 1.00 0.00 N ATOM 1903 CA CYS A 117 -1.789 7.768 1.482 1.00 0.00 C ATOM 1904 C CYS A 117 -2.800 6.927 2.195 1.00 0.00 C ATOM 1905 O CYS A 117 -3.901 6.768 1.708 1.00 0.00 O ATOM 1906 CB CYS A 117 -0.963 6.961 0.553 1.00 0.00 C ATOM 1907 SG CYS A 117 -0.193 7.899 -0.789 1.00 0.00 S ATOM 0 H CYS A 117 0.028 8.208 2.236 1.00 0.00 H new ATOM 0 HA CYS A 117 -2.357 8.500 0.908 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -0.180 6.463 1.125 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -1.587 6.180 0.120 1.00 0.00 H new ATOM 0 HG CYS A 117 0.911 8.438 -0.364 1.00 0.00 H new ATOM 1913 N GLN A 118 -2.430 6.391 3.347 1.00 0.00 N ATOM 1914 CA GLN A 118 -3.350 5.582 4.105 1.00 0.00 C ATOM 1915 C GLN A 118 -4.626 6.390 4.369 1.00 0.00 C ATOM 1916 O GLN A 118 -5.731 5.917 4.081 1.00 0.00 O ATOM 1917 CB GLN A 118 -2.696 5.186 5.445 1.00 0.00 C ATOM 1918 CG GLN A 118 -1.576 4.166 5.342 1.00 0.00 C ATOM 1919 CD GLN A 118 -0.861 3.894 6.665 1.00 0.00 C ATOM 1920 OE1 GLN A 118 0.317 3.575 6.694 1.00 0.00 O ATOM 1921 NE2 GLN A 118 -1.565 4.004 7.754 1.00 0.00 N ATOM 0 H GLN A 118 -1.508 6.504 3.768 1.00 0.00 H new ATOM 0 HA GLN A 118 -3.600 4.680 3.547 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -2.304 6.086 5.919 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -3.468 4.789 6.104 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -1.985 3.230 4.962 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -0.846 4.515 4.611 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -2.548 4.272 7.701 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -1.134 3.822 8.660 1.00 0.00 H new ATOM 1930 N ARG A 119 -4.479 7.613 4.878 1.00 0.00 N ATOM 1931 CA ARG A 119 -5.642 8.488 5.048 1.00 0.00 C ATOM 1932 C ARG A 119 -6.169 9.073 3.742 1.00 0.00 C ATOM 1933 O ARG A 119 -7.353 9.088 3.445 1.00 0.00 O ATOM 1934 CB ARG A 119 -5.411 9.621 6.061 1.00 0.00 C ATOM 1935 CG ARG A 119 -5.069 9.217 7.495 1.00 0.00 C ATOM 1936 CD ARG A 119 -3.587 8.897 7.670 1.00 0.00 C ATOM 1937 NE ARG A 119 -2.735 10.062 7.356 1.00 0.00 N ATOM 1938 CZ ARG A 119 -1.467 10.239 7.769 1.00 0.00 C ATOM 1939 NH1 ARG A 119 -0.897 9.359 8.587 1.00 0.00 N ATOM 1940 NH2 ARG A 119 -0.774 11.298 7.358 1.00 0.00 N ATOM 0 H ARG A 119 -3.589 8.015 5.174 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.405 7.820 5.448 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.604 10.250 5.686 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -6.309 10.238 6.089 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -5.347 10.024 8.173 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -5.662 8.346 7.776 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -3.403 8.577 8.696 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -3.316 8.063 7.023 1.00 0.00 H new ATOM 0 HE ARG A 119 -3.143 10.795 6.776 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -1.422 8.544 8.905 1.00 0.00 H new ATOM 0 HH12 ARG A 119 0.065 9.499 8.896 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -1.204 11.976 6.729 1.00 0.00 H new ATOM 0 HH22 ARG A 119 0.187 11.431 7.672 1.00 0.00 H new ATOM 1954 N LEU A 120 -5.261 9.569 3.037 1.00 0.00 N ATOM 1955 CA LEU A 120 -5.480 10.382 1.860 1.00 0.00 C ATOM 1956 C LEU A 120 -5.897 9.707 0.578 1.00 0.00 C ATOM 1957 O LEU A 120 -6.916 10.075 0.023 1.00 0.00 O ATOM 1958 CB LEU A 120 -4.372 11.437 1.644 1.00 0.00 C ATOM 1959 CG LEU A 120 -4.513 12.767 2.399 1.00 0.00 C ATOM 1960 CD1 LEU A 120 -4.367 12.592 3.897 1.00 0.00 C ATOM 1961 CD2 LEU A 120 -3.522 13.787 1.866 1.00 0.00 C ATOM 0 H LEU A 120 -4.272 9.433 3.247 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.403 10.892 2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -3.419 10.988 1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -4.319 11.658 0.578 1.00 0.00 H new ATOM 0 HG LEU A 120 -5.522 13.139 2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.474 13.559 4.388 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -5.138 11.913 4.261 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -3.384 12.178 4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.635 14.724 2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.507 13.411 1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.711 13.959 0.806 1.00 0.00 H new ATOM 1973 N LEU A 121 -5.225 8.617 0.219 1.00 0.00 N ATOM 1974 CA LEU A 121 -5.299 7.973 -1.138 1.00 0.00 C ATOM 1975 C LEU A 121 -6.709 7.522 -1.449 1.00 0.00 C ATOM 1976 O LEU A 121 -7.112 7.362 -2.593 1.00 0.00 O ATOM 1977 CB LEU A 121 -4.226 6.841 -1.254 1.00 0.00 C ATOM 1978 CG LEU A 121 -4.001 6.136 -2.612 1.00 0.00 C ATOM 1979 CD1 LEU A 121 -2.616 5.508 -2.636 1.00 0.00 C ATOM 1980 CD2 LEU A 121 -5.012 5.034 -2.828 1.00 0.00 C ATOM 0 H LEU A 121 -4.596 8.129 0.857 1.00 0.00 H new ATOM 0 HA LEU A 121 -5.056 8.706 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.271 7.265 -0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -4.484 6.072 -0.526 1.00 0.00 H new ATOM 0 HG LEU A 121 -4.106 6.885 -3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.458 5.011 -3.593 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -1.862 6.284 -2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -2.533 4.778 -1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.829 4.556 -3.791 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.920 4.295 -2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -6.017 5.455 -2.817 1.00 0.00 H new ATOM 1992 N LEU A 122 -7.424 7.396 -0.414 1.00 0.00 N ATOM 1993 CA LEU A 122 -8.756 6.914 -0.372 1.00 0.00 C ATOM 1994 C LEU A 122 -9.789 7.764 -1.104 1.00 0.00 C ATOM 1995 O LEU A 122 -10.594 7.241 -1.872 1.00 0.00 O ATOM 1996 CB LEU A 122 -9.091 7.140 1.047 1.00 0.00 C ATOM 1997 CG LEU A 122 -8.434 6.208 2.077 1.00 0.00 C ATOM 1998 CD1 LEU A 122 -8.990 6.472 3.465 1.00 0.00 C ATOM 1999 CD2 LEU A 122 -8.644 4.751 1.696 1.00 0.00 C ATOM 0 H LEU A 122 -7.074 7.645 0.511 1.00 0.00 H new ATOM 0 HA LEU A 122 -8.790 5.913 -0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -8.822 8.166 1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -10.172 7.057 1.157 1.00 0.00 H new ATOM 0 HG LEU A 122 -7.363 6.412 2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -8.513 5.803 4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -8.791 7.506 3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -10.066 6.297 3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -8.171 4.109 2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -9.712 4.535 1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -8.200 4.563 0.718 1.00 0.00 H new