USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 728 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 53 SER OG : rot 180:sc= -0.152 USER MOD Set 1.2: A 65 THR OG1 : rot 172:sc= -0.15 USER MOD Set 2.1: A 36 GLN : amide:sc= -11.6! C(o=-16!,f=-18!) USER MOD Set 2.2: A 48 ASN : amide:sc= -4.71! C(o=-16!,f=-31!) USER MOD Set 3.1: A 37 CYS SG : rot -133:sc= -9.64! USER MOD Set 3.2: A 47 CYS SG : rot -85:sc= -9.17! USER MOD Set 4.1: A 27 GLN : amide:sc= -0.251 X(o=0.14,f=0.32) USER MOD Set 4.2: A 32 TYR OH : rot -15:sc= 0.394 USER MOD Single : A 1 ALA N :NH3+ -113:sc= 0.121 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 8 THR OG1 : rot 180:sc= -6.75! USER MOD Single : A 10 SER OG : rot 180:sc= 0.0091 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 102:sc= 1.25 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -170:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 59:sc= -0.222 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0862 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0145 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0719 K(o=-0.072,f=-1.6!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -8.47! C(o=-8.5!,f=-7.7!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.030 14.194 -6.324 1.00 0.00 N ATOM 2 CA ALA A 1 1.407 14.396 -5.923 1.00 0.00 C ATOM 3 C ALA A 1 1.890 13.200 -5.115 1.00 0.00 C ATOM 4 O ALA A 1 1.082 12.446 -4.577 1.00 0.00 O ATOM 5 CB ALA A 1 1.515 15.680 -5.106 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.018 14.085 -7.357 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.342 13.337 -5.868 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.540 15.015 -6.036 1.00 0.00 H new ATOM 0 HA ALA A 1 2.037 14.490 -6.807 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.551 15.833 -4.804 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.185 16.525 -5.711 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.886 15.601 -4.219 1.00 0.00 H new ATOM 11 N ALA A 2 3.211 13.028 -5.031 1.00 0.00 N ATOM 12 CA ALA A 2 3.793 11.926 -4.292 1.00 0.00 C ATOM 13 C ALA A 2 5.120 12.357 -3.684 1.00 0.00 C ATOM 14 O ALA A 2 6.041 12.735 -4.404 1.00 0.00 O ATOM 15 CB ALA A 2 3.987 10.735 -5.226 1.00 0.00 C ATOM 0 H ALA A 2 3.893 13.646 -5.471 1.00 0.00 H new ATOM 0 HA ALA A 2 3.124 11.631 -3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.425 9.905 -4.671 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.023 10.431 -5.633 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.652 11.017 -6.042 1.00 0.00 H new ATOM 21 N PRO A 3 5.215 12.299 -2.353 1.00 0.00 N ATOM 22 CA PRO A 3 6.396 12.668 -1.603 1.00 0.00 C ATOM 23 C PRO A 3 7.474 11.610 -1.796 1.00 0.00 C ATOM 24 O PRO A 3 7.273 10.643 -2.528 1.00 0.00 O ATOM 25 CB PRO A 3 5.936 12.720 -0.148 1.00 0.00 C ATOM 26 CG PRO A 3 4.812 11.685 -0.111 1.00 0.00 C ATOM 27 CD PRO A 3 4.151 11.860 -1.476 1.00 0.00 C ATOM 0 HA PRO A 3 6.821 13.619 -1.923 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.742 12.466 0.540 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.581 13.713 0.129 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.196 10.674 0.026 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.114 11.874 0.704 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.712 10.925 -1.825 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.346 12.594 -1.434 1.00 0.00 H new ATOM 35 N THR A 4 8.621 11.796 -1.139 1.00 0.00 N ATOM 36 CA THR A 4 9.719 10.857 -1.245 1.00 0.00 C ATOM 37 C THR A 4 9.715 9.916 -0.049 1.00 0.00 C ATOM 38 O THR A 4 10.027 10.325 1.067 1.00 0.00 O ATOM 39 CB THR A 4 11.036 11.624 -1.325 1.00 0.00 C ATOM 40 OG1 THR A 4 11.274 12.012 -2.660 1.00 0.00 O ATOM 41 CG2 THR A 4 12.176 10.730 -0.845 1.00 0.00 C ATOM 0 H THR A 4 8.805 12.593 -0.529 1.00 0.00 H new ATOM 0 HA THR A 4 9.604 10.260 -2.150 1.00 0.00 H new ATOM 0 HB THR A 4 10.979 12.510 -0.693 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.119 12.506 -2.711 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.117 11.278 -0.902 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.993 10.430 0.187 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.234 9.843 -1.476 1.00 0.00 H new ATOM 49 N ALA A 5 9.361 8.651 -0.286 1.00 0.00 N ATOM 50 CA ALA A 5 9.317 7.659 0.770 1.00 0.00 C ATOM 51 C ALA A 5 10.229 6.493 0.419 1.00 0.00 C ATOM 52 O ALA A 5 10.443 6.200 -0.755 1.00 0.00 O ATOM 53 CB ALA A 5 7.879 7.184 0.960 1.00 0.00 C ATOM 0 H ALA A 5 9.101 8.297 -1.206 1.00 0.00 H new ATOM 0 HA ALA A 5 9.666 8.099 1.704 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.844 6.438 1.754 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.249 8.031 1.230 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.516 6.743 0.032 1.00 0.00 H new ATOM 59 N THR A 6 10.769 5.826 1.442 1.00 0.00 N ATOM 60 CA THR A 6 11.653 4.697 1.232 1.00 0.00 C ATOM 61 C THR A 6 11.026 3.433 1.804 1.00 0.00 C ATOM 62 O THR A 6 10.811 3.334 3.010 1.00 0.00 O ATOM 63 CB THR A 6 13.000 4.978 1.893 1.00 0.00 C ATOM 64 OG1 THR A 6 12.794 5.672 3.103 1.00 0.00 O ATOM 65 CG2 THR A 6 13.858 5.827 0.959 1.00 0.00 C ATOM 0 H THR A 6 10.604 6.055 2.422 1.00 0.00 H new ATOM 0 HA THR A 6 11.809 4.548 0.164 1.00 0.00 H new ATOM 0 HB THR A 6 13.508 4.036 2.097 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.658 5.851 3.529 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.820 6.028 1.431 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.017 5.291 0.024 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.350 6.770 0.755 1.00 0.00 H new ATOM 73 N VAL A 7 10.732 2.466 0.932 1.00 0.00 N ATOM 74 CA VAL A 7 10.132 1.215 1.351 1.00 0.00 C ATOM 75 C VAL A 7 11.166 0.100 1.284 1.00 0.00 C ATOM 76 O VAL A 7 12.064 0.134 0.446 1.00 0.00 O ATOM 77 CB VAL A 7 8.937 0.900 0.456 1.00 0.00 C ATOM 78 CG1 VAL A 7 9.230 -0.357 -0.360 1.00 0.00 C ATOM 79 CG2 VAL A 7 7.701 0.669 1.320 1.00 0.00 C ATOM 0 H VAL A 7 10.904 2.534 -0.071 1.00 0.00 H new ATOM 0 HA VAL A 7 9.785 1.300 2.381 1.00 0.00 H new ATOM 0 HB VAL A 7 8.757 1.737 -0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.377 -0.583 -1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.113 -0.192 -0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.410 -1.195 0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.847 0.444 0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.880 -0.168 1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.492 1.566 1.903 1.00 0.00 H new ATOM 89 N THR A 8 11.037 -0.890 2.170 1.00 0.00 N ATOM 90 CA THR A 8 11.960 -2.007 2.202 1.00 0.00 C ATOM 91 C THR A 8 11.830 -2.824 0.925 1.00 0.00 C ATOM 92 O THR A 8 11.019 -2.505 0.059 1.00 0.00 O ATOM 93 CB THR A 8 11.672 -2.869 3.428 1.00 0.00 C ATOM 94 OG1 THR A 8 12.886 -3.349 3.960 1.00 0.00 O ATOM 95 CG2 THR A 8 10.791 -4.048 3.025 1.00 0.00 C ATOM 0 H THR A 8 10.299 -0.933 2.872 1.00 0.00 H new ATOM 0 HA THR A 8 12.983 -1.635 2.267 1.00 0.00 H new ATOM 0 HB THR A 8 11.157 -2.271 4.180 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.702 -3.901 4.748 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.585 -4.664 3.900 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.852 -3.677 2.613 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.305 -4.646 2.273 1.00 0.00 H new ATOM 103 N PRO A 9 12.634 -3.884 0.810 1.00 0.00 N ATOM 104 CA PRO A 9 12.649 -4.777 -0.329 1.00 0.00 C ATOM 105 C PRO A 9 11.396 -5.640 -0.319 1.00 0.00 C ATOM 106 O PRO A 9 11.203 -6.447 0.587 1.00 0.00 O ATOM 107 CB PRO A 9 13.903 -5.629 -0.142 1.00 0.00 C ATOM 108 CG PRO A 9 14.051 -5.683 1.378 1.00 0.00 C ATOM 109 CD PRO A 9 13.600 -4.289 1.808 1.00 0.00 C ATOM 0 HA PRO A 9 12.663 -4.248 -1.282 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.785 -6.623 -0.573 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.774 -5.177 -0.618 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.430 -6.463 1.818 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.079 -5.887 1.678 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.155 -4.307 2.803 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.441 -3.597 1.847 1.00 0.00 H new ATOM 117 N SER A 10 10.541 -5.466 -1.329 1.00 0.00 N ATOM 118 CA SER A 10 9.313 -6.228 -1.430 1.00 0.00 C ATOM 119 C SER A 10 9.384 -7.167 -2.625 1.00 0.00 C ATOM 120 O SER A 10 8.380 -7.399 -3.296 1.00 0.00 O ATOM 121 CB SER A 10 8.131 -5.271 -1.563 1.00 0.00 C ATOM 122 OG SER A 10 8.477 -4.216 -2.432 1.00 0.00 O ATOM 0 H SER A 10 10.685 -4.799 -2.087 1.00 0.00 H new ATOM 0 HA SER A 10 9.178 -6.828 -0.530 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.260 -5.802 -1.947 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.857 -4.876 -0.585 1.00 0.00 H new ATOM 0 HG SER A 10 7.718 -3.602 -2.519 1.00 0.00 H new ATOM 128 N SER A 11 10.575 -7.709 -2.891 1.00 0.00 N ATOM 129 CA SER A 11 10.768 -8.621 -4.000 1.00 0.00 C ATOM 130 C SER A 11 11.254 -9.968 -3.484 1.00 0.00 C ATOM 131 O SER A 11 12.406 -10.100 -3.077 1.00 0.00 O ATOM 132 CB SER A 11 11.775 -8.022 -4.979 1.00 0.00 C ATOM 133 OG SER A 11 11.667 -6.616 -4.962 1.00 0.00 O ATOM 0 H SER A 11 11.418 -7.526 -2.346 1.00 0.00 H new ATOM 0 HA SER A 11 9.822 -8.774 -4.519 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.787 -8.323 -4.707 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.590 -8.400 -5.985 1.00 0.00 H new ATOM 0 HG SER A 11 12.314 -6.231 -5.589 1.00 0.00 H new ATOM 139 N GLY A 12 10.372 -10.970 -3.502 1.00 0.00 N ATOM 140 CA GLY A 12 10.720 -12.298 -3.037 1.00 0.00 C ATOM 141 C GLY A 12 10.340 -12.459 -1.572 1.00 0.00 C ATOM 142 O GLY A 12 10.992 -13.197 -0.836 1.00 0.00 O ATOM 0 H GLY A 12 9.412 -10.878 -3.836 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.206 -13.048 -3.638 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.789 -12.467 -3.163 1.00 0.00 H new ATOM 146 N LEU A 13 9.281 -11.766 -1.148 1.00 0.00 N ATOM 147 CA LEU A 13 8.820 -11.834 0.224 1.00 0.00 C ATOM 148 C LEU A 13 7.609 -12.752 0.317 1.00 0.00 C ATOM 149 O LEU A 13 6.670 -12.626 -0.467 1.00 0.00 O ATOM 150 CB LEU A 13 8.473 -10.431 0.714 1.00 0.00 C ATOM 151 CG LEU A 13 9.529 -9.446 0.222 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.747 -8.364 1.276 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.840 -10.186 -0.026 1.00 0.00 C ATOM 0 H LEU A 13 8.729 -11.150 -1.746 1.00 0.00 H new ATOM 0 HA LEU A 13 9.609 -12.241 0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.489 -10.139 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.425 -10.416 1.803 1.00 0.00 H new ATOM 0 HG LEU A 13 9.191 -8.986 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.502 -7.660 0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.811 -7.834 1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.084 -8.824 2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.594 -9.482 -0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.179 -10.647 0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.685 -10.958 -0.780 1.00 0.00 H new ATOM 165 N SER A 14 7.632 -13.677 1.279 1.00 0.00 N ATOM 166 CA SER A 14 6.538 -14.608 1.469 1.00 0.00 C ATOM 167 C SER A 14 5.648 -14.134 2.610 1.00 0.00 C ATOM 168 O SER A 14 6.050 -13.284 3.402 1.00 0.00 O ATOM 169 CB SER A 14 7.098 -15.997 1.761 1.00 0.00 C ATOM 170 OG SER A 14 6.074 -16.956 1.617 1.00 0.00 O ATOM 0 H SER A 14 8.403 -13.795 1.936 1.00 0.00 H new ATOM 0 HA SER A 14 5.936 -14.657 0.562 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.919 -16.221 1.080 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.504 -16.032 2.772 1.00 0.00 H new ATOM 0 HG SER A 14 6.433 -17.849 1.803 1.00 0.00 H new ATOM 176 N ASP A 15 4.436 -14.687 2.692 1.00 0.00 N ATOM 177 CA ASP A 15 3.497 -14.319 3.733 1.00 0.00 C ATOM 178 C ASP A 15 4.202 -14.312 5.083 1.00 0.00 C ATOM 179 O ASP A 15 5.023 -15.183 5.360 1.00 0.00 O ATOM 180 CB ASP A 15 2.331 -15.303 3.737 1.00 0.00 C ATOM 181 CG ASP A 15 2.690 -16.569 4.500 1.00 0.00 C ATOM 182 OD1 ASP A 15 3.535 -17.327 3.976 1.00 0.00 O ATOM 183 OD2 ASP A 15 2.114 -16.756 5.593 1.00 0.00 O ATOM 0 H ASP A 15 4.089 -15.393 2.043 1.00 0.00 H new ATOM 0 HA ASP A 15 3.109 -13.318 3.542 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.457 -14.836 4.191 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.060 -15.556 2.712 1.00 0.00 H new ATOM 188 N GLY A 16 3.879 -13.327 5.924 1.00 0.00 N ATOM 189 CA GLY A 16 4.485 -13.217 7.236 1.00 0.00 C ATOM 190 C GLY A 16 5.539 -12.119 7.240 1.00 0.00 C ATOM 191 O GLY A 16 5.879 -11.585 8.294 1.00 0.00 O ATOM 0 H GLY A 16 3.199 -12.597 5.712 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.720 -12.999 7.981 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.939 -14.168 7.515 1.00 0.00 H new ATOM 195 N THR A 17 6.058 -11.783 6.057 1.00 0.00 N ATOM 196 CA THR A 17 7.069 -10.752 5.935 1.00 0.00 C ATOM 197 C THR A 17 6.445 -9.384 6.166 1.00 0.00 C ATOM 198 O THR A 17 5.271 -9.175 5.868 1.00 0.00 O ATOM 199 CB THR A 17 7.706 -10.828 4.550 1.00 0.00 C ATOM 200 OG1 THR A 17 8.178 -12.137 4.321 1.00 0.00 O ATOM 201 CG2 THR A 17 8.872 -9.846 4.472 1.00 0.00 C ATOM 0 H THR A 17 5.789 -12.216 5.173 1.00 0.00 H new ATOM 0 HA THR A 17 7.843 -10.907 6.687 1.00 0.00 H new ATOM 0 HB THR A 17 6.964 -10.572 3.794 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.550 -12.614 3.739 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.327 -9.900 3.483 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.508 -8.834 4.649 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.615 -10.102 5.228 1.00 0.00 H new ATOM 209 N VAL A 18 7.235 -8.449 6.700 1.00 0.00 N ATOM 210 CA VAL A 18 6.759 -7.107 6.969 1.00 0.00 C ATOM 211 C VAL A 18 7.686 -6.092 6.317 1.00 0.00 C ATOM 212 O VAL A 18 8.861 -6.008 6.665 1.00 0.00 O ATOM 213 CB VAL A 18 6.689 -6.886 8.477 1.00 0.00 C ATOM 214 CG1 VAL A 18 8.103 -6.821 9.048 1.00 0.00 C ATOM 215 CG2 VAL A 18 5.964 -5.574 8.765 1.00 0.00 C ATOM 0 H VAL A 18 8.211 -8.607 6.953 1.00 0.00 H new ATOM 0 HA VAL A 18 5.761 -6.979 6.550 1.00 0.00 H new ATOM 0 HB VAL A 18 6.147 -7.711 8.940 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.053 -6.663 10.125 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.622 -7.757 8.842 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.645 -5.996 8.585 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.913 -5.415 9.842 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.506 -4.750 8.302 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.954 -5.619 8.357 1.00 0.00 H new ATOM 225 N VAL A 19 7.153 -5.319 5.367 1.00 0.00 N ATOM 226 CA VAL A 19 7.933 -4.314 4.672 1.00 0.00 C ATOM 227 C VAL A 19 7.962 -3.030 5.488 1.00 0.00 C ATOM 228 O VAL A 19 7.172 -2.863 6.415 1.00 0.00 O ATOM 229 CB VAL A 19 7.328 -4.066 3.294 1.00 0.00 C ATOM 230 CG1 VAL A 19 7.413 -5.343 2.463 1.00 0.00 C ATOM 231 CG2 VAL A 19 5.866 -3.655 3.447 1.00 0.00 C ATOM 0 H VAL A 19 6.180 -5.377 5.067 1.00 0.00 H new ATOM 0 HA VAL A 19 8.957 -4.664 4.546 1.00 0.00 H new ATOM 0 HB VAL A 19 7.879 -3.270 2.793 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.981 -5.166 1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.457 -5.637 2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.862 -6.140 2.963 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.433 -3.478 2.463 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.315 -4.451 3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.805 -2.743 4.040 1.00 0.00 H new ATOM 241 N LYS A 20 8.876 -2.120 5.141 1.00 0.00 N ATOM 242 CA LYS A 20 9.001 -0.858 5.842 1.00 0.00 C ATOM 243 C LYS A 20 8.739 0.295 4.884 1.00 0.00 C ATOM 244 O LYS A 20 9.243 0.300 3.763 1.00 0.00 O ATOM 245 CB LYS A 20 10.397 -0.751 6.449 1.00 0.00 C ATOM 246 CG LYS A 20 10.288 -0.284 7.897 1.00 0.00 C ATOM 247 CD LYS A 20 10.465 1.230 7.960 1.00 0.00 C ATOM 248 CE LYS A 20 11.949 1.564 8.080 1.00 0.00 C ATOM 249 NZ LYS A 20 12.348 1.695 9.490 1.00 0.00 N ATOM 0 H LYS A 20 9.538 -2.243 4.375 1.00 0.00 H new ATOM 0 HA LYS A 20 8.265 -0.810 6.644 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.900 -1.717 6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.002 -0.050 5.874 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.318 -0.565 8.308 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.047 -0.775 8.506 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.048 1.693 7.066 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.920 1.635 8.812 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.541 0.783 7.602 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.160 2.493 7.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.361 1.922 9.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.798 2.456 9.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.167 0.799 9.987 1.00 0.00 H new ATOM 263 N VAL A 21 7.948 1.274 5.329 1.00 0.00 N ATOM 264 CA VAL A 21 7.623 2.426 4.512 1.00 0.00 C ATOM 265 C VAL A 21 8.002 3.703 5.248 1.00 0.00 C ATOM 266 O VAL A 21 7.501 3.964 6.339 1.00 0.00 O ATOM 267 CB VAL A 21 6.133 2.412 4.185 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.333 2.762 5.436 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.843 3.437 3.092 1.00 0.00 C ATOM 0 H VAL A 21 7.523 1.284 6.256 1.00 0.00 H new ATOM 0 HA VAL A 21 8.186 2.387 3.580 1.00 0.00 H new ATOM 0 HB VAL A 21 5.847 1.419 3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.269 2.752 5.202 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.540 2.030 6.217 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.618 3.755 5.785 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.779 3.428 2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.130 4.430 3.439 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.414 3.187 2.198 1.00 0.00 H new ATOM 279 N ALA A 22 8.890 4.499 4.648 1.00 0.00 N ATOM 280 CA ALA A 22 9.331 5.741 5.248 1.00 0.00 C ATOM 281 C ALA A 22 9.132 6.887 4.267 1.00 0.00 C ATOM 282 O ALA A 22 9.734 6.900 3.195 1.00 0.00 O ATOM 283 CB ALA A 22 10.799 5.619 5.647 1.00 0.00 C ATOM 0 H ALA A 22 9.314 4.296 3.743 1.00 0.00 H new ATOM 0 HA ALA A 22 8.741 5.948 6.141 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.132 6.553 6.099 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.915 4.807 6.365 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.400 5.409 4.762 1.00 0.00 H new ATOM 289 N GLY A 23 8.285 7.852 4.634 1.00 0.00 N ATOM 290 CA GLY A 23 8.016 8.993 3.782 1.00 0.00 C ATOM 291 C GLY A 23 8.936 10.150 4.142 1.00 0.00 C ATOM 292 O GLY A 23 9.198 10.396 5.318 1.00 0.00 O ATOM 0 H GLY A 23 7.777 7.858 5.519 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.159 8.717 2.737 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.976 9.299 3.891 1.00 0.00 H new ATOM 296 N ALA A 24 9.428 10.862 3.126 1.00 0.00 N ATOM 297 CA ALA A 24 10.317 11.986 3.339 1.00 0.00 C ATOM 298 C ALA A 24 9.957 13.115 2.384 1.00 0.00 C ATOM 299 O ALA A 24 10.065 12.961 1.169 1.00 0.00 O ATOM 300 CB ALA A 24 11.761 11.540 3.129 1.00 0.00 C ATOM 0 H ALA A 24 9.219 10.672 2.146 1.00 0.00 H new ATOM 0 HA ALA A 24 10.209 12.351 4.360 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.430 12.386 3.289 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.003 10.747 3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.883 11.169 2.111 1.00 0.00 H new ATOM 306 N GLY A 25 9.529 14.254 2.934 1.00 0.00 N ATOM 307 CA GLY A 25 9.157 15.397 2.126 1.00 0.00 C ATOM 308 C GLY A 25 7.645 15.457 1.960 1.00 0.00 C ATOM 309 O GLY A 25 7.144 16.094 1.036 1.00 0.00 O ATOM 0 H GLY A 25 9.435 14.400 3.939 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.515 16.314 2.594 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.635 15.331 1.148 1.00 0.00 H new ATOM 313 N LEU A 26 6.918 14.791 2.860 1.00 0.00 N ATOM 314 CA LEU A 26 5.470 14.771 2.811 1.00 0.00 C ATOM 315 C LEU A 26 4.909 15.937 3.611 1.00 0.00 C ATOM 316 O LEU A 26 5.664 16.752 4.137 1.00 0.00 O ATOM 317 CB LEU A 26 4.961 13.442 3.362 1.00 0.00 C ATOM 318 CG LEU A 26 6.084 12.411 3.321 1.00 0.00 C ATOM 319 CD1 LEU A 26 6.845 12.432 4.643 1.00 0.00 C ATOM 320 CD2 LEU A 26 5.492 11.022 3.096 1.00 0.00 C ATOM 0 H LEU A 26 7.319 14.258 3.632 1.00 0.00 H new ATOM 0 HA LEU A 26 5.137 14.873 1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.609 13.571 4.385 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.112 13.094 2.774 1.00 0.00 H new ATOM 0 HG LEU A 26 6.767 12.651 2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.647 11.695 4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.269 13.423 4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.163 12.193 5.459 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.294 10.285 3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.808 10.782 3.910 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.950 11.006 2.150 1.00 0.00 H new ATOM 332 N GLN A 27 3.580 16.016 3.703 1.00 0.00 N ATOM 333 CA GLN A 27 2.927 17.081 4.438 1.00 0.00 C ATOM 334 C GLN A 27 3.178 16.910 5.929 1.00 0.00 C ATOM 335 O GLN A 27 2.845 15.875 6.502 1.00 0.00 O ATOM 336 CB GLN A 27 1.431 17.062 4.136 1.00 0.00 C ATOM 337 CG GLN A 27 1.187 17.609 2.733 1.00 0.00 C ATOM 338 CD GLN A 27 -0.251 17.364 2.297 1.00 0.00 C ATOM 339 OE1 GLN A 27 -0.974 18.306 1.978 1.00 0.00 O ATOM 340 NE2 GLN A 27 -0.664 16.095 2.285 1.00 0.00 N ATOM 0 H GLN A 27 2.940 15.348 3.273 1.00 0.00 H new ATOM 0 HA GLN A 27 3.335 18.044 4.130 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.047 16.045 4.213 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.894 17.662 4.870 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.400 18.678 2.713 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.871 17.134 2.029 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.025 15.348 2.559 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.618 15.872 2.002 1.00 0.00 H new ATOM 349 N ALA A 28 3.768 17.930 6.557 1.00 0.00 N ATOM 350 CA ALA A 28 4.061 17.888 7.976 1.00 0.00 C ATOM 351 C ALA A 28 2.771 18.019 8.773 1.00 0.00 C ATOM 352 O ALA A 28 1.975 18.922 8.525 1.00 0.00 O ATOM 353 CB ALA A 28 5.031 19.012 8.327 1.00 0.00 C ATOM 0 H ALA A 28 4.050 18.795 6.095 1.00 0.00 H new ATOM 0 HA ALA A 28 4.524 16.934 8.228 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.252 18.982 9.394 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.954 18.886 7.761 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.581 19.973 8.077 1.00 0.00 H new ATOM 359 N GLY A 29 2.565 17.115 9.734 1.00 0.00 N ATOM 360 CA GLY A 29 1.373 17.139 10.558 1.00 0.00 C ATOM 361 C GLY A 29 0.187 16.580 9.785 1.00 0.00 C ATOM 362 O GLY A 29 -0.949 16.650 10.250 1.00 0.00 O ATOM 0 H GLY A 29 3.214 16.360 9.954 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.536 16.553 11.462 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.161 18.160 10.874 1.00 0.00 H new ATOM 366 N THR A 30 0.452 16.025 8.600 1.00 0.00 N ATOM 367 CA THR A 30 -0.595 15.459 7.774 1.00 0.00 C ATOM 368 C THR A 30 -0.694 13.959 8.016 1.00 0.00 C ATOM 369 O THR A 30 0.322 13.274 8.105 1.00 0.00 O ATOM 370 CB THR A 30 -0.296 15.750 6.306 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.270 16.632 5.794 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.324 14.447 5.512 1.00 0.00 C ATOM 0 H THR A 30 1.387 15.960 8.198 1.00 0.00 H new ATOM 0 HA THR A 30 -1.552 15.912 8.035 1.00 0.00 H new ATOM 0 HB THR A 30 0.690 16.207 6.220 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.174 16.696 4.821 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.110 14.655 4.464 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.428 13.764 5.907 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.310 13.990 5.598 1.00 0.00 H new ATOM 380 N ALA A 31 -1.924 13.451 8.123 1.00 0.00 N ATOM 381 CA ALA A 31 -2.150 12.039 8.355 1.00 0.00 C ATOM 382 C ALA A 31 -2.125 11.289 7.031 1.00 0.00 C ATOM 383 O ALA A 31 -2.468 11.848 5.992 1.00 0.00 O ATOM 384 CB ALA A 31 -3.491 11.849 9.059 1.00 0.00 C ATOM 0 H ALA A 31 -2.776 14.007 8.051 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.360 11.639 8.991 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.663 10.787 9.234 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.479 12.377 10.013 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.290 12.247 8.434 1.00 0.00 H new ATOM 390 N TYR A 32 -1.717 10.018 7.070 1.00 0.00 N ATOM 391 CA TYR A 32 -1.648 9.202 5.875 1.00 0.00 C ATOM 392 C TYR A 32 -2.203 7.814 6.164 1.00 0.00 C ATOM 393 O TYR A 32 -2.062 7.307 7.275 1.00 0.00 O ATOM 394 CB TYR A 32 -0.200 9.117 5.401 1.00 0.00 C ATOM 395 CG TYR A 32 0.282 10.370 4.710 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.323 10.790 3.519 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.334 11.112 5.259 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.124 11.951 2.878 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.782 12.274 4.618 1.00 0.00 C ATOM 400 CZ TYR A 32 1.177 12.693 3.427 1.00 0.00 C ATOM 401 OH TYR A 32 1.613 13.824 2.802 1.00 0.00 O ATOM 0 H TYR A 32 -1.430 9.539 7.924 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.249 9.655 5.086 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.443 8.914 6.257 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.098 8.273 4.719 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.135 10.218 3.095 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.801 10.788 6.178 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.343 12.275 1.960 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.594 12.846 5.042 1.00 0.00 H new ATOM 0 HH TYR A 32 1.265 13.846 1.886 1.00 0.00 H new ATOM 411 N ASP A 33 -2.835 7.201 5.161 1.00 0.00 N ATOM 412 CA ASP A 33 -3.407 5.878 5.314 1.00 0.00 C ATOM 413 C ASP A 33 -2.630 4.881 4.468 1.00 0.00 C ATOM 414 O ASP A 33 -2.647 4.958 3.241 1.00 0.00 O ATOM 415 CB ASP A 33 -4.876 5.910 4.900 1.00 0.00 C ATOM 416 CG ASP A 33 -5.767 6.263 6.082 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.656 5.556 7.108 1.00 0.00 O ATOM 418 OD2 ASP A 33 -6.541 7.233 5.939 1.00 0.00 O ATOM 0 H ASP A 33 -2.960 7.608 4.234 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.343 5.567 6.357 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.017 6.640 4.103 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.166 4.939 4.498 1.00 0.00 H new ATOM 423 N VAL A 34 -1.946 3.942 5.126 1.00 0.00 N ATOM 424 CA VAL A 34 -1.167 2.935 4.434 1.00 0.00 C ATOM 425 C VAL A 34 -1.950 1.632 4.369 1.00 0.00 C ATOM 426 O VAL A 34 -2.656 1.283 5.312 1.00 0.00 O ATOM 427 CB VAL A 34 0.161 2.734 5.158 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.221 2.275 4.160 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.598 4.050 5.795 1.00 0.00 C ATOM 0 H VAL A 34 -1.922 3.866 6.143 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.963 3.264 3.415 1.00 0.00 H new ATOM 0 HB VAL A 34 0.041 1.978 5.933 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.170 2.131 4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.910 1.335 3.705 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.342 3.031 3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.547 3.907 6.312 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.718 4.807 5.020 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.158 4.378 6.508 1.00 0.00 H new ATOM 439 N GLY A 35 -1.824 0.911 3.253 1.00 0.00 N ATOM 440 CA GLY A 35 -2.521 -0.347 3.077 1.00 0.00 C ATOM 441 C GLY A 35 -1.980 -1.084 1.859 1.00 0.00 C ATOM 442 O GLY A 35 -1.279 -0.499 1.037 1.00 0.00 O ATOM 0 H GLY A 35 -1.243 1.185 2.461 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.401 -0.965 3.967 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.589 -0.165 2.956 1.00 0.00 H new ATOM 446 N GLN A 36 -2.307 -2.374 1.747 1.00 0.00 N ATOM 447 CA GLN A 36 -1.853 -3.183 0.634 1.00 0.00 C ATOM 448 C GLN A 36 -3.033 -3.546 -0.257 1.00 0.00 C ATOM 449 O GLN A 36 -3.919 -4.291 0.156 1.00 0.00 O ATOM 450 CB GLN A 36 -1.170 -4.440 1.166 1.00 0.00 C ATOM 451 CG GLN A 36 -1.243 -5.543 0.115 1.00 0.00 C ATOM 452 CD GLN A 36 -0.714 -6.858 0.670 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.325 -7.450 1.557 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.426 -7.313 0.145 1.00 0.00 N ATOM 0 H GLN A 36 -2.887 -2.874 2.421 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.135 -2.619 0.039 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.130 -4.225 1.411 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.654 -4.768 2.086 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.275 -5.671 -0.213 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.663 -5.254 -0.762 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.896 -6.784 -0.590 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.827 -8.189 0.479 1.00 0.00 H new ATOM 463 N CYS A 37 -3.042 -3.017 -1.482 1.00 0.00 N ATOM 464 CA CYS A 37 -4.110 -3.286 -2.424 1.00 0.00 C ATOM 465 C CYS A 37 -3.582 -4.139 -3.570 1.00 0.00 C ATOM 466 O CYS A 37 -2.430 -3.997 -3.972 1.00 0.00 O ATOM 467 CB CYS A 37 -4.672 -1.967 -2.946 1.00 0.00 C ATOM 468 SG CYS A 37 -5.270 -0.858 -1.647 1.00 0.00 S ATOM 0 H CYS A 37 -2.314 -2.398 -1.838 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.910 -3.834 -1.927 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.899 -1.455 -3.519 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.490 -2.179 -3.634 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.443 -0.401 -1.972 1.00 0.00 H new ATOM 473 N ALA A 38 -4.430 -5.027 -4.095 1.00 0.00 N ATOM 474 CA ALA A 38 -4.046 -5.896 -5.188 1.00 0.00 C ATOM 475 C ALA A 38 -5.000 -5.705 -6.359 1.00 0.00 C ATOM 476 O ALA A 38 -6.215 -5.776 -6.190 1.00 0.00 O ATOM 477 CB ALA A 38 -4.059 -7.346 -4.712 1.00 0.00 C ATOM 0 H ALA A 38 -5.389 -5.156 -3.773 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.039 -5.645 -5.521 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.770 -8.001 -5.534 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.355 -7.465 -3.888 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.061 -7.609 -4.373 1.00 0.00 H new ATOM 483 N TRP A 39 -4.447 -5.461 -7.549 1.00 0.00 N ATOM 484 CA TRP A 39 -5.253 -5.263 -8.737 1.00 0.00 C ATOM 485 C TRP A 39 -5.986 -6.550 -9.086 1.00 0.00 C ATOM 486 O TRP A 39 -5.359 -7.580 -9.324 1.00 0.00 O ATOM 487 CB TRP A 39 -4.357 -4.820 -9.890 1.00 0.00 C ATOM 488 CG TRP A 39 -4.773 -5.319 -11.237 1.00 0.00 C ATOM 489 CD1 TRP A 39 -6.046 -5.547 -11.626 1.00 0.00 C ATOM 490 CD2 TRP A 39 -3.938 -5.659 -12.386 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.056 -6.001 -12.928 1.00 0.00 N ATOM 492 CE2 TRP A 39 -4.780 -6.090 -13.446 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.555 -5.649 -12.640 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.281 -6.488 -14.689 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.043 -6.046 -13.884 1.00 0.00 C ATOM 496 CH2 TRP A 39 -2.900 -6.465 -14.908 1.00 0.00 C ATOM 0 H TRP A 39 -3.441 -5.397 -7.707 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.995 -4.487 -8.552 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.332 -3.731 -9.914 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.340 -5.158 -9.691 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.922 -5.397 -11.012 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -6.902 -6.241 -13.444 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.875 -5.330 -11.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -4.953 -6.809 -15.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -0.977 -6.028 -14.053 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.497 -6.769 -15.863 1.00 0.00 H new ATOM 507 N VAL A 40 -7.319 -6.489 -9.117 1.00 0.00 N ATOM 508 CA VAL A 40 -8.131 -7.646 -9.436 1.00 0.00 C ATOM 509 C VAL A 40 -8.564 -7.584 -10.894 1.00 0.00 C ATOM 510 O VAL A 40 -8.510 -8.587 -11.603 1.00 0.00 O ATOM 511 CB VAL A 40 -9.344 -7.686 -8.512 1.00 0.00 C ATOM 512 CG1 VAL A 40 -8.957 -8.343 -7.191 1.00 0.00 C ATOM 513 CG2 VAL A 40 -9.830 -6.264 -8.250 1.00 0.00 C ATOM 0 H VAL A 40 -7.853 -5.642 -8.923 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.550 -8.556 -9.288 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.141 -8.262 -8.983 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.824 -8.371 -6.531 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.610 -9.359 -7.378 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.160 -7.769 -6.719 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.697 -6.292 -7.590 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.033 -5.688 -7.779 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.108 -5.795 -9.194 1.00 0.00 H new ATOM 523 N ASP A 41 -8.995 -6.402 -11.341 1.00 0.00 N ATOM 524 CA ASP A 41 -9.435 -6.217 -12.709 1.00 0.00 C ATOM 525 C ASP A 41 -8.877 -4.912 -13.257 1.00 0.00 C ATOM 526 O ASP A 41 -8.235 -4.156 -12.531 1.00 0.00 O ATOM 527 CB ASP A 41 -10.960 -6.215 -12.756 1.00 0.00 C ATOM 528 CG ASP A 41 -11.540 -7.075 -11.642 1.00 0.00 C ATOM 529 OD1 ASP A 41 -10.929 -8.129 -11.363 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.583 -6.662 -11.090 1.00 0.00 O ATOM 0 H ASP A 41 -9.045 -5.561 -10.766 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.067 -7.035 -13.328 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.329 -5.194 -12.662 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.298 -6.588 -13.723 1.00 0.00 H new ATOM 535 N THR A 42 -9.121 -4.647 -14.543 1.00 0.00 N ATOM 536 CA THR A 42 -8.641 -3.436 -15.175 1.00 0.00 C ATOM 537 C THR A 42 -9.231 -2.218 -14.479 1.00 0.00 C ATOM 538 O THR A 42 -10.435 -1.982 -14.550 1.00 0.00 O ATOM 539 CB THR A 42 -9.021 -3.450 -16.653 1.00 0.00 C ATOM 540 OG1 THR A 42 -8.604 -2.245 -17.257 1.00 0.00 O ATOM 541 CG2 THR A 42 -10.534 -3.590 -16.789 1.00 0.00 C ATOM 0 H THR A 42 -9.650 -5.263 -15.160 1.00 0.00 H new ATOM 0 HA THR A 42 -7.555 -3.385 -15.091 1.00 0.00 H new ATOM 0 HB THR A 42 -8.533 -4.291 -17.145 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.846 -2.254 -18.207 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.805 -3.600 -17.845 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.857 -4.521 -16.323 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.023 -2.749 -16.297 1.00 0.00 H new ATOM 549 N GLY A 43 -8.379 -1.442 -13.804 1.00 0.00 N ATOM 550 CA GLY A 43 -8.824 -0.256 -13.101 1.00 0.00 C ATOM 551 C GLY A 43 -9.589 -0.644 -11.843 1.00 0.00 C ATOM 552 O GLY A 43 -10.180 0.210 -11.185 1.00 0.00 O ATOM 0 H GLY A 43 -7.377 -1.622 -13.735 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.966 0.362 -12.837 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.461 0.344 -13.752 1.00 0.00 H new ATOM 556 N VAL A 44 -9.578 -1.937 -11.511 1.00 0.00 N ATOM 557 CA VAL A 44 -10.268 -2.431 -10.338 1.00 0.00 C ATOM 558 C VAL A 44 -9.291 -3.179 -9.442 1.00 0.00 C ATOM 559 O VAL A 44 -8.820 -4.257 -9.798 1.00 0.00 O ATOM 560 CB VAL A 44 -11.413 -3.344 -10.769 1.00 0.00 C ATOM 561 CG1 VAL A 44 -12.393 -3.513 -9.612 1.00 0.00 C ATOM 562 CG2 VAL A 44 -12.136 -2.723 -11.961 1.00 0.00 C ATOM 0 H VAL A 44 -9.093 -2.657 -12.047 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.680 -1.594 -9.774 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.014 -4.318 -11.052 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.211 -4.165 -9.920 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.877 -3.956 -8.760 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.793 -2.539 -9.328 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.954 -3.374 -12.270 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.535 -1.749 -11.678 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.436 -2.602 -12.788 1.00 0.00 H new ATOM 572 N LEU A 45 -8.987 -2.603 -8.276 1.00 0.00 N ATOM 573 CA LEU A 45 -8.069 -3.216 -7.337 1.00 0.00 C ATOM 574 C LEU A 45 -8.732 -3.339 -5.972 1.00 0.00 C ATOM 575 O LEU A 45 -9.420 -2.422 -5.530 1.00 0.00 O ATOM 576 CB LEU A 45 -6.798 -2.376 -7.247 1.00 0.00 C ATOM 577 CG LEU A 45 -6.944 -1.352 -6.125 1.00 0.00 C ATOM 578 CD1 LEU A 45 -5.561 -0.899 -5.666 1.00 0.00 C ATOM 579 CD2 LEU A 45 -7.730 -0.148 -6.635 1.00 0.00 C ATOM 0 H LEU A 45 -9.370 -1.709 -7.967 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.805 -4.216 -7.682 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.938 -3.018 -7.058 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.616 -1.869 -8.195 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.475 -1.804 -5.287 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.665 -0.168 -4.865 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.999 -1.759 -5.302 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.030 -0.447 -6.503 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.835 0.584 -5.834 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.200 0.304 -7.473 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.718 -0.471 -6.963 1.00 0.00 H new ATOM 591 N ALA A 46 -8.522 -4.476 -5.305 1.00 0.00 N ATOM 592 CA ALA A 46 -9.099 -4.713 -3.998 1.00 0.00 C ATOM 593 C ALA A 46 -8.115 -4.293 -2.916 1.00 0.00 C ATOM 594 O ALA A 46 -6.909 -4.253 -3.153 1.00 0.00 O ATOM 595 CB ALA A 46 -9.456 -6.190 -3.860 1.00 0.00 C ATOM 0 H ALA A 46 -7.952 -5.245 -5.658 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.007 -4.121 -3.885 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.890 -6.369 -2.876 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.177 -6.464 -4.630 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.556 -6.794 -3.975 1.00 0.00 H new ATOM 601 N CYS A 47 -8.631 -3.979 -1.725 1.00 0.00 N ATOM 602 CA CYS A 47 -7.798 -3.564 -0.615 1.00 0.00 C ATOM 603 C CYS A 47 -7.920 -4.567 0.523 1.00 0.00 C ATOM 604 O CYS A 47 -8.958 -5.206 0.681 1.00 0.00 O ATOM 605 CB CYS A 47 -8.220 -2.171 -0.156 1.00 0.00 C ATOM 606 SG CYS A 47 -7.628 -0.834 -1.222 1.00 0.00 S ATOM 0 H CYS A 47 -9.628 -4.008 -1.513 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.755 -3.527 -0.931 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.308 -2.129 -0.109 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.850 -2.006 0.856 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.427 -0.491 -0.861 1.00 0.00 H new ATOM 611 N ASN A 48 -6.856 -4.705 1.317 1.00 0.00 N ATOM 612 CA ASN A 48 -6.851 -5.628 2.434 1.00 0.00 C ATOM 613 C ASN A 48 -6.762 -4.858 3.744 1.00 0.00 C ATOM 614 O ASN A 48 -5.710 -4.319 4.080 1.00 0.00 O ATOM 615 CB ASN A 48 -5.675 -6.590 2.292 1.00 0.00 C ATOM 616 CG ASN A 48 -5.410 -7.320 3.600 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.325 -7.528 4.394 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.153 -7.712 3.823 1.00 0.00 N ATOM 0 H ASN A 48 -5.988 -4.183 1.199 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.777 -6.203 2.438 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.884 -7.313 1.503 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.784 -6.039 1.991 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.918 -8.207 4.683 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.428 -7.516 3.133 1.00 0.00 H new ATOM 625 N PRO A 49 -7.872 -4.807 4.484 1.00 0.00 N ATOM 626 CA PRO A 49 -7.974 -4.125 5.756 1.00 0.00 C ATOM 627 C PRO A 49 -7.216 -4.908 6.818 1.00 0.00 C ATOM 628 O PRO A 49 -7.161 -4.497 7.975 1.00 0.00 O ATOM 629 CB PRO A 49 -9.469 -4.091 6.063 1.00 0.00 C ATOM 630 CG PRO A 49 -9.984 -5.357 5.380 1.00 0.00 C ATOM 631 CD PRO A 49 -9.126 -5.429 4.119 1.00 0.00 C ATOM 0 HA PRO A 49 -7.547 -3.122 5.735 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.662 -4.103 7.136 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -9.944 -3.195 5.664 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.855 -6.238 6.009 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.046 -5.287 5.144 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.977 -6.461 3.801 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.600 -4.905 3.289 1.00 0.00 H new ATOM 639 N ALA A 50 -6.631 -6.041 6.423 1.00 0.00 N ATOM 640 CA ALA A 50 -5.883 -6.876 7.340 1.00 0.00 C ATOM 641 C ALA A 50 -4.426 -6.438 7.366 1.00 0.00 C ATOM 642 O ALA A 50 -3.664 -6.860 8.233 1.00 0.00 O ATOM 643 CB ALA A 50 -6.001 -8.336 6.910 1.00 0.00 C ATOM 0 H ALA A 50 -6.667 -6.395 5.467 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.291 -6.773 8.346 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.438 -8.965 7.600 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.049 -8.635 6.920 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.600 -8.452 5.903 1.00 0.00 H new ATOM 649 N ASP A 51 -4.039 -5.588 6.411 1.00 0.00 N ATOM 650 CA ASP A 51 -2.678 -5.099 6.329 1.00 0.00 C ATOM 651 C ASP A 51 -2.683 -3.586 6.167 1.00 0.00 C ATOM 652 O ASP A 51 -1.745 -3.016 5.615 1.00 0.00 O ATOM 653 CB ASP A 51 -1.969 -5.767 5.154 1.00 0.00 C ATOM 654 CG ASP A 51 -1.607 -7.207 5.485 1.00 0.00 C ATOM 655 OD1 ASP A 51 -1.631 -7.536 6.691 1.00 0.00 O ATOM 656 OD2 ASP A 51 -1.313 -7.953 4.526 1.00 0.00 O ATOM 0 H ASP A 51 -4.659 -5.228 5.685 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.143 -5.344 7.246 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.612 -5.743 4.275 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.066 -5.209 4.904 1.00 0.00 H new ATOM 661 N PHE A 52 -3.744 -2.935 6.649 1.00 0.00 N ATOM 662 CA PHE A 52 -3.863 -1.494 6.555 1.00 0.00 C ATOM 663 C PHE A 52 -3.412 -0.851 7.859 1.00 0.00 C ATOM 664 O PHE A 52 -3.982 -1.118 8.914 1.00 0.00 O ATOM 665 CB PHE A 52 -5.310 -1.124 6.241 1.00 0.00 C ATOM 666 CG PHE A 52 -6.051 -0.537 7.418 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.606 0.656 8.001 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.182 -1.186 7.928 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.291 1.199 9.094 1.00 0.00 C ATOM 670 CE2 PHE A 52 -7.868 -0.642 9.021 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.422 0.550 9.604 1.00 0.00 C ATOM 0 H PHE A 52 -4.531 -3.393 7.108 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.224 -1.124 5.753 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.323 -0.408 5.420 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.838 -2.014 5.897 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.734 1.157 7.607 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.525 -2.106 7.479 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.947 2.119 9.544 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.741 -1.142 9.414 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.950 0.969 10.447 1.00 0.00 H new ATOM 681 N SER A 53 -2.385 -0.002 7.783 1.00 0.00 N ATOM 682 CA SER A 53 -1.866 0.674 8.956 1.00 0.00 C ATOM 683 C SER A 53 -2.119 2.171 8.844 1.00 0.00 C ATOM 684 O SER A 53 -2.732 2.629 7.882 1.00 0.00 O ATOM 685 CB SER A 53 -0.373 0.386 9.088 1.00 0.00 C ATOM 686 OG SER A 53 0.111 0.959 10.282 1.00 0.00 O ATOM 0 H SER A 53 -1.901 0.229 6.916 1.00 0.00 H new ATOM 0 HA SER A 53 -2.374 0.306 9.847 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.198 -0.690 9.091 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.164 0.794 8.232 1.00 0.00 H new ATOM 0 HG SER A 53 1.069 0.774 10.369 1.00 0.00 H new ATOM 692 N SER A 54 -1.645 2.933 9.832 1.00 0.00 N ATOM 693 CA SER A 54 -1.821 4.371 9.838 1.00 0.00 C ATOM 694 C SER A 54 -0.620 5.035 10.498 1.00 0.00 C ATOM 695 O SER A 54 0.080 4.410 11.291 1.00 0.00 O ATOM 696 CB SER A 54 -3.108 4.723 10.578 1.00 0.00 C ATOM 697 OG SER A 54 -3.030 4.252 11.906 1.00 0.00 O ATOM 0 H SER A 54 -1.136 2.568 10.637 1.00 0.00 H new ATOM 0 HA SER A 54 -1.896 4.736 8.814 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.260 5.802 10.572 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.965 4.277 10.072 1.00 0.00 H new ATOM 0 HG SER A 54 -3.856 4.479 12.383 1.00 0.00 H new ATOM 703 N VAL A 55 -0.385 6.308 10.170 1.00 0.00 N ATOM 704 CA VAL A 55 0.725 7.050 10.731 1.00 0.00 C ATOM 705 C VAL A 55 0.555 8.533 10.435 1.00 0.00 C ATOM 706 O VAL A 55 -0.147 8.904 9.497 1.00 0.00 O ATOM 707 CB VAL A 55 2.034 6.528 10.144 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.967 6.586 8.620 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.192 7.391 10.635 1.00 0.00 C ATOM 0 H VAL A 55 -0.957 6.840 9.515 1.00 0.00 H new ATOM 0 HA VAL A 55 0.748 6.915 11.812 1.00 0.00 H new ATOM 0 HB VAL A 55 2.189 5.497 10.462 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.901 6.213 8.200 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.140 5.969 8.268 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.812 7.617 8.302 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.127 7.018 10.216 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.038 8.422 10.317 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.240 7.350 11.723 1.00 0.00 H new ATOM 719 N THR A 56 1.200 9.383 11.238 1.00 0.00 N ATOM 720 CA THR A 56 1.115 10.817 11.054 1.00 0.00 C ATOM 721 C THR A 56 2.512 11.408 10.931 1.00 0.00 C ATOM 722 O THR A 56 3.401 11.077 11.713 1.00 0.00 O ATOM 723 CB THR A 56 0.368 11.437 12.232 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.888 10.811 12.373 1.00 0.00 O ATOM 725 CG2 THR A 56 0.167 12.928 11.979 1.00 0.00 C ATOM 0 H THR A 56 1.786 9.093 12.021 1.00 0.00 H new ATOM 0 HA THR A 56 0.569 11.036 10.137 1.00 0.00 H new ATOM 0 HB THR A 56 0.948 11.298 13.144 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.368 11.207 13.130 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.366 13.371 12.820 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.137 13.412 11.869 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.414 13.067 11.067 1.00 0.00 H new ATOM 733 N ALA A 57 2.704 12.287 9.945 1.00 0.00 N ATOM 734 CA ALA A 57 3.989 12.919 9.723 1.00 0.00 C ATOM 735 C ALA A 57 4.254 13.946 10.815 1.00 0.00 C ATOM 736 O ALA A 57 3.344 14.657 11.235 1.00 0.00 O ATOM 737 CB ALA A 57 4.001 13.578 8.347 1.00 0.00 C ATOM 0 H ALA A 57 1.977 12.573 9.289 1.00 0.00 H new ATOM 0 HA ALA A 57 4.778 12.168 9.758 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.967 14.054 8.180 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.831 12.822 7.580 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.213 14.330 8.297 1.00 0.00 H new ATOM 743 N ASP A 58 5.505 14.022 11.275 1.00 0.00 N ATOM 744 CA ASP A 58 5.881 14.959 12.315 1.00 0.00 C ATOM 745 C ASP A 58 6.174 16.320 11.700 1.00 0.00 C ATOM 746 O ASP A 58 5.916 16.537 10.519 1.00 0.00 O ATOM 747 CB ASP A 58 7.102 14.427 13.060 1.00 0.00 C ATOM 748 CG ASP A 58 8.287 14.267 12.117 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.214 14.845 11.011 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.243 13.570 12.520 1.00 0.00 O ATOM 0 H ASP A 58 6.271 13.440 10.937 1.00 0.00 H new ATOM 0 HA ASP A 58 5.061 15.072 13.024 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.365 15.109 13.869 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.864 13.467 13.518 1.00 0.00 H new ATOM 755 N ALA A 59 6.714 17.237 12.506 1.00 0.00 N ATOM 756 CA ALA A 59 7.037 18.570 12.039 1.00 0.00 C ATOM 757 C ALA A 59 8.095 18.491 10.947 1.00 0.00 C ATOM 758 O ALA A 59 8.181 19.375 10.098 1.00 0.00 O ATOM 759 CB ALA A 59 7.531 19.413 13.211 1.00 0.00 C ATOM 0 H ALA A 59 6.934 17.071 13.488 1.00 0.00 H new ATOM 0 HA ALA A 59 6.146 19.039 11.621 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.774 20.416 12.861 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.751 19.473 13.970 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.421 18.953 13.641 1.00 0.00 H new ATOM 765 N ASN A 60 8.903 17.428 10.972 1.00 0.00 N ATOM 766 CA ASN A 60 9.949 17.242 9.986 1.00 0.00 C ATOM 767 C ASN A 60 9.343 16.773 8.670 1.00 0.00 C ATOM 768 O ASN A 60 10.048 16.642 7.672 1.00 0.00 O ATOM 769 CB ASN A 60 10.961 16.226 10.507 1.00 0.00 C ATOM 770 CG ASN A 60 12.336 16.861 10.664 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.483 17.860 11.366 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.343 16.278 10.011 1.00 0.00 N ATOM 0 H ASN A 60 8.846 16.686 11.670 1.00 0.00 H new ATOM 0 HA ASN A 60 10.460 18.189 9.810 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.626 15.832 11.467 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.022 15.382 9.820 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.286 16.660 10.082 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.170 15.450 9.441 1.00 0.00 H new ATOM 779 N GLY A 61 8.032 16.521 8.670 1.00 0.00 N ATOM 780 CA GLY A 61 7.344 16.070 7.477 1.00 0.00 C ATOM 781 C GLY A 61 7.761 14.646 7.135 1.00 0.00 C ATOM 782 O GLY A 61 7.798 14.272 5.965 1.00 0.00 O ATOM 0 H GLY A 61 7.432 16.624 9.489 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.266 16.114 7.632 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.573 16.734 6.643 1.00 0.00 H new ATOM 786 N SER A 62 8.075 13.852 8.161 1.00 0.00 N ATOM 787 CA SER A 62 8.486 12.477 7.963 1.00 0.00 C ATOM 788 C SER A 62 7.582 11.548 8.763 1.00 0.00 C ATOM 789 O SER A 62 7.309 11.801 9.934 1.00 0.00 O ATOM 790 CB SER A 62 9.942 12.315 8.391 1.00 0.00 C ATOM 791 OG SER A 62 10.037 12.450 9.791 1.00 0.00 O ATOM 0 H SER A 62 8.050 14.147 9.137 1.00 0.00 H new ATOM 0 HA SER A 62 8.400 12.216 6.908 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.317 11.339 8.083 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.562 13.064 7.900 1.00 0.00 H new ATOM 0 HG SER A 62 10.971 12.345 10.067 1.00 0.00 H new ATOM 797 N ALA A 63 7.120 10.470 8.126 1.00 0.00 N ATOM 798 CA ALA A 63 6.252 9.511 8.779 1.00 0.00 C ATOM 799 C ALA A 63 6.516 8.117 8.227 1.00 0.00 C ATOM 800 O ALA A 63 6.401 7.892 7.024 1.00 0.00 O ATOM 801 CB ALA A 63 4.796 9.912 8.559 1.00 0.00 C ATOM 0 H ALA A 63 7.338 10.246 7.155 1.00 0.00 H new ATOM 0 HA ALA A 63 6.455 9.501 9.850 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.142 9.191 9.050 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.624 10.903 8.979 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.581 9.929 7.491 1.00 0.00 H new ATOM 807 N SER A 64 6.872 7.181 9.110 1.00 0.00 N ATOM 808 CA SER A 64 7.150 5.817 8.706 1.00 0.00 C ATOM 809 C SER A 64 6.246 4.859 9.468 1.00 0.00 C ATOM 810 O SER A 64 5.943 5.085 10.638 1.00 0.00 O ATOM 811 CB SER A 64 8.619 5.499 8.968 1.00 0.00 C ATOM 812 OG SER A 64 9.395 6.658 8.761 1.00 0.00 O ATOM 0 H SER A 64 6.972 7.352 10.111 1.00 0.00 H new ATOM 0 HA SER A 64 6.952 5.702 7.640 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.748 5.140 9.989 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.953 4.701 8.305 1.00 0.00 H new ATOM 0 HG SER A 64 10.338 6.455 8.931 1.00 0.00 H new ATOM 818 N THR A 65 5.816 3.784 8.803 1.00 0.00 N ATOM 819 CA THR A 65 4.952 2.800 9.424 1.00 0.00 C ATOM 820 C THR A 65 5.354 1.402 8.978 1.00 0.00 C ATOM 821 O THR A 65 6.272 1.243 8.176 1.00 0.00 O ATOM 822 CB THR A 65 3.501 3.090 9.051 1.00 0.00 C ATOM 823 OG1 THR A 65 2.713 3.126 10.220 1.00 0.00 O ATOM 824 CG2 THR A 65 2.985 1.994 8.123 1.00 0.00 C ATOM 0 H THR A 65 6.057 3.580 7.833 1.00 0.00 H new ATOM 0 HA THR A 65 5.054 2.856 10.508 1.00 0.00 H new ATOM 0 HB THR A 65 3.442 4.053 8.544 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.811 3.438 9.997 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.949 2.201 7.857 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.594 1.966 7.219 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.044 1.031 8.630 1.00 0.00 H new ATOM 832 N SER A 66 4.663 0.386 9.499 1.00 0.00 N ATOM 833 CA SER A 66 4.949 -0.991 9.152 1.00 0.00 C ATOM 834 C SER A 66 3.836 -1.545 8.274 1.00 0.00 C ATOM 835 O SER A 66 2.691 -1.647 8.710 1.00 0.00 O ATOM 836 CB SER A 66 5.095 -1.817 10.427 1.00 0.00 C ATOM 837 OG SER A 66 5.125 -0.956 11.543 1.00 0.00 O ATOM 0 H SER A 66 3.899 0.501 10.165 1.00 0.00 H new ATOM 0 HA SER A 66 5.883 -1.042 8.593 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.265 -2.517 10.517 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.009 -2.410 10.387 1.00 0.00 H new ATOM 0 HG SER A 66 5.217 -1.486 12.362 1.00 0.00 H new ATOM 843 N LEU A 67 4.174 -1.904 7.034 1.00 0.00 N ATOM 844 CA LEU A 67 3.204 -2.446 6.103 1.00 0.00 C ATOM 845 C LEU A 67 3.462 -3.932 5.896 1.00 0.00 C ATOM 846 O LEU A 67 4.560 -4.326 5.510 1.00 0.00 O ATOM 847 CB LEU A 67 3.295 -1.692 4.779 1.00 0.00 C ATOM 848 CG LEU A 67 1.927 -1.690 4.101 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.471 -3.127 3.869 1.00 0.00 C ATOM 850 CD2 LEU A 67 0.918 -0.973 4.995 1.00 0.00 C ATOM 0 H LEU A 67 5.119 -1.825 6.658 1.00 0.00 H new ATOM 0 HA LEU A 67 2.199 -2.325 6.507 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.628 -0.669 4.953 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.034 -2.162 4.130 1.00 0.00 H new ATOM 0 HG LEU A 67 1.997 -1.173 3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.494 -3.125 3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.191 -3.639 3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.401 -3.645 4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.059 -0.971 4.512 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.848 -1.490 5.952 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.243 0.054 5.160 1.00 0.00 H new ATOM 862 N THR A 68 2.445 -4.758 6.153 1.00 0.00 N ATOM 863 CA THR A 68 2.570 -6.192 5.991 1.00 0.00 C ATOM 864 C THR A 68 2.145 -6.595 4.586 1.00 0.00 C ATOM 865 O THR A 68 1.146 -6.098 4.070 1.00 0.00 O ATOM 866 CB THR A 68 1.712 -6.897 7.038 1.00 0.00 C ATOM 867 OG1 THR A 68 1.188 -8.087 6.492 1.00 0.00 O ATOM 868 CG2 THR A 68 0.566 -5.982 7.458 1.00 0.00 C ATOM 0 H THR A 68 1.528 -4.449 6.474 1.00 0.00 H new ATOM 0 HA THR A 68 3.610 -6.487 6.131 1.00 0.00 H new ATOM 0 HB THR A 68 2.324 -7.135 7.908 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.924 -8.668 6.207 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.047 -6.486 8.206 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.971 -5.062 7.880 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.046 -5.743 6.588 1.00 0.00 H new ATOM 876 N VAL A 69 2.907 -7.500 3.968 1.00 0.00 N ATOM 877 CA VAL A 69 2.608 -7.965 2.629 1.00 0.00 C ATOM 878 C VAL A 69 2.191 -9.428 2.673 1.00 0.00 C ATOM 879 O VAL A 69 2.909 -10.264 3.218 1.00 0.00 O ATOM 880 CB VAL A 69 3.835 -7.779 1.740 1.00 0.00 C ATOM 881 CG1 VAL A 69 5.069 -7.575 2.614 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.026 -9.019 0.871 1.00 0.00 C ATOM 0 H VAL A 69 3.738 -7.922 4.383 1.00 0.00 H new ATOM 0 HA VAL A 69 1.784 -7.385 2.214 1.00 0.00 H new ATOM 0 HB VAL A 69 3.693 -6.907 1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.946 -7.442 1.980 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.933 -6.690 3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.211 -8.447 3.252 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.902 -8.887 0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.168 -9.892 1.508 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.144 -9.165 0.247 1.00 0.00 H new ATOM 892 N ARG A 70 1.027 -9.737 2.098 1.00 0.00 N ATOM 893 CA ARG A 70 0.521 -11.094 2.075 1.00 0.00 C ATOM 894 C ARG A 70 0.477 -11.604 0.642 1.00 0.00 C ATOM 895 O ARG A 70 0.724 -10.849 -0.296 1.00 0.00 O ATOM 896 CB ARG A 70 -0.869 -11.128 2.704 1.00 0.00 C ATOM 897 CG ARG A 70 -0.748 -11.450 4.191 1.00 0.00 C ATOM 898 CD ARG A 70 0.425 -10.675 4.785 1.00 0.00 C ATOM 899 NE ARG A 70 0.332 -10.619 6.244 1.00 0.00 N ATOM 900 CZ ARG A 70 0.653 -11.654 7.032 1.00 0.00 C ATOM 901 NH1 ARG A 70 1.082 -12.802 6.489 1.00 0.00 N ATOM 902 NH2 ARG A 70 0.546 -11.542 8.363 1.00 0.00 N ATOM 0 H ARG A 70 0.421 -9.055 1.642 1.00 0.00 H new ATOM 0 HA ARG A 70 1.182 -11.743 2.650 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.365 -10.167 2.569 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.486 -11.877 2.208 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -1.671 -11.186 4.707 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.599 -12.521 4.331 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.363 -11.149 4.495 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.440 -9.664 4.379 1.00 0.00 H new ATOM 0 HE ARG A 70 0.009 -9.755 6.680 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.164 -12.888 5.476 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.326 -13.590 7.089 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.220 -10.669 8.777 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.790 -12.330 8.962 1.00 0.00 H new ATOM 916 N ARG A 71 0.160 -12.890 0.474 1.00 0.00 N ATOM 917 CA ARG A 71 0.086 -13.494 -0.841 1.00 0.00 C ATOM 918 C ARG A 71 -1.368 -13.602 -1.278 1.00 0.00 C ATOM 919 O ARG A 71 -1.650 -13.952 -2.422 1.00 0.00 O ATOM 920 CB ARG A 71 0.743 -14.871 -0.805 1.00 0.00 C ATOM 921 CG ARG A 71 0.018 -15.754 0.206 1.00 0.00 C ATOM 922 CD ARG A 71 0.445 -17.207 0.011 1.00 0.00 C ATOM 923 NE ARG A 71 0.484 -17.919 1.288 1.00 0.00 N ATOM 924 CZ ARG A 71 -0.622 -18.262 1.962 1.00 0.00 C ATOM 925 NH1 ARG A 71 -1.829 -17.955 1.470 1.00 0.00 N ATOM 926 NH2 ARG A 71 -0.521 -18.913 3.130 1.00 0.00 N ATOM 0 H ARG A 71 -0.049 -13.528 1.242 1.00 0.00 H new ATOM 0 HA ARG A 71 0.616 -12.871 -1.562 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.708 -15.328 -1.794 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.795 -14.777 -0.534 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.249 -15.429 1.220 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.061 -15.661 0.079 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.249 -17.706 -0.666 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.428 -17.241 -0.458 1.00 0.00 H new ATOM 0 HE ARG A 71 1.392 -18.165 1.682 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.907 -17.460 0.582 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.671 -18.216 1.984 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.398 -19.147 3.506 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.363 -19.174 3.643 1.00 0.00 H new ATOM 940 N SER A 72 -2.292 -13.301 -0.363 1.00 0.00 N ATOM 941 CA SER A 72 -3.709 -13.364 -0.659 1.00 0.00 C ATOM 942 C SER A 72 -4.502 -12.731 0.475 1.00 0.00 C ATOM 943 O SER A 72 -4.097 -12.800 1.634 1.00 0.00 O ATOM 944 CB SER A 72 -4.121 -14.820 -0.860 1.00 0.00 C ATOM 945 OG SER A 72 -4.614 -15.340 0.354 1.00 0.00 O ATOM 0 H SER A 72 -2.074 -13.011 0.590 1.00 0.00 H new ATOM 0 HA SER A 72 -3.918 -12.811 -1.574 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.885 -14.890 -1.635 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.268 -15.407 -1.200 1.00 0.00 H new ATOM 0 HG SER A 72 -4.880 -16.274 0.226 1.00 0.00 H new ATOM 951 N PHE A 73 -5.637 -12.113 0.140 1.00 0.00 N ATOM 952 CA PHE A 73 -6.479 -11.474 1.131 1.00 0.00 C ATOM 953 C PHE A 73 -7.725 -10.908 0.463 1.00 0.00 C ATOM 954 O PHE A 73 -7.744 -10.707 -0.749 1.00 0.00 O ATOM 955 CB PHE A 73 -5.692 -10.370 1.830 1.00 0.00 C ATOM 956 CG PHE A 73 -4.846 -9.544 0.890 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.457 -8.766 -0.100 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.452 -9.554 1.011 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.673 -7.999 -0.971 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.668 -8.787 0.141 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.279 -8.010 -0.850 1.00 0.00 C ATOM 0 H PHE A 73 -5.987 -12.046 -0.816 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.791 -12.207 1.875 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.388 -9.713 2.351 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.048 -10.818 2.587 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.533 -8.757 -0.192 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.981 -10.154 1.776 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.144 -7.399 -1.736 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.592 -8.795 0.234 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.674 -7.419 -1.522 1.00 0.00 H new ATOM 971 N GLU A 74 -8.767 -10.652 1.257 1.00 0.00 N ATOM 972 CA GLU A 74 -10.007 -10.111 0.737 1.00 0.00 C ATOM 973 C GLU A 74 -9.735 -8.811 -0.006 1.00 0.00 C ATOM 974 O GLU A 74 -9.304 -7.828 0.593 1.00 0.00 O ATOM 975 CB GLU A 74 -10.982 -9.882 1.888 1.00 0.00 C ATOM 976 CG GLU A 74 -10.331 -8.986 2.937 1.00 0.00 C ATOM 977 CD GLU A 74 -10.284 -9.680 4.291 1.00 0.00 C ATOM 978 OE1 GLU A 74 -11.373 -10.071 4.766 1.00 0.00 O ATOM 979 OE2 GLU A 74 -9.161 -9.808 4.825 1.00 0.00 O ATOM 0 H GLU A 74 -8.768 -10.814 2.264 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.450 -10.819 0.036 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.897 -9.420 1.517 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.265 -10.836 2.334 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.320 -8.726 2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.889 -8.053 3.021 1.00 0.00 H new ATOM 986 N GLY A 75 -9.988 -8.806 -1.317 1.00 0.00 N ATOM 987 CA GLY A 75 -9.769 -7.626 -2.130 1.00 0.00 C ATOM 988 C GLY A 75 -10.908 -6.634 -1.938 1.00 0.00 C ATOM 989 O GLY A 75 -11.934 -6.726 -2.608 1.00 0.00 O ATOM 0 H GLY A 75 -10.345 -9.611 -1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.822 -7.160 -1.859 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.696 -7.908 -3.180 1.00 0.00 H new ATOM 993 N PHE A 76 -10.724 -5.684 -1.019 1.00 0.00 N ATOM 994 CA PHE A 76 -11.735 -4.682 -0.745 1.00 0.00 C ATOM 995 C PHE A 76 -11.615 -3.540 -1.744 1.00 0.00 C ATOM 996 O PHE A 76 -10.769 -2.663 -1.589 1.00 0.00 O ATOM 997 CB PHE A 76 -11.568 -4.171 0.684 1.00 0.00 C ATOM 998 CG PHE A 76 -12.616 -4.694 1.637 1.00 0.00 C ATOM 999 CD1 PHE A 76 -12.415 -5.911 2.300 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -13.788 -3.961 1.860 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -13.386 -6.394 3.185 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -14.759 -4.444 2.745 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.558 -5.661 3.408 1.00 0.00 C ATOM 0 H PHE A 76 -9.879 -5.594 -0.455 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.727 -5.123 -0.846 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.581 -4.455 1.050 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.605 -3.082 0.678 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.511 -6.477 2.129 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -13.943 -3.022 1.349 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -13.231 -7.333 3.696 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -15.663 -3.878 2.916 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.307 -6.034 4.091 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.466 -3.553 -2.773 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.452 -2.522 -3.791 1.00 0.00 C ATOM 1015 C LEU A 77 -12.561 -1.151 -3.138 1.00 0.00 C ATOM 1016 O LEU A 77 -13.385 -0.948 -2.249 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.606 -2.751 -4.763 1.00 0.00 C ATOM 1018 CG LEU A 77 -14.095 -1.408 -5.297 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -13.000 -0.768 -6.145 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -15.340 -1.624 -6.152 1.00 0.00 C ATOM 0 H LEU A 77 -13.173 -4.274 -2.916 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.514 -2.566 -4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.281 -3.386 -5.587 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.420 -3.273 -4.261 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.337 -0.751 -4.461 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.349 0.191 -6.527 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.110 -0.614 -5.534 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.757 -1.424 -6.981 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.690 -0.665 -6.534 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.098 -2.281 -6.988 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.123 -2.081 -5.546 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.728 -0.208 -3.583 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.737 1.136 -3.041 1.00 0.00 C ATOM 1034 C PHE A 78 -13.168 1.642 -2.940 1.00 0.00 C ATOM 1035 O PHE A 78 -13.524 2.316 -1.976 1.00 0.00 O ATOM 1036 CB PHE A 78 -10.901 2.049 -3.933 1.00 0.00 C ATOM 1037 CG PHE A 78 -11.630 2.513 -5.172 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -12.618 3.500 -5.073 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -11.319 1.955 -6.417 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -13.295 3.929 -6.221 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -11.997 2.384 -7.565 1.00 0.00 C ATOM 1042 CZ PHE A 78 -12.985 3.372 -7.467 1.00 0.00 C ATOM 0 H PHE A 78 -11.039 -0.359 -4.320 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.304 1.132 -2.041 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.589 2.920 -3.357 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -9.994 1.522 -4.230 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -12.858 3.930 -4.112 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -10.557 1.194 -6.493 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -14.057 4.690 -6.145 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -11.758 1.953 -8.526 1.00 0.00 H new ATOM 0 HZ PHE A 78 -13.507 3.704 -8.352 1.00 0.00 H new ATOM 1052 N ASP A 79 -13.991 1.316 -3.940 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.376 1.740 -3.959 1.00 0.00 C ATOM 1054 C ASP A 79 -16.079 1.261 -2.697 1.00 0.00 C ATOM 1055 O ASP A 79 -17.146 1.762 -2.350 1.00 0.00 O ATOM 1056 CB ASP A 79 -16.061 1.182 -5.204 1.00 0.00 C ATOM 1057 CG ASP A 79 -17.162 2.116 -5.683 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -16.848 3.309 -5.884 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -18.299 1.619 -5.841 1.00 0.00 O ATOM 0 H ASP A 79 -13.712 0.757 -4.746 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.427 2.828 -3.989 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.326 1.043 -5.997 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.481 0.201 -4.984 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.477 0.288 -2.008 1.00 0.00 N ATOM 1065 CA GLY A 80 -16.052 -0.249 -0.790 1.00 0.00 C ATOM 1066 C GLY A 80 -16.821 -1.528 -1.089 1.00 0.00 C ATOM 1067 O GLY A 80 -17.769 -1.865 -0.384 1.00 0.00 O ATOM 0 H GLY A 80 -14.591 -0.139 -2.280 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.263 -0.452 -0.066 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.718 0.487 -0.339 1.00 0.00 H new ATOM 1071 N THR A 81 -16.410 -2.243 -2.140 1.00 0.00 N ATOM 1072 CA THR A 81 -17.062 -3.478 -2.522 1.00 0.00 C ATOM 1073 C THR A 81 -16.122 -4.653 -2.296 1.00 0.00 C ATOM 1074 O THR A 81 -14.927 -4.558 -2.571 1.00 0.00 O ATOM 1075 CB THR A 81 -17.484 -3.397 -3.987 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.767 -2.819 -4.075 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.516 -4.801 -4.586 1.00 0.00 C ATOM 0 H THR A 81 -15.626 -1.979 -2.737 1.00 0.00 H new ATOM 0 HA THR A 81 -17.950 -3.628 -1.908 1.00 0.00 H new ATOM 0 HB THR A 81 -16.771 -2.784 -4.537 1.00 0.00 H new ATOM 0 HG1 THR A 81 -19.038 -2.765 -5.015 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.817 -4.744 -5.632 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.524 -5.248 -4.518 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.229 -5.415 -4.036 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.664 -5.765 -1.794 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.874 -6.951 -1.533 1.00 0.00 C ATOM 1087 C ARG A 82 -15.696 -7.745 -2.819 1.00 0.00 C ATOM 1088 O ARG A 82 -16.539 -8.571 -3.163 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.565 -7.797 -0.467 1.00 0.00 C ATOM 1090 CG ARG A 82 -15.582 -8.827 0.081 1.00 0.00 C ATOM 1091 CD ARG A 82 -16.133 -9.418 1.376 1.00 0.00 C ATOM 1092 NE ARG A 82 -15.365 -10.593 1.786 1.00 0.00 N ATOM 1093 CZ ARG A 82 -15.489 -11.156 2.996 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -16.346 -10.642 3.888 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -14.755 -12.231 3.313 1.00 0.00 N ATOM 0 H ARG A 82 -17.653 -5.860 -1.562 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.888 -6.663 -1.167 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.928 -7.160 0.339 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -17.434 -8.299 -0.893 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.421 -9.617 -0.652 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.614 -8.360 0.265 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -16.102 -8.666 2.165 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -17.179 -9.693 1.238 1.00 0.00 H new ATOM 0 HE ARG A 82 -14.707 -11.002 1.123 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -16.904 -9.823 3.646 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -16.441 -11.070 4.809 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -14.102 -12.621 2.634 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -14.849 -12.659 4.234 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.595 -7.495 -3.531 1.00 0.00 N ATOM 1110 CA TRP A 83 -14.316 -8.190 -4.772 1.00 0.00 C ATOM 1111 C TRP A 83 -14.136 -9.678 -4.503 1.00 0.00 C ATOM 1112 O TRP A 83 -14.845 -10.505 -5.071 1.00 0.00 O ATOM 1113 CB TRP A 83 -13.064 -7.601 -5.414 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.266 -8.561 -6.236 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -10.995 -8.939 -5.980 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -12.658 -9.277 -7.447 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -10.576 -9.833 -6.943 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -11.564 -10.077 -7.874 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -13.826 -9.331 -8.228 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -11.624 -10.886 -9.012 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -13.897 -10.140 -9.372 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -12.801 -10.917 -9.766 1.00 0.00 C ATOM 0 H TRP A 83 -13.886 -6.813 -3.262 1.00 0.00 H new ATOM 0 HA TRP A 83 -15.153 -8.065 -5.458 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -13.357 -6.762 -6.045 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -12.425 -7.200 -4.628 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -10.398 -8.594 -5.149 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -9.650 -10.261 -6.964 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -14.683 -8.739 -7.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -10.771 -11.480 -9.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -14.806 -10.164 -9.955 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -12.864 -11.537 -10.648 1.00 0.00 H new ATOM 1133 N GLY A 84 -13.182 -10.017 -3.633 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.916 -11.402 -3.297 1.00 0.00 C ATOM 1135 C GLY A 84 -11.458 -11.577 -2.896 1.00 0.00 C ATOM 1136 O GLY A 84 -10.651 -10.666 -3.064 1.00 0.00 O ATOM 0 H GLY A 84 -12.585 -9.344 -3.152 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.565 -11.716 -2.480 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.145 -12.041 -4.150 1.00 0.00 H new ATOM 1140 N THR A 85 -11.121 -12.754 -2.363 1.00 0.00 N ATOM 1141 CA THR A 85 -9.764 -13.039 -1.943 1.00 0.00 C ATOM 1142 C THR A 85 -8.822 -12.947 -3.135 1.00 0.00 C ATOM 1143 O THR A 85 -8.792 -13.843 -3.976 1.00 0.00 O ATOM 1144 CB THR A 85 -9.708 -14.429 -1.316 1.00 0.00 C ATOM 1145 OG1 THR A 85 -10.952 -14.727 -0.723 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.616 -14.463 -0.251 1.00 0.00 C ATOM 0 H THR A 85 -11.777 -13.521 -2.216 1.00 0.00 H new ATOM 0 HA THR A 85 -9.449 -12.306 -1.201 1.00 0.00 H new ATOM 0 HB THR A 85 -9.487 -15.167 -2.087 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.917 -15.620 -0.322 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.576 -15.456 0.197 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.654 -14.232 -0.709 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.837 -13.725 0.520 1.00 0.00 H new ATOM 1154 N VAL A 86 -8.051 -11.860 -3.205 1.00 0.00 N ATOM 1155 CA VAL A 86 -7.113 -11.655 -4.290 1.00 0.00 C ATOM 1156 C VAL A 86 -5.832 -12.430 -4.016 1.00 0.00 C ATOM 1157 O VAL A 86 -5.454 -12.620 -2.862 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.823 -10.165 -4.437 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -6.336 -9.607 -3.102 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -5.746 -9.958 -5.498 1.00 0.00 C ATOM 0 H VAL A 86 -8.065 -11.109 -2.515 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.543 -12.020 -5.222 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.733 -9.646 -4.737 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -6.129 -8.542 -3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.105 -9.754 -2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.426 -10.126 -2.801 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -5.539 -8.893 -5.603 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.836 -10.477 -5.198 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -6.093 -10.356 -6.452 1.00 0.00 H new ATOM 1170 N ASP A 87 -5.163 -12.877 -5.081 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.931 -13.628 -4.949 1.00 0.00 C ATOM 1172 C ASP A 87 -2.749 -12.749 -5.334 1.00 0.00 C ATOM 1173 O ASP A 87 -2.450 -12.592 -6.515 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.994 -14.868 -5.836 1.00 0.00 C ATOM 1175 CG ASP A 87 -5.035 -15.852 -5.321 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -4.984 -16.148 -4.108 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -5.861 -16.291 -6.150 1.00 0.00 O ATOM 0 H ASP A 87 -5.462 -12.727 -6.044 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.802 -13.945 -3.914 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.237 -14.577 -6.858 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.016 -15.349 -5.865 1.00 0.00 H new ATOM 1182 N CYS A 88 -2.078 -12.176 -4.332 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.935 -11.318 -4.570 1.00 0.00 C ATOM 1184 C CYS A 88 0.063 -12.028 -5.474 1.00 0.00 C ATOM 1185 O CYS A 88 0.841 -11.381 -6.171 1.00 0.00 O ATOM 1186 CB CYS A 88 -0.290 -10.950 -3.236 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.932 -9.424 -2.505 1.00 0.00 S ATOM 0 H CYS A 88 -2.315 -12.297 -3.347 1.00 0.00 H new ATOM 0 HA CYS A 88 -1.259 -10.403 -5.067 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.441 -11.769 -2.533 1.00 0.00 H new ATOM 0 HB3 CYS A 88 0.786 -10.847 -3.380 1.00 0.00 H new ATOM 1192 N THR A 89 0.040 -13.363 -5.461 1.00 0.00 N ATOM 1193 CA THR A 89 0.942 -14.147 -6.280 1.00 0.00 C ATOM 1194 C THR A 89 0.414 -14.224 -7.705 1.00 0.00 C ATOM 1195 O THR A 89 1.008 -14.883 -8.555 1.00 0.00 O ATOM 1196 CB THR A 89 1.086 -15.543 -5.681 1.00 0.00 C ATOM 1197 OG1 THR A 89 -0.192 -16.068 -5.399 1.00 0.00 O ATOM 1198 CG2 THR A 89 1.898 -15.463 -4.391 1.00 0.00 C ATOM 0 H THR A 89 -0.598 -13.916 -4.888 1.00 0.00 H new ATOM 0 HA THR A 89 1.923 -13.672 -6.304 1.00 0.00 H new ATOM 0 HB THR A 89 1.597 -16.192 -6.392 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.100 -16.965 -5.016 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.001 -16.460 -3.963 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.886 -15.058 -4.608 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.388 -14.814 -3.679 1.00 0.00 H new ATOM 1206 N THR A 90 -0.706 -13.546 -7.966 1.00 0.00 N ATOM 1207 CA THR A 90 -1.303 -13.542 -9.286 1.00 0.00 C ATOM 1208 C THR A 90 -1.209 -12.150 -9.894 1.00 0.00 C ATOM 1209 O THR A 90 -1.174 -12.004 -11.114 1.00 0.00 O ATOM 1210 CB THR A 90 -2.758 -13.990 -9.186 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.806 -15.361 -8.857 1.00 0.00 O ATOM 1212 CG2 THR A 90 -3.454 -13.765 -10.526 1.00 0.00 C ATOM 0 H THR A 90 -1.212 -12.994 -7.273 1.00 0.00 H new ATOM 0 HA THR A 90 -0.765 -14.235 -9.933 1.00 0.00 H new ATOM 0 HB THR A 90 -3.263 -13.412 -8.412 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.740 -15.649 -8.791 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.493 -14.085 -10.454 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.417 -12.706 -10.782 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.949 -14.343 -11.300 1.00 0.00 H new ATOM 1220 N ALA A 91 -1.166 -11.126 -9.039 1.00 0.00 N ATOM 1221 CA ALA A 91 -1.077 -9.754 -9.494 1.00 0.00 C ATOM 1222 C ALA A 91 -0.027 -9.009 -8.681 1.00 0.00 C ATOM 1223 O ALA A 91 0.615 -9.591 -7.810 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.441 -9.084 -9.359 1.00 0.00 C ATOM 0 H ALA A 91 -1.192 -11.231 -8.025 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.779 -9.733 -10.542 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.375 -8.051 -9.701 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.171 -9.621 -9.964 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.753 -9.101 -8.315 1.00 0.00 H new ATOM 1230 N ALA A 92 0.146 -7.716 -8.968 1.00 0.00 N ATOM 1231 CA ALA A 92 1.115 -6.900 -8.265 1.00 0.00 C ATOM 1232 C ALA A 92 0.428 -6.133 -7.145 1.00 0.00 C ATOM 1233 O ALA A 92 -0.566 -5.448 -7.378 1.00 0.00 O ATOM 1234 CB ALA A 92 1.780 -5.942 -9.249 1.00 0.00 C ATOM 0 H ALA A 92 -0.379 -7.218 -9.687 1.00 0.00 H new ATOM 0 HA ALA A 92 1.882 -7.537 -7.824 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.509 -5.327 -8.722 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.283 -6.513 -10.029 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.023 -5.300 -9.700 1.00 0.00 H new ATOM 1240 N CYS A 93 0.960 -6.249 -5.926 1.00 0.00 N ATOM 1241 CA CYS A 93 0.397 -5.568 -4.778 1.00 0.00 C ATOM 1242 C CYS A 93 1.247 -4.353 -4.432 1.00 0.00 C ATOM 1243 O CYS A 93 2.443 -4.329 -4.715 1.00 0.00 O ATOM 1244 CB CYS A 93 0.327 -6.533 -3.598 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.695 -7.995 -3.904 1.00 0.00 S ATOM 0 H CYS A 93 1.784 -6.813 -5.717 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.612 -5.227 -5.011 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.337 -6.855 -3.344 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.066 -6.003 -2.731 1.00 0.00 H new ATOM 1250 N GLN A 94 0.627 -3.343 -3.817 1.00 0.00 N ATOM 1251 CA GLN A 94 1.329 -2.134 -3.438 1.00 0.00 C ATOM 1252 C GLN A 94 0.728 -1.567 -2.159 1.00 0.00 C ATOM 1253 O GLN A 94 -0.475 -1.678 -1.934 1.00 0.00 O ATOM 1254 CB GLN A 94 1.239 -1.118 -4.574 1.00 0.00 C ATOM 1255 CG GLN A 94 0.145 -0.101 -4.263 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.413 0.504 -5.543 1.00 0.00 C ATOM 1257 OE1 GLN A 94 0.146 0.308 -6.620 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -1.519 1.243 -5.423 1.00 0.00 N ATOM 0 H GLN A 94 -0.364 -3.348 -3.574 1.00 0.00 H new ATOM 0 HA GLN A 94 2.379 -2.361 -3.253 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.196 -0.611 -4.699 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.022 -1.626 -5.514 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.657 -0.583 -3.704 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.547 0.688 -3.628 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.946 1.376 -4.506 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.936 1.674 -6.248 1.00 0.00 H new ATOM 1267 N VAL A 95 1.570 -0.958 -1.321 1.00 0.00 N ATOM 1268 CA VAL A 95 1.120 -0.377 -0.072 1.00 0.00 C ATOM 1269 C VAL A 95 0.972 1.130 -0.229 1.00 0.00 C ATOM 1270 O VAL A 95 1.503 1.713 -1.171 1.00 0.00 O ATOM 1271 CB VAL A 95 2.119 -0.711 1.032 1.00 0.00 C ATOM 1272 CG1 VAL A 95 2.009 0.324 2.148 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.812 -2.097 1.592 1.00 0.00 C ATOM 0 H VAL A 95 2.570 -0.859 -1.494 1.00 0.00 H new ATOM 0 HA VAL A 95 0.149 -0.791 0.198 1.00 0.00 H new ATOM 0 HB VAL A 95 3.130 -0.699 0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.722 0.086 2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.227 1.314 1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.999 0.312 2.557 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.525 -2.337 2.381 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.801 -2.109 2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.890 -2.837 0.795 1.00 0.00 H new ATOM 1283 N GLY A 96 0.248 1.761 0.699 1.00 0.00 N ATOM 1284 CA GLY A 96 0.037 3.194 0.654 1.00 0.00 C ATOM 1285 C GLY A 96 -0.761 3.648 1.868 1.00 0.00 C ATOM 1286 O GLY A 96 -1.455 2.848 2.493 1.00 0.00 O ATOM 0 H GLY A 96 -0.199 1.294 1.488 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.997 3.709 0.628 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.494 3.462 -0.260 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.662 4.937 2.202 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.373 5.490 3.337 1.00 0.00 C ATOM 1292 C LEU A 97 -2.085 6.771 2.925 1.00 0.00 C ATOM 1293 O LEU A 97 -1.468 7.675 2.366 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.388 5.760 4.471 1.00 0.00 C ATOM 1295 CG LEU A 97 0.648 6.781 4.012 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.850 7.827 5.105 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.971 6.074 3.734 1.00 0.00 C ATOM 0 H LEU A 97 -0.091 5.613 1.694 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.121 4.778 3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.919 6.133 5.347 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.105 4.834 4.767 1.00 0.00 H new ATOM 0 HG LEU A 97 0.299 7.269 3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.590 8.557 4.778 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.095 8.333 5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.199 7.339 6.015 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.711 6.804 3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.321 5.586 4.644 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.827 5.327 2.954 1.00 0.00 H new ATOM 1309 N SER A 98 -3.388 6.847 3.204 1.00 0.00 N ATOM 1310 CA SER A 98 -4.175 8.016 2.864 1.00 0.00 C ATOM 1311 C SER A 98 -4.711 8.665 4.132 1.00 0.00 C ATOM 1312 O SER A 98 -4.811 8.016 5.170 1.00 0.00 O ATOM 1313 CB SER A 98 -5.319 7.606 1.941 1.00 0.00 C ATOM 1314 OG SER A 98 -4.828 7.443 0.629 1.00 0.00 O ATOM 0 H SER A 98 -3.915 6.106 3.666 1.00 0.00 H new ATOM 0 HA SER A 98 -3.549 8.742 2.346 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.768 6.676 2.291 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.102 8.364 1.956 1.00 0.00 H new ATOM 0 HG SER A 98 -5.562 7.178 0.036 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.058 9.951 4.045 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.581 10.681 5.182 1.00 0.00 C ATOM 1322 C ASP A 99 -7.052 10.999 4.957 1.00 0.00 C ATOM 1323 O ASP A 99 -7.721 10.328 4.176 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.774 11.961 5.380 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.322 13.088 4.516 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.470 12.849 3.298 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.583 14.167 5.091 1.00 0.00 O ATOM 0 H ASP A 99 -4.982 10.503 3.191 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.495 10.072 6.082 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.803 12.255 6.429 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.729 11.779 5.128 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.554 12.028 5.645 1.00 0.00 N ATOM 1333 CA ALA A 100 -8.941 12.428 5.518 1.00 0.00 C ATOM 1334 C ALA A 100 -9.212 12.903 4.098 1.00 0.00 C ATOM 1335 O ALA A 100 -10.190 12.490 3.479 1.00 0.00 O ATOM 1336 CB ALA A 100 -9.244 13.533 6.526 1.00 0.00 C ATOM 0 H ALA A 100 -7.011 12.595 6.296 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.590 11.577 5.725 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.287 13.835 6.432 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.063 13.164 7.536 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.599 14.390 6.331 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.342 13.775 3.582 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.492 14.302 2.241 1.00 0.00 C ATOM 1344 C ALA A 101 -8.156 13.222 1.222 1.00 0.00 C ATOM 1345 O ALA A 101 -8.642 13.258 0.094 1.00 0.00 O ATOM 1346 CB ALA A 101 -7.580 15.513 2.066 1.00 0.00 C ATOM 0 H ALA A 101 -7.526 14.127 4.082 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.524 14.615 2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.692 15.910 1.057 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.852 16.281 2.791 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.544 15.214 2.225 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.321 12.259 1.621 1.00 0.00 N ATOM 1353 CA GLY A 102 -6.928 11.179 0.739 1.00 0.00 C ATOM 1354 C GLY A 102 -5.587 11.490 0.090 1.00 0.00 C ATOM 1355 O GLY A 102 -5.431 11.341 -1.120 1.00 0.00 O ATOM 0 H GLY A 102 -6.908 12.213 2.553 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.861 10.247 1.301 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.687 11.033 -0.030 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.617 11.923 0.898 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.297 12.251 0.398 1.00 0.00 C ATOM 1361 C ASN A 103 -2.264 11.312 1.004 1.00 0.00 C ATOM 1362 O ASN A 103 -2.474 10.770 2.088 1.00 0.00 O ATOM 1363 CB ASN A 103 -2.973 13.703 0.739 1.00 0.00 C ATOM 1364 CG ASN A 103 -3.511 14.072 2.114 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -4.402 14.910 2.229 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -2.968 13.442 3.158 1.00 0.00 N ATOM 0 H ASN A 103 -4.730 12.052 1.903 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.275 12.130 -0.685 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -1.894 13.854 0.714 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.405 14.362 -0.014 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.291 13.649 4.103 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -2.230 12.753 3.011 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.145 11.120 0.303 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.090 10.248 0.778 1.00 0.00 C ATOM 1375 C GLY A 104 1.191 10.493 -0.007 1.00 0.00 C ATOM 1376 O GLY A 104 1.187 11.227 -0.993 1.00 0.00 O ATOM 0 H GLY A 104 -0.954 11.561 -0.596 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.086 10.424 1.839 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.395 9.207 0.674 1.00 0.00 H new ATOM 1380 N PRO A 105 2.290 9.876 0.434 1.00 0.00 N ATOM 1381 CA PRO A 105 3.593 9.990 -0.185 1.00 0.00 C ATOM 1382 C PRO A 105 3.604 9.223 -1.499 1.00 0.00 C ATOM 1383 O PRO A 105 2.653 8.510 -1.811 1.00 0.00 O ATOM 1384 CB PRO A 105 4.560 9.368 0.821 1.00 0.00 C ATOM 1385 CG PRO A 105 3.693 8.321 1.519 1.00 0.00 C ATOM 1386 CD PRO A 105 2.331 9.007 1.590 1.00 0.00 C ATOM 0 HA PRO A 105 3.864 11.020 -0.417 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.422 8.917 0.329 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.945 10.108 1.523 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.649 7.390 0.954 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.074 8.075 2.510 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.520 8.279 1.566 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.222 9.574 2.514 1.00 0.00 H new ATOM 1394 N GLU A 106 4.683 9.370 -2.271 1.00 0.00 N ATOM 1395 CA GLU A 106 4.808 8.691 -3.544 1.00 0.00 C ATOM 1396 C GLU A 106 4.189 7.303 -3.456 1.00 0.00 C ATOM 1397 O GLU A 106 4.127 6.716 -2.378 1.00 0.00 O ATOM 1398 CB GLU A 106 6.282 8.602 -3.930 1.00 0.00 C ATOM 1399 CG GLU A 106 7.030 7.771 -2.892 1.00 0.00 C ATOM 1400 CD GLU A 106 8.503 8.150 -2.851 1.00 0.00 C ATOM 1401 OE1 GLU A 106 8.789 9.266 -2.365 1.00 0.00 O ATOM 1402 OE2 GLU A 106 9.317 7.317 -3.306 1.00 0.00 O ATOM 0 H GLU A 106 5.481 9.957 -2.028 1.00 0.00 H new ATOM 0 HA GLU A 106 4.277 9.254 -4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.384 8.149 -4.916 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.714 9.601 -3.992 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.584 7.923 -1.909 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.930 6.712 -3.128 1.00 0.00 H new ATOM 1409 N GLY A 107 3.731 6.778 -4.594 1.00 0.00 N ATOM 1410 CA GLY A 107 3.121 5.463 -4.635 1.00 0.00 C ATOM 1411 C GLY A 107 4.161 4.391 -4.343 1.00 0.00 C ATOM 1412 O GLY A 107 5.350 4.593 -4.581 1.00 0.00 O ATOM 0 H GLY A 107 3.775 7.250 -5.497 1.00 0.00 H new ATOM 0 HA2 GLY A 107 2.314 5.406 -3.904 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.676 5.291 -5.615 1.00 0.00 H new ATOM 1416 N VAL A 108 3.710 3.246 -3.825 1.00 0.00 N ATOM 1417 CA VAL A 108 4.600 2.149 -3.503 1.00 0.00 C ATOM 1418 C VAL A 108 4.091 0.867 -4.146 1.00 0.00 C ATOM 1419 O VAL A 108 3.066 0.328 -3.734 1.00 0.00 O ATOM 1420 CB VAL A 108 4.689 1.995 -1.987 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.187 0.594 -1.646 1.00 0.00 C ATOM 1422 CG2 VAL A 108 5.660 3.030 -1.427 1.00 0.00 C ATOM 0 H VAL A 108 2.727 3.063 -3.622 1.00 0.00 H new ATOM 0 HA VAL A 108 5.596 2.357 -3.893 1.00 0.00 H new ATOM 0 HB VAL A 108 3.703 2.147 -1.548 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.251 0.484 -0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.494 -0.146 -2.046 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.173 0.442 -2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.724 2.921 -0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.646 2.879 -1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.305 4.031 -1.670 1.00 0.00 H new ATOM 1432 N ALA A 109 4.810 0.380 -5.160 1.00 0.00 N ATOM 1433 CA ALA A 109 4.428 -0.833 -5.855 1.00 0.00 C ATOM 1434 C ALA A 109 5.141 -2.027 -5.237 1.00 0.00 C ATOM 1435 O ALA A 109 6.238 -1.887 -4.699 1.00 0.00 O ATOM 1436 CB ALA A 109 4.775 -0.702 -7.335 1.00 0.00 C ATOM 0 H ALA A 109 5.662 0.816 -5.513 1.00 0.00 H new ATOM 0 HA ALA A 109 3.353 -0.988 -5.761 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.488 -1.614 -7.858 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.238 0.145 -7.761 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.848 -0.543 -7.445 1.00 0.00 H new ATOM 1442 N ILE A 110 4.516 -3.204 -5.316 1.00 0.00 N ATOM 1443 CA ILE A 110 5.092 -4.416 -4.767 1.00 0.00 C ATOM 1444 C ILE A 110 5.270 -5.448 -5.872 1.00 0.00 C ATOM 1445 O ILE A 110 4.699 -5.308 -6.952 1.00 0.00 O ATOM 1446 CB ILE A 110 4.186 -4.955 -3.664 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.348 -3.815 -3.091 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.041 -5.564 -2.556 1.00 0.00 C ATOM 1449 CD1 ILE A 110 2.850 -4.199 -1.700 1.00 0.00 C ATOM 0 H ILE A 110 3.607 -3.335 -5.759 1.00 0.00 H new ATOM 0 HA ILE A 110 6.071 -4.197 -4.340 1.00 0.00 H new ATOM 0 HB ILE A 110 3.527 -5.719 -4.076 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.943 -2.903 -3.037 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.503 -3.606 -3.747 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.394 -5.949 -1.768 1.00 0.00 H new ATOM 0 HG22 ILE A 110 5.640 -6.378 -2.964 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.700 -4.800 -2.144 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.252 -3.385 -1.290 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.240 -5.100 -1.768 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.703 -4.387 -1.047 1.00 0.00 H new ATOM 1461 N SER A 111 6.063 -6.486 -5.600 1.00 0.00 N ATOM 1462 CA SER A 111 6.310 -7.533 -6.571 1.00 0.00 C ATOM 1463 C SER A 111 6.688 -8.822 -5.856 1.00 0.00 C ATOM 1464 O SER A 111 7.676 -8.863 -5.125 1.00 0.00 O ATOM 1465 CB SER A 111 7.421 -7.095 -7.520 1.00 0.00 C ATOM 1466 OG SER A 111 7.901 -8.215 -8.231 1.00 0.00 O ATOM 0 H SER A 111 6.543 -6.617 -4.710 1.00 0.00 H new ATOM 0 HA SER A 111 5.406 -7.715 -7.152 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.045 -6.344 -8.215 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.232 -6.632 -6.958 1.00 0.00 H new ATOM 0 HG SER A 111 8.614 -7.934 -8.842 1.00 0.00 H new ATOM 1472 N PHE A 112 5.900 -9.879 -6.068 1.00 0.00 N ATOM 1473 CA PHE A 112 6.159 -11.161 -5.444 1.00 0.00 C ATOM 1474 C PHE A 112 6.915 -12.062 -6.410 1.00 0.00 C ATOM 1475 O PHE A 112 6.484 -12.261 -7.543 1.00 0.00 O ATOM 1476 CB PHE A 112 4.836 -11.800 -5.031 1.00 0.00 C ATOM 1477 CG PHE A 112 3.976 -10.904 -4.171 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.164 -9.932 -4.766 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.989 -11.049 -2.779 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.366 -9.103 -3.969 1.00 0.00 C ATOM 1481 CE2 PHE A 112 3.191 -10.220 -1.982 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.379 -9.247 -2.577 1.00 0.00 C ATOM 0 H PHE A 112 5.077 -9.863 -6.670 1.00 0.00 H new ATOM 0 HA PHE A 112 6.773 -11.020 -4.555 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.279 -12.074 -5.927 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.041 -12.723 -4.488 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.153 -9.821 -5.840 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.615 -11.800 -2.320 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.740 -8.352 -4.428 1.00 0.00 H new ATOM 0 HE2 PHE A 112 3.202 -10.331 -0.908 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.763 -8.608 -1.962 1.00 0.00 H new ATOM 1492 N ASN A 113 8.047 -12.608 -5.958 1.00 0.00 N ATOM 1493 CA ASN A 113 8.854 -13.484 -6.783 1.00 0.00 C ATOM 1494 C ASN A 113 9.289 -12.752 -8.045 1.00 0.00 C ATOM 1495 O ASN A 113 10.368 -12.164 -8.084 1.00 0.00 O ATOM 1496 CB ASN A 113 8.051 -14.733 -7.133 1.00 0.00 C ATOM 1497 CG ASN A 113 7.728 -15.539 -5.882 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.446 -16.477 -5.543 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.645 -15.170 -5.195 1.00 0.00 N ATOM 0 H ASN A 113 8.419 -12.453 -5.021 1.00 0.00 H new ATOM 0 HA ASN A 113 9.748 -13.783 -6.235 1.00 0.00 H new ATOM 0 HB2 ASN A 113 7.127 -14.447 -7.635 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.616 -15.350 -7.832 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.382 -15.674 -4.348 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.080 -14.384 -5.517 1.00 0.00 H new TER 1506 ASN A 113