USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 819 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 12 THR OG1 : rot 33:sc= 0.378 USER MOD Set 1.2: A 32 SER OG : rot -98:sc= 0.169 USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0362 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00539 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -57:sc= 0.383 USER MOD Single : A 17 GLN :FLIP amide:sc= 0.158 F(o=-1.2,f=0.16) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -26:sc= 0.307 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.713 USER MOD Single : A 28 ASN :FLIP amide:sc= -3.23! C(o=-4.6!,f=-3.2!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -1.75 K(o=-1.8,f=-2.8!) USER MOD Single : A 45 GLN : amide:sc=-0.00553 K(o=-0.0055,f=-0.9) USER MOD Single : A 46 THR OG1 : rot 167:sc= 0.0873 USER MOD Single : A 49 ASN : amide:sc= -0.285 K(o=-0.28,f=-3.1!) USER MOD Single : A 50 THR OG1 : rot 119:sc= 1.23 USER MOD Single : A 51 TYR OH : rot 53:sc= 1.06 USER MOD Single : A 53 ASN : amide:sc= -0.0888 K(o=-0.089,f=-2.1!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 11:sc= -0.105 USER MOD Single : A 59 MET CE :methyl 159:sc= -0.0905 (180deg=-0.584) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.292 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -0.209 X(o=-0.21,f=-0.22) USER MOD Single : A 100 SER OG : rot -4:sc= 1.03 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.151 -1.692 -14.412 1.00 0.00 N ATOM 2 CA GLY A 1 -12.402 -2.902 -14.699 1.00 0.00 C ATOM 3 C GLY A 1 -12.933 -4.105 -13.944 1.00 0.00 C ATOM 4 O GLY A 1 -13.501 -3.965 -12.861 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.715 -1.427 -15.245 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.784 -1.859 -13.604 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.491 -0.922 -14.181 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.439 -3.103 -15.770 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.355 -2.747 -14.440 1.00 0.00 H new ATOM 8 N SER A 2 -12.748 -5.290 -14.517 1.00 0.00 N ATOM 9 CA SER A 2 -13.217 -6.522 -13.893 1.00 0.00 C ATOM 10 C SER A 2 -12.054 -7.297 -13.279 1.00 0.00 C ATOM 11 O SER A 2 -11.513 -8.216 -13.894 1.00 0.00 O ATOM 12 CB SER A 2 -13.940 -7.395 -14.920 1.00 0.00 C ATOM 13 OG SER A 2 -15.151 -6.789 -15.341 1.00 0.00 O ATOM 0 H SER A 2 -12.277 -5.423 -15.412 1.00 0.00 H new ATOM 0 HA SER A 2 -13.914 -6.255 -13.098 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.293 -7.560 -15.782 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.150 -8.373 -14.487 1.00 0.00 H new ATOM 0 HG SER A 2 -15.594 -7.365 -15.998 1.00 0.00 H new ATOM 19 N SER A 3 -11.676 -6.918 -12.063 1.00 0.00 N ATOM 20 CA SER A 3 -10.575 -7.574 -11.366 1.00 0.00 C ATOM 21 C SER A 3 -11.092 -8.694 -10.467 1.00 0.00 C ATOM 22 O SER A 3 -12.245 -8.680 -10.039 1.00 0.00 O ATOM 23 CB SER A 3 -9.793 -6.557 -10.533 1.00 0.00 C ATOM 24 OG SER A 3 -8.725 -7.179 -9.840 1.00 0.00 O ATOM 0 H SER A 3 -12.115 -6.161 -11.540 1.00 0.00 H new ATOM 0 HA SER A 3 -9.911 -8.008 -12.114 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.402 -5.774 -11.183 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.462 -6.075 -9.820 1.00 0.00 H new ATOM 0 HG SER A 3 -8.240 -6.508 -9.316 1.00 0.00 H new ATOM 30 N GLY A 4 -10.227 -9.664 -10.186 1.00 0.00 N ATOM 31 CA GLY A 4 -10.613 -10.779 -9.340 1.00 0.00 C ATOM 32 C GLY A 4 -10.295 -10.535 -7.879 1.00 0.00 C ATOM 33 O GLY A 4 -9.348 -11.108 -7.339 1.00 0.00 O ATOM 0 H GLY A 4 -9.267 -9.698 -10.529 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.682 -10.962 -9.450 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.099 -11.680 -9.675 1.00 0.00 H new ATOM 37 N SER A 5 -11.086 -9.681 -7.237 1.00 0.00 N ATOM 38 CA SER A 5 -10.880 -9.359 -5.829 1.00 0.00 C ATOM 39 C SER A 5 -11.379 -10.489 -4.934 1.00 0.00 C ATOM 40 O SER A 5 -12.547 -10.518 -4.546 1.00 0.00 O ATOM 41 CB SER A 5 -11.597 -8.055 -5.473 1.00 0.00 C ATOM 42 OG SER A 5 -10.928 -7.375 -4.425 1.00 0.00 O ATOM 0 H SER A 5 -11.875 -9.200 -7.669 1.00 0.00 H new ATOM 0 HA SER A 5 -9.810 -9.234 -5.663 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.649 -7.413 -6.352 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.623 -8.270 -5.174 1.00 0.00 H new ATOM 0 HG SER A 5 -11.405 -6.544 -4.217 1.00 0.00 H new ATOM 48 N SER A 6 -10.486 -11.418 -4.611 1.00 0.00 N ATOM 49 CA SER A 6 -10.835 -12.553 -3.765 1.00 0.00 C ATOM 50 C SER A 6 -10.648 -12.209 -2.290 1.00 0.00 C ATOM 51 O SER A 6 -9.727 -11.481 -1.923 1.00 0.00 O ATOM 52 CB SER A 6 -9.982 -13.769 -4.129 1.00 0.00 C ATOM 53 OG SER A 6 -10.483 -14.416 -5.285 1.00 0.00 O ATOM 0 H SER A 6 -9.515 -11.407 -4.922 1.00 0.00 H new ATOM 0 HA SER A 6 -11.885 -12.791 -3.934 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.952 -13.456 -4.301 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.967 -14.470 -3.294 1.00 0.00 H new ATOM 0 HG SER A 6 -9.919 -15.189 -5.498 1.00 0.00 H new ATOM 59 N GLY A 7 -11.531 -12.740 -1.449 1.00 0.00 N ATOM 60 CA GLY A 7 -11.447 -12.478 -0.024 1.00 0.00 C ATOM 61 C GLY A 7 -12.740 -12.793 0.701 1.00 0.00 C ATOM 62 O GLY A 7 -13.828 -12.565 0.171 1.00 0.00 O ATOM 0 H GLY A 7 -12.302 -13.346 -1.729 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.640 -13.072 0.404 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.191 -11.431 0.135 1.00 0.00 H new ATOM 66 N ARG A 8 -12.623 -13.322 1.915 1.00 0.00 N ATOM 67 CA ARG A 8 -13.793 -13.672 2.712 1.00 0.00 C ATOM 68 C ARG A 8 -13.695 -13.075 4.112 1.00 0.00 C ATOM 69 O ARG A 8 -12.655 -12.540 4.499 1.00 0.00 O ATOM 70 CB ARG A 8 -13.938 -15.192 2.803 1.00 0.00 C ATOM 71 CG ARG A 8 -12.709 -15.889 3.365 1.00 0.00 C ATOM 72 CD ARG A 8 -13.052 -17.264 3.916 1.00 0.00 C ATOM 73 NE ARG A 8 -11.984 -17.798 4.758 1.00 0.00 N ATOM 74 CZ ARG A 8 -10.899 -18.394 4.277 1.00 0.00 C ATOM 75 NH1 ARG A 8 -10.738 -18.530 2.968 1.00 0.00 N ATOM 76 NH2 ARG A 8 -9.971 -18.854 5.107 1.00 0.00 N ATOM 0 H ARG A 8 -11.730 -13.518 2.368 1.00 0.00 H new ATOM 0 HA ARG A 8 -14.674 -13.259 2.220 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -14.798 -15.430 3.429 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -14.148 -15.589 1.810 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.955 -15.987 2.584 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -12.272 -15.278 4.155 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -13.974 -17.203 4.495 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -13.239 -17.949 3.089 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.077 -17.708 5.770 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -11.449 -18.176 2.327 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.904 -18.988 2.602 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -10.091 -18.750 6.115 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.138 -19.312 4.737 1.00 0.00 H new ATOM 90 N ASP A 9 -14.784 -13.170 4.868 1.00 0.00 N ATOM 91 CA ASP A 9 -14.821 -12.640 6.226 1.00 0.00 C ATOM 92 C ASP A 9 -15.273 -13.709 7.214 1.00 0.00 C ATOM 93 O ASP A 9 -16.254 -14.414 6.976 1.00 0.00 O ATOM 94 CB ASP A 9 -15.756 -11.431 6.299 1.00 0.00 C ATOM 95 CG ASP A 9 -17.211 -11.814 6.117 1.00 0.00 C ATOM 96 OD1 ASP A 9 -17.525 -12.497 5.120 1.00 0.00 O ATOM 97 OD2 ASP A 9 -18.037 -11.431 6.972 1.00 0.00 O ATOM 0 H ASP A 9 -15.653 -13.609 4.563 1.00 0.00 H new ATOM 0 HA ASP A 9 -13.812 -12.326 6.495 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -15.631 -10.936 7.262 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -15.474 -10.710 5.531 1.00 0.00 H new ATOM 102 N ARG A 10 -14.551 -13.826 8.324 1.00 0.00 N ATOM 103 CA ARG A 10 -14.877 -14.811 9.348 1.00 0.00 C ATOM 104 C ARG A 10 -14.924 -14.165 10.729 1.00 0.00 C ATOM 105 O ARG A 10 -14.314 -14.659 11.677 1.00 0.00 O ATOM 106 CB ARG A 10 -13.852 -15.946 9.338 1.00 0.00 C ATOM 107 CG ARG A 10 -14.287 -17.167 10.132 1.00 0.00 C ATOM 108 CD ARG A 10 -13.667 -18.441 9.579 1.00 0.00 C ATOM 109 NE ARG A 10 -13.897 -19.587 10.456 1.00 0.00 N ATOM 110 CZ ARG A 10 -13.246 -20.739 10.345 1.00 0.00 C ATOM 111 NH1 ARG A 10 -12.329 -20.898 9.401 1.00 0.00 N ATOM 112 NH2 ARG A 10 -13.510 -21.735 11.181 1.00 0.00 N ATOM 0 H ARG A 10 -13.736 -13.250 8.537 1.00 0.00 H new ATOM 0 HA ARG A 10 -15.863 -15.219 9.124 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.661 -16.243 8.307 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.910 -15.577 9.743 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -13.999 -17.045 11.176 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -15.374 -17.250 10.108 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -14.084 -18.649 8.594 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.595 -18.295 9.447 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.596 -19.497 11.194 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.122 -20.134 8.757 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.831 -21.784 9.318 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.214 -21.616 11.910 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.009 -22.619 11.095 1.00 0.00 H new ATOM 126 N SER A 11 -15.651 -13.058 10.835 1.00 0.00 N ATOM 127 CA SER A 11 -15.774 -12.341 12.099 1.00 0.00 C ATOM 128 C SER A 11 -14.412 -11.850 12.579 1.00 0.00 C ATOM 129 O SER A 11 -14.084 -11.949 13.762 1.00 0.00 O ATOM 130 CB SER A 11 -16.408 -13.242 13.161 1.00 0.00 C ATOM 131 OG SER A 11 -16.714 -12.510 14.334 1.00 0.00 O ATOM 0 H SER A 11 -16.164 -12.637 10.060 1.00 0.00 H new ATOM 0 HA SER A 11 -16.416 -11.475 11.937 1.00 0.00 H new ATOM 0 HB2 SER A 11 -17.317 -13.694 12.763 1.00 0.00 H new ATOM 0 HB3 SER A 11 -15.727 -14.057 13.405 1.00 0.00 H new ATOM 0 HG SER A 11 -15.899 -12.087 14.678 1.00 0.00 H new ATOM 137 N THR A 12 -13.620 -11.320 11.652 1.00 0.00 N ATOM 138 CA THR A 12 -12.293 -10.814 11.979 1.00 0.00 C ATOM 139 C THR A 12 -11.973 -9.555 11.181 1.00 0.00 C ATOM 140 O THR A 12 -11.876 -9.595 9.954 1.00 0.00 O ATOM 141 CB THR A 12 -11.206 -11.871 11.707 1.00 0.00 C ATOM 142 OG1 THR A 12 -11.365 -12.410 10.390 1.00 0.00 O ATOM 143 CG2 THR A 12 -11.276 -12.994 12.731 1.00 0.00 C ATOM 0 H THR A 12 -13.875 -11.230 10.668 1.00 0.00 H new ATOM 0 HA THR A 12 -12.299 -10.575 13.042 1.00 0.00 H new ATOM 0 HB THR A 12 -10.232 -11.388 11.786 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.715 -11.716 9.793 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.499 -13.729 12.519 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.126 -12.585 13.730 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.253 -13.474 12.678 1.00 0.00 H new ATOM 151 N ILE A 13 -11.808 -8.440 11.884 1.00 0.00 N ATOM 152 CA ILE A 13 -11.497 -7.170 11.240 1.00 0.00 C ATOM 153 C ILE A 13 -10.077 -6.720 11.570 1.00 0.00 C ATOM 154 O ILE A 13 -9.494 -7.152 12.563 1.00 0.00 O ATOM 155 CB ILE A 13 -12.484 -6.067 11.663 1.00 0.00 C ATOM 156 CG1 ILE A 13 -13.926 -6.554 11.503 1.00 0.00 C ATOM 157 CG2 ILE A 13 -12.252 -4.805 10.845 1.00 0.00 C ATOM 158 CD1 ILE A 13 -14.344 -6.740 10.062 1.00 0.00 C ATOM 0 H ILE A 13 -11.884 -8.390 12.900 1.00 0.00 H new ATOM 0 HA ILE A 13 -11.585 -7.331 10.166 1.00 0.00 H new ATOM 0 HB ILE A 13 -12.314 -5.832 12.714 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -14.042 -7.500 12.032 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.597 -5.839 11.978 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -12.958 -4.035 11.156 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.234 -4.450 11.005 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.398 -5.025 9.787 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -15.377 -7.086 10.025 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -14.260 -5.790 9.533 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.697 -7.478 9.588 1.00 0.00 H new ATOM 170 N ALA A 14 -9.529 -5.849 10.730 1.00 0.00 N ATOM 171 CA ALA A 14 -8.179 -5.337 10.934 1.00 0.00 C ATOM 172 C ALA A 14 -8.167 -3.812 10.949 1.00 0.00 C ATOM 173 O ALA A 14 -8.893 -3.169 10.191 1.00 0.00 O ATOM 174 CB ALA A 14 -7.246 -5.864 9.854 1.00 0.00 C ATOM 0 H ALA A 14 -9.999 -5.483 9.902 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.827 -5.686 11.905 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.242 -5.474 10.019 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.223 -6.953 9.893 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.604 -5.543 8.876 1.00 0.00 H new ATOM 180 N ARG A 15 -7.338 -3.240 11.816 1.00 0.00 N ATOM 181 CA ARG A 15 -7.234 -1.790 11.930 1.00 0.00 C ATOM 182 C ARG A 15 -5.939 -1.287 11.297 1.00 0.00 C ATOM 183 O ARG A 15 -4.870 -1.365 11.903 1.00 0.00 O ATOM 184 CB ARG A 15 -7.293 -1.368 13.399 1.00 0.00 C ATOM 185 CG ARG A 15 -8.701 -1.074 13.892 1.00 0.00 C ATOM 186 CD ARG A 15 -8.698 -0.606 15.339 1.00 0.00 C ATOM 187 NE ARG A 15 -10.026 -0.686 15.942 1.00 0.00 N ATOM 188 CZ ARG A 15 -10.378 -0.017 17.034 1.00 0.00 C ATOM 189 NH1 ARG A 15 -9.507 0.778 17.639 1.00 0.00 N ATOM 190 NH2 ARG A 15 -11.606 -0.142 17.523 1.00 0.00 N ATOM 0 H ARG A 15 -6.729 -3.758 12.449 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.075 -1.347 11.397 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.860 -2.158 14.013 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.676 -0.481 13.539 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.156 -0.310 13.262 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.315 -1.970 13.799 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.001 -1.214 15.915 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.339 0.422 15.387 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.721 -1.288 15.500 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.563 0.878 17.266 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.781 1.290 18.477 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -12.280 -0.752 17.060 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.876 0.372 18.362 1.00 0.00 H new ATOM 204 N ILE A 16 -6.045 -0.772 10.077 1.00 0.00 N ATOM 205 CA ILE A 16 -4.884 -0.257 9.363 1.00 0.00 C ATOM 206 C ILE A 16 -4.916 1.266 9.288 1.00 0.00 C ATOM 207 O ILE A 16 -5.853 1.850 8.743 1.00 0.00 O ATOM 208 CB ILE A 16 -4.801 -0.828 7.935 1.00 0.00 C ATOM 209 CG1 ILE A 16 -5.146 -2.319 7.938 1.00 0.00 C ATOM 210 CG2 ILE A 16 -3.414 -0.601 7.353 1.00 0.00 C ATOM 211 CD1 ILE A 16 -4.107 -3.178 8.625 1.00 0.00 C ATOM 0 H ILE A 16 -6.923 -0.700 9.563 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.004 -0.573 9.923 1.00 0.00 H new ATOM 0 HB ILE A 16 -5.526 -0.308 7.309 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.107 -2.460 8.432 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.264 -2.659 6.909 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.372 -1.010 6.344 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.204 0.468 7.320 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.672 -1.098 7.977 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.417 -4.222 8.589 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.149 -3.066 8.117 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.005 -2.865 9.664 1.00 0.00 H new ATOM 223 N GLN A 17 -3.887 1.902 9.837 1.00 0.00 N ATOM 224 CA GLN A 17 -3.797 3.358 9.831 1.00 0.00 C ATOM 225 C GLN A 17 -2.958 3.847 8.655 1.00 0.00 C ATOM 226 O GLN A 17 -1.898 3.292 8.362 1.00 0.00 O ATOM 227 CB GLN A 17 -3.196 3.858 11.145 1.00 0.00 C ATOM 228 CG GLN A 17 -3.485 5.324 11.427 1.00 0.00 C ATOM 229 CD GLN A 17 -2.823 5.815 12.699 1.00 0.00 C ATOM 230 OE1 GLN A 17 -1.958 6.813 12.569 1.00 0.00 O flip ATOM 231 NE2 GLN A 17 -3.087 5.302 13.787 1.00 0.00 N flip ATOM 0 H GLN A 17 -3.104 1.433 10.292 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.805 3.759 9.725 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.585 3.255 11.966 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.117 3.707 11.122 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.140 5.927 10.587 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.563 5.470 11.503 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.759 4.536 13.840 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.634 5.643 14.635 1.00 0.00 H new ATOM 240 N PHE A 18 -3.438 4.889 7.984 1.00 0.00 N ATOM 241 CA PHE A 18 -2.732 5.452 6.839 1.00 0.00 C ATOM 242 C PHE A 18 -2.281 6.881 7.127 1.00 0.00 C ATOM 243 O PHE A 18 -3.098 7.799 7.196 1.00 0.00 O ATOM 244 CB PHE A 18 -3.628 5.428 5.599 1.00 0.00 C ATOM 245 CG PHE A 18 -3.864 4.047 5.057 1.00 0.00 C ATOM 246 CD1 PHE A 18 -2.937 3.449 4.219 1.00 0.00 C ATOM 247 CD2 PHE A 18 -5.014 3.347 5.385 1.00 0.00 C ATOM 248 CE1 PHE A 18 -3.152 2.179 3.719 1.00 0.00 C ATOM 249 CE2 PHE A 18 -5.235 2.077 4.888 1.00 0.00 C ATOM 250 CZ PHE A 18 -4.302 1.492 4.054 1.00 0.00 C ATOM 0 H PHE A 18 -4.313 5.361 8.213 1.00 0.00 H new ATOM 0 HA PHE A 18 -1.848 4.842 6.652 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.588 5.882 5.845 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.175 6.043 4.821 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.036 3.982 3.953 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.746 3.800 6.037 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.421 1.724 3.067 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.136 1.542 5.151 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.472 0.499 3.665 1.00 0.00 H new ATOM 260 N ARG A 19 -0.975 7.060 7.295 1.00 0.00 N ATOM 261 CA ARG A 19 -0.415 8.376 7.577 1.00 0.00 C ATOM 262 C ARG A 19 0.011 9.074 6.289 1.00 0.00 C ATOM 263 O ARG A 19 0.628 8.464 5.414 1.00 0.00 O ATOM 264 CB ARG A 19 0.782 8.252 8.522 1.00 0.00 C ATOM 265 CG ARG A 19 0.409 7.783 9.919 1.00 0.00 C ATOM 266 CD ARG A 19 1.372 8.323 10.964 1.00 0.00 C ATOM 267 NE ARG A 19 1.162 9.746 11.219 1.00 0.00 N ATOM 268 CZ ARG A 19 0.251 10.214 12.064 1.00 0.00 C ATOM 269 NH1 ARG A 19 -0.530 9.377 12.733 1.00 0.00 N ATOM 270 NH2 ARG A 19 0.119 11.523 12.242 1.00 0.00 N ATOM 0 H ARG A 19 -0.285 6.311 7.241 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.188 8.977 8.056 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.502 7.554 8.094 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.280 9.219 8.593 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.604 8.108 10.154 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.410 6.693 9.950 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.248 7.766 11.893 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.397 8.162 10.630 1.00 0.00 H new ATOM 0 HE ARG A 19 1.747 10.417 10.721 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.432 8.371 12.599 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.229 9.740 13.381 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.718 12.170 11.729 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.581 11.881 12.891 1.00 0.00 H new ATOM 284 N LEU A 20 -0.322 10.355 6.178 1.00 0.00 N ATOM 285 CA LEU A 20 0.025 11.136 4.996 1.00 0.00 C ATOM 286 C LEU A 20 1.087 12.180 5.326 1.00 0.00 C ATOM 287 O LEU A 20 1.198 12.652 6.457 1.00 0.00 O ATOM 288 CB LEU A 20 -1.220 11.820 4.429 1.00 0.00 C ATOM 289 CG LEU A 20 -2.243 10.903 3.756 1.00 0.00 C ATOM 290 CD1 LEU A 20 -3.479 11.690 3.350 1.00 0.00 C ATOM 291 CD2 LEU A 20 -1.627 10.214 2.548 1.00 0.00 C ATOM 0 H LEU A 20 -0.832 10.875 6.892 1.00 0.00 H new ATOM 0 HA LEU A 20 0.431 10.456 4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.718 12.353 5.239 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.900 12.568 3.704 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.544 10.138 4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.196 11.021 2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.933 12.137 4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.196 12.477 2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.369 9.566 2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.298 10.965 1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.772 9.617 2.866 1.00 0.00 H new ATOM 303 N PRO A 21 1.886 12.552 4.314 1.00 0.00 N ATOM 304 CA PRO A 21 2.951 13.546 4.472 1.00 0.00 C ATOM 305 C PRO A 21 2.404 14.953 4.687 1.00 0.00 C ATOM 306 O PRO A 21 3.135 15.859 5.089 1.00 0.00 O ATOM 307 CB PRO A 21 3.711 13.465 3.145 1.00 0.00 C ATOM 308 CG PRO A 21 2.711 12.954 2.167 1.00 0.00 C ATOM 309 CD PRO A 21 1.809 12.031 2.939 1.00 0.00 C ATOM 0 HA PRO A 21 3.569 13.345 5.347 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.093 14.442 2.847 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.569 12.797 3.220 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.144 13.773 1.725 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.200 12.426 1.348 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.788 12.054 2.557 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.148 10.997 2.881 1.00 0.00 H new ATOM 317 N ASP A 22 1.116 15.130 4.416 1.00 0.00 N ATOM 318 CA ASP A 22 0.470 16.427 4.582 1.00 0.00 C ATOM 319 C ASP A 22 0.204 16.717 6.056 1.00 0.00 C ATOM 320 O ASP A 22 0.403 17.838 6.523 1.00 0.00 O ATOM 321 CB ASP A 22 -0.841 16.472 3.796 1.00 0.00 C ATOM 322 CG ASP A 22 -0.618 16.481 2.297 1.00 0.00 C ATOM 323 OD1 ASP A 22 0.456 16.945 1.859 1.00 0.00 O ATOM 324 OD2 ASP A 22 -1.516 16.022 1.560 1.00 0.00 O ATOM 0 H ASP A 22 0.498 14.391 4.080 1.00 0.00 H new ATOM 0 HA ASP A 22 1.143 17.192 4.195 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.452 15.610 4.064 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.402 17.362 4.082 1.00 0.00 H new ATOM 329 N GLY A 23 -0.248 15.700 6.782 1.00 0.00 N ATOM 330 CA GLY A 23 -0.534 15.867 8.195 1.00 0.00 C ATOM 331 C GLY A 23 -1.708 15.024 8.652 1.00 0.00 C ATOM 332 O GLY A 23 -1.689 14.462 9.747 1.00 0.00 O ATOM 0 H GLY A 23 -0.421 14.763 6.417 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.349 15.600 8.775 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.744 16.917 8.399 1.00 0.00 H new ATOM 336 N SER A 24 -2.735 14.937 7.812 1.00 0.00 N ATOM 337 CA SER A 24 -3.926 14.161 8.138 1.00 0.00 C ATOM 338 C SER A 24 -3.677 12.670 7.929 1.00 0.00 C ATOM 339 O SER A 24 -2.623 12.269 7.436 1.00 0.00 O ATOM 340 CB SER A 24 -5.108 14.617 7.281 1.00 0.00 C ATOM 341 OG SER A 24 -5.585 15.883 7.704 1.00 0.00 O ATOM 0 H SER A 24 -2.766 15.394 6.901 1.00 0.00 H new ATOM 0 HA SER A 24 -4.162 14.329 9.189 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.804 14.670 6.235 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.911 13.883 7.343 1.00 0.00 H new ATOM 0 HG SER A 24 -6.339 16.154 7.140 1.00 0.00 H new ATOM 347 N SER A 25 -4.655 11.854 8.308 1.00 0.00 N ATOM 348 CA SER A 25 -4.542 10.407 8.166 1.00 0.00 C ATOM 349 C SER A 25 -5.922 9.756 8.123 1.00 0.00 C ATOM 350 O SER A 25 -6.920 10.364 8.512 1.00 0.00 O ATOM 351 CB SER A 25 -3.726 9.823 9.319 1.00 0.00 C ATOM 352 OG SER A 25 -2.497 10.511 9.475 1.00 0.00 O ATOM 0 H SER A 25 -5.535 12.170 8.716 1.00 0.00 H new ATOM 0 HA SER A 25 -4.031 10.197 7.226 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.301 9.885 10.243 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.534 8.766 9.134 1.00 0.00 H new ATOM 0 HG SER A 25 -2.229 10.900 8.616 1.00 0.00 H new ATOM 358 N PHE A 26 -5.969 8.516 7.647 1.00 0.00 N ATOM 359 CA PHE A 26 -7.225 7.782 7.552 1.00 0.00 C ATOM 360 C PHE A 26 -7.019 6.307 7.883 1.00 0.00 C ATOM 361 O PHE A 26 -5.999 5.715 7.529 1.00 0.00 O ATOM 362 CB PHE A 26 -7.818 7.923 6.148 1.00 0.00 C ATOM 363 CG PHE A 26 -6.862 7.546 5.053 1.00 0.00 C ATOM 364 CD1 PHE A 26 -6.777 6.236 4.610 1.00 0.00 C ATOM 365 CD2 PHE A 26 -6.047 8.501 4.468 1.00 0.00 C ATOM 366 CE1 PHE A 26 -5.899 5.885 3.602 1.00 0.00 C ATOM 367 CE2 PHE A 26 -5.167 8.157 3.459 1.00 0.00 C ATOM 368 CZ PHE A 26 -5.092 6.847 3.027 1.00 0.00 C ATOM 0 H PHE A 26 -5.152 7.999 7.321 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.920 8.206 8.277 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.708 7.298 6.074 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.139 8.954 6.000 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.405 5.480 5.058 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.100 9.526 4.804 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.844 4.861 3.265 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.539 8.911 3.009 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.403 6.576 2.241 1.00 0.00 H new ATOM 378 N THR A 27 -7.995 5.718 8.567 1.00 0.00 N ATOM 379 CA THR A 27 -7.922 4.313 8.949 1.00 0.00 C ATOM 380 C THR A 27 -9.153 3.549 8.474 1.00 0.00 C ATOM 381 O THR A 27 -10.250 3.735 8.998 1.00 0.00 O ATOM 382 CB THR A 27 -7.788 4.152 10.475 1.00 0.00 C ATOM 383 OG1 THR A 27 -6.730 4.983 10.965 1.00 0.00 O ATOM 384 CG2 THR A 27 -7.513 2.702 10.844 1.00 0.00 C ATOM 0 H THR A 27 -8.846 6.193 8.868 1.00 0.00 H new ATOM 0 HA THR A 27 -7.035 3.901 8.469 1.00 0.00 H new ATOM 0 HB THR A 27 -8.729 4.455 10.934 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.653 4.876 11.936 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.422 2.613 11.927 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.335 2.076 10.496 1.00 0.00 H new ATOM 0 HG23 THR A 27 -6.585 2.377 10.374 1.00 0.00 H new ATOM 392 N ASN A 28 -8.962 2.688 7.480 1.00 0.00 N ATOM 393 CA ASN A 28 -10.058 1.896 6.935 1.00 0.00 C ATOM 394 C ASN A 28 -10.159 0.548 7.642 1.00 0.00 C ATOM 395 O ASN A 28 -9.311 0.204 8.466 1.00 0.00 O ATOM 396 CB ASN A 28 -9.863 1.682 5.432 1.00 0.00 C ATOM 397 CG ASN A 28 -11.091 1.091 4.768 1.00 0.00 C ATOM 398 OD1 ASN A 28 -12.145 1.891 4.654 1.00 0.00 O flip ATOM 399 ND2 ASN A 28 -11.092 -0.071 4.361 1.00 0.00 N flip ATOM 0 H ASN A 28 -8.059 2.521 7.036 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.986 2.444 7.100 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.621 2.635 4.961 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.012 1.021 5.269 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.259 -0.650 4.470 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.925 -0.455 3.915 1.00 0.00 H new ATOM 406 N GLN A 29 -11.200 -0.210 7.314 1.00 0.00 N ATOM 407 CA GLN A 29 -11.411 -1.520 7.919 1.00 0.00 C ATOM 408 C GLN A 29 -11.229 -2.631 6.889 1.00 0.00 C ATOM 409 O GLN A 29 -11.811 -2.587 5.805 1.00 0.00 O ATOM 410 CB GLN A 29 -12.809 -1.603 8.534 1.00 0.00 C ATOM 411 CG GLN A 29 -12.862 -1.158 9.986 1.00 0.00 C ATOM 412 CD GLN A 29 -14.244 -0.696 10.406 1.00 0.00 C ATOM 413 OE1 GLN A 29 -14.668 0.411 10.074 1.00 0.00 O ATOM 414 NE2 GLN A 29 -14.955 -1.545 11.139 1.00 0.00 N ATOM 0 H GLN A 29 -11.910 0.060 6.633 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.668 -1.653 8.705 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.492 -0.987 7.949 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.167 -2.630 8.464 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.549 -1.983 10.626 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.150 -0.347 10.140 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.564 -2.453 11.391 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.892 -1.289 11.450 1.00 0.00 H new ATOM 423 N PHE A 30 -10.418 -3.625 7.235 1.00 0.00 N ATOM 424 CA PHE A 30 -10.159 -4.747 6.340 1.00 0.00 C ATOM 425 C PHE A 30 -10.134 -6.063 7.111 1.00 0.00 C ATOM 426 O PHE A 30 -9.751 -6.120 8.280 1.00 0.00 O ATOM 427 CB PHE A 30 -8.830 -4.546 5.608 1.00 0.00 C ATOM 428 CG PHE A 30 -8.719 -3.214 4.923 1.00 0.00 C ATOM 429 CD1 PHE A 30 -9.380 -2.977 3.728 1.00 0.00 C ATOM 430 CD2 PHE A 30 -7.953 -2.199 5.473 1.00 0.00 C ATOM 431 CE1 PHE A 30 -9.280 -1.753 3.095 1.00 0.00 C ATOM 432 CE2 PHE A 30 -7.850 -0.972 4.844 1.00 0.00 C ATOM 433 CZ PHE A 30 -8.513 -0.749 3.653 1.00 0.00 C ATOM 0 H PHE A 30 -9.929 -3.677 8.129 1.00 0.00 H new ATOM 0 HA PHE A 30 -10.966 -4.790 5.609 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.012 -4.648 6.321 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.708 -5.337 4.868 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.980 -3.759 3.286 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.431 -2.368 6.403 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.801 -1.581 2.165 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.251 -0.188 5.284 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.432 0.208 3.159 1.00 0.00 H new ATOM 443 N PRO A 31 -10.553 -7.148 6.442 1.00 0.00 N ATOM 444 CA PRO A 31 -10.588 -8.484 7.044 1.00 0.00 C ATOM 445 C PRO A 31 -9.192 -9.050 7.283 1.00 0.00 C ATOM 446 O PRO A 31 -8.369 -9.102 6.369 1.00 0.00 O ATOM 447 CB PRO A 31 -11.334 -9.322 6.003 1.00 0.00 C ATOM 448 CG PRO A 31 -11.101 -8.617 4.711 1.00 0.00 C ATOM 449 CD PRO A 31 -11.024 -7.153 5.047 1.00 0.00 C ATOM 0 HA PRO A 31 -11.063 -8.476 8.025 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.954 -10.343 5.971 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -12.397 -9.385 6.234 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.179 -8.959 4.241 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -11.910 -8.814 4.007 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.335 -6.625 4.388 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.994 -6.666 4.949 1.00 0.00 H new ATOM 457 N SER A 32 -8.933 -9.472 8.516 1.00 0.00 N ATOM 458 CA SER A 32 -7.635 -10.031 8.875 1.00 0.00 C ATOM 459 C SER A 32 -7.052 -10.838 7.719 1.00 0.00 C ATOM 460 O SER A 32 -5.840 -10.849 7.504 1.00 0.00 O ATOM 461 CB SER A 32 -7.763 -10.916 10.117 1.00 0.00 C ATOM 462 OG SER A 32 -8.287 -12.189 9.783 1.00 0.00 O ATOM 0 H SER A 32 -9.604 -9.438 9.283 1.00 0.00 H new ATOM 0 HA SER A 32 -6.959 -9.204 9.095 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.786 -11.033 10.587 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.412 -10.432 10.847 1.00 0.00 H new ATOM 0 HG SER A 32 -9.251 -12.203 9.959 1.00 0.00 H new ATOM 468 N ASP A 33 -7.924 -11.513 6.979 1.00 0.00 N ATOM 469 CA ASP A 33 -7.498 -12.323 5.844 1.00 0.00 C ATOM 470 C ASP A 33 -6.933 -11.445 4.731 1.00 0.00 C ATOM 471 O ASP A 33 -5.875 -11.735 4.175 1.00 0.00 O ATOM 472 CB ASP A 33 -8.669 -13.150 5.312 1.00 0.00 C ATOM 473 CG ASP A 33 -9.949 -12.344 5.211 1.00 0.00 C ATOM 474 OD1 ASP A 33 -10.063 -11.526 4.274 1.00 0.00 O ATOM 475 OD2 ASP A 33 -10.837 -12.532 6.068 1.00 0.00 O ATOM 0 H ASP A 33 -8.930 -11.515 7.145 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.712 -12.997 6.185 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.414 -13.545 4.329 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.833 -14.006 5.967 1.00 0.00 H new ATOM 480 N ALA A 34 -7.648 -10.371 4.411 1.00 0.00 N ATOM 481 CA ALA A 34 -7.218 -9.450 3.366 1.00 0.00 C ATOM 482 C ALA A 34 -5.720 -9.178 3.457 1.00 0.00 C ATOM 483 O ALA A 34 -5.206 -8.739 4.486 1.00 0.00 O ATOM 484 CB ALA A 34 -8.000 -8.148 3.455 1.00 0.00 C ATOM 0 H ALA A 34 -8.528 -10.117 4.861 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.418 -9.915 2.401 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.668 -7.470 2.669 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -9.063 -8.353 3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.829 -7.687 4.428 1.00 0.00 H new ATOM 490 N PRO A 35 -5.001 -9.444 2.357 1.00 0.00 N ATOM 491 CA PRO A 35 -3.552 -9.235 2.288 1.00 0.00 C ATOM 492 C PRO A 35 -3.179 -7.756 2.293 1.00 0.00 C ATOM 493 O PRO A 35 -3.931 -6.914 1.801 1.00 0.00 O ATOM 494 CB PRO A 35 -3.163 -9.880 0.956 1.00 0.00 C ATOM 495 CG PRO A 35 -4.403 -9.823 0.131 1.00 0.00 C ATOM 496 CD PRO A 35 -5.548 -9.970 1.095 1.00 0.00 C ATOM 0 HA PRO A 35 -3.037 -9.661 3.149 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.345 -9.340 0.479 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.828 -10.908 1.097 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.468 -8.880 -0.411 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.414 -10.620 -0.613 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.422 -9.406 0.770 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.859 -11.010 1.194 1.00 0.00 H new ATOM 504 N LEU A 36 -2.013 -7.447 2.850 1.00 0.00 N ATOM 505 CA LEU A 36 -1.540 -6.069 2.919 1.00 0.00 C ATOM 506 C LEU A 36 -1.958 -5.287 1.677 1.00 0.00 C ATOM 507 O LEU A 36 -2.413 -4.148 1.775 1.00 0.00 O ATOM 508 CB LEU A 36 -0.017 -6.039 3.065 1.00 0.00 C ATOM 509 CG LEU A 36 0.575 -4.760 3.658 1.00 0.00 C ATOM 510 CD1 LEU A 36 2.083 -4.731 3.466 1.00 0.00 C ATOM 511 CD2 LEU A 36 -0.068 -3.533 3.029 1.00 0.00 C ATOM 0 H LEU A 36 -1.378 -8.132 3.260 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.993 -5.599 3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.285 -6.879 3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.426 -6.199 2.082 1.00 0.00 H new ATOM 0 HG LEU A 36 0.365 -4.747 4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.487 -3.814 3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.530 -5.591 3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.315 -4.767 2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.366 -2.632 3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.110 -3.540 1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.141 -3.547 3.219 1.00 0.00 H new ATOM 523 N GLU A 37 -1.803 -5.909 0.513 1.00 0.00 N ATOM 524 CA GLU A 37 -2.166 -5.271 -0.747 1.00 0.00 C ATOM 525 C GLU A 37 -3.480 -4.506 -0.611 1.00 0.00 C ATOM 526 O GLU A 37 -3.546 -3.311 -0.895 1.00 0.00 O ATOM 527 CB GLU A 37 -2.284 -6.316 -1.858 1.00 0.00 C ATOM 528 CG GLU A 37 -2.164 -5.734 -3.257 1.00 0.00 C ATOM 529 CD GLU A 37 -2.312 -6.784 -4.341 1.00 0.00 C ATOM 530 OE1 GLU A 37 -1.420 -7.650 -4.453 1.00 0.00 O ATOM 531 OE2 GLU A 37 -3.320 -6.740 -5.076 1.00 0.00 O ATOM 0 H GLU A 37 -1.429 -6.853 0.416 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.379 -4.563 -1.006 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.509 -7.070 -1.720 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.244 -6.825 -1.766 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.926 -4.966 -3.394 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.196 -5.244 -3.361 1.00 0.00 H new ATOM 538 N GLU A 38 -4.522 -5.206 -0.175 1.00 0.00 N ATOM 539 CA GLU A 38 -5.835 -4.594 -0.002 1.00 0.00 C ATOM 540 C GLU A 38 -5.709 -3.204 0.616 1.00 0.00 C ATOM 541 O GLU A 38 -6.327 -2.248 0.149 1.00 0.00 O ATOM 542 CB GLU A 38 -6.722 -5.477 0.877 1.00 0.00 C ATOM 543 CG GLU A 38 -7.362 -6.634 0.128 1.00 0.00 C ATOM 544 CD GLU A 38 -8.121 -6.183 -1.105 1.00 0.00 C ATOM 545 OE1 GLU A 38 -9.267 -5.709 -0.957 1.00 0.00 O ATOM 546 OE2 GLU A 38 -7.567 -6.303 -2.218 1.00 0.00 O ATOM 0 H GLU A 38 -4.483 -6.197 0.065 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.295 -4.496 -0.985 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.125 -5.873 1.699 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.507 -4.863 1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.589 -7.344 -0.166 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.043 -7.162 0.796 1.00 0.00 H new ATOM 553 N ALA A 39 -4.905 -3.102 1.669 1.00 0.00 N ATOM 554 CA ALA A 39 -4.697 -1.830 2.350 1.00 0.00 C ATOM 555 C ALA A 39 -4.134 -0.782 1.397 1.00 0.00 C ATOM 556 O ALA A 39 -4.600 0.357 1.366 1.00 0.00 O ATOM 557 CB ALA A 39 -3.770 -2.016 3.542 1.00 0.00 C ATOM 0 H ALA A 39 -4.387 -3.885 2.069 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.664 -1.475 2.707 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.623 -1.058 4.042 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.214 -2.725 4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.808 -2.398 3.199 1.00 0.00 H new ATOM 563 N ARG A 40 -3.129 -1.174 0.621 1.00 0.00 N ATOM 564 CA ARG A 40 -2.501 -0.268 -0.332 1.00 0.00 C ATOM 565 C ARG A 40 -3.513 0.226 -1.362 1.00 0.00 C ATOM 566 O ARG A 40 -3.564 1.415 -1.674 1.00 0.00 O ATOM 567 CB ARG A 40 -1.336 -0.963 -1.040 1.00 0.00 C ATOM 568 CG ARG A 40 -0.489 -0.026 -1.885 1.00 0.00 C ATOM 569 CD ARG A 40 0.791 -0.701 -2.353 1.00 0.00 C ATOM 570 NE ARG A 40 0.606 -1.407 -3.618 1.00 0.00 N ATOM 571 CZ ARG A 40 1.603 -1.714 -4.441 1.00 0.00 C ATOM 572 NH1 ARG A 40 2.848 -1.380 -4.132 1.00 0.00 N ATOM 573 NH2 ARG A 40 1.355 -2.357 -5.574 1.00 0.00 N ATOM 0 H ARG A 40 -2.732 -2.114 0.634 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.121 0.591 0.220 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.701 -1.439 -0.293 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.730 -1.756 -1.676 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.064 0.306 -2.750 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.242 0.864 -1.306 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.575 0.048 -2.467 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.130 -1.404 -1.592 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.340 -1.679 -3.884 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.042 -0.886 -3.261 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.612 -1.617 -4.765 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.398 -2.616 -5.814 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.121 -2.592 -6.205 1.00 0.00 H new ATOM 587 N GLN A 41 -4.315 -0.696 -1.884 1.00 0.00 N ATOM 588 CA GLN A 41 -5.325 -0.354 -2.879 1.00 0.00 C ATOM 589 C GLN A 41 -6.197 0.799 -2.395 1.00 0.00 C ATOM 590 O GLN A 41 -6.257 1.854 -3.028 1.00 0.00 O ATOM 591 CB GLN A 41 -6.196 -1.572 -3.192 1.00 0.00 C ATOM 592 CG GLN A 41 -5.452 -2.683 -3.914 1.00 0.00 C ATOM 593 CD GLN A 41 -6.229 -3.984 -3.942 1.00 0.00 C ATOM 594 OE1 GLN A 41 -7.210 -4.151 -3.216 1.00 0.00 O ATOM 595 NE2 GLN A 41 -5.795 -4.916 -4.783 1.00 0.00 N ATOM 0 H GLN A 41 -4.285 -1.685 -1.635 1.00 0.00 H new ATOM 0 HA GLN A 41 -4.812 -0.040 -3.788 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.604 -1.965 -2.261 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.042 -1.256 -3.803 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.240 -2.369 -4.936 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.491 -2.848 -3.426 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.978 -4.736 -5.366 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.279 -5.812 -4.845 1.00 0.00 H new ATOM 604 N PHE A 42 -6.873 0.592 -1.270 1.00 0.00 N ATOM 605 CA PHE A 42 -7.744 1.614 -0.702 1.00 0.00 C ATOM 606 C PHE A 42 -7.044 2.970 -0.672 1.00 0.00 C ATOM 607 O PHE A 42 -7.496 3.927 -1.301 1.00 0.00 O ATOM 608 CB PHE A 42 -8.175 1.219 0.712 1.00 0.00 C ATOM 609 CG PHE A 42 -8.988 2.273 1.408 1.00 0.00 C ATOM 610 CD1 PHE A 42 -10.292 2.530 1.018 1.00 0.00 C ATOM 611 CD2 PHE A 42 -8.448 3.006 2.452 1.00 0.00 C ATOM 612 CE1 PHE A 42 -11.043 3.499 1.656 1.00 0.00 C ATOM 613 CE2 PHE A 42 -9.194 3.976 3.094 1.00 0.00 C ATOM 614 CZ PHE A 42 -10.493 4.224 2.695 1.00 0.00 C ATOM 0 H PHE A 42 -6.834 -0.275 -0.733 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.628 1.695 -1.335 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.756 0.298 0.662 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.287 1.004 1.307 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.727 1.967 0.206 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.433 2.817 2.768 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -12.059 3.689 1.342 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.762 4.540 3.907 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.077 4.983 3.194 1.00 0.00 H new ATOM 624 N ALA A 43 -5.939 3.043 0.063 1.00 0.00 N ATOM 625 CA ALA A 43 -5.176 4.279 0.173 1.00 0.00 C ATOM 626 C ALA A 43 -5.043 4.965 -1.182 1.00 0.00 C ATOM 627 O ALA A 43 -5.178 6.184 -1.287 1.00 0.00 O ATOM 628 CB ALA A 43 -3.802 4.000 0.763 1.00 0.00 C ATOM 0 H ALA A 43 -5.553 2.260 0.591 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.716 4.952 0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.243 4.932 0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.914 3.562 1.755 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.263 3.306 0.118 1.00 0.00 H new ATOM 634 N ALA A 44 -4.775 4.175 -2.216 1.00 0.00 N ATOM 635 CA ALA A 44 -4.625 4.707 -3.565 1.00 0.00 C ATOM 636 C ALA A 44 -5.887 5.438 -4.011 1.00 0.00 C ATOM 637 O ALA A 44 -5.814 6.461 -4.690 1.00 0.00 O ATOM 638 CB ALA A 44 -4.289 3.588 -4.539 1.00 0.00 C ATOM 0 H ALA A 44 -4.657 3.164 -2.146 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.805 5.425 -3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.180 4.000 -5.542 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.356 3.112 -4.238 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.091 2.849 -4.535 1.00 0.00 H new ATOM 644 N GLN A 45 -7.042 4.904 -3.625 1.00 0.00 N ATOM 645 CA GLN A 45 -8.319 5.506 -3.987 1.00 0.00 C ATOM 646 C GLN A 45 -8.582 6.762 -3.163 1.00 0.00 C ATOM 647 O GLN A 45 -9.125 7.747 -3.667 1.00 0.00 O ATOM 648 CB GLN A 45 -9.456 4.502 -3.785 1.00 0.00 C ATOM 649 CG GLN A 45 -9.746 3.657 -5.014 1.00 0.00 C ATOM 650 CD GLN A 45 -11.170 3.137 -5.042 1.00 0.00 C ATOM 651 OE1 GLN A 45 -11.870 3.158 -4.030 1.00 0.00 O ATOM 652 NE2 GLN A 45 -11.606 2.667 -6.205 1.00 0.00 N ATOM 0 H GLN A 45 -7.119 4.057 -3.062 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.274 5.787 -5.039 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.205 3.844 -2.953 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.360 5.041 -3.503 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -9.562 4.250 -5.910 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.055 2.815 -5.042 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.991 2.669 -7.019 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -12.556 2.304 -6.285 1.00 0.00 H new ATOM 661 N THR A 46 -8.194 6.723 -1.892 1.00 0.00 N ATOM 662 CA THR A 46 -8.389 7.857 -0.998 1.00 0.00 C ATOM 663 C THR A 46 -7.571 9.061 -1.449 1.00 0.00 C ATOM 664 O THR A 46 -8.095 10.167 -1.579 1.00 0.00 O ATOM 665 CB THR A 46 -8.004 7.502 0.451 1.00 0.00 C ATOM 666 OG1 THR A 46 -8.769 6.379 0.901 1.00 0.00 O ATOM 667 CG2 THR A 46 -8.237 8.686 1.378 1.00 0.00 C ATOM 0 H THR A 46 -7.743 5.917 -1.459 1.00 0.00 H new ATOM 0 HA THR A 46 -9.449 8.109 -1.034 1.00 0.00 H new ATOM 0 HB THR A 46 -6.944 7.249 0.470 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.381 6.030 1.731 1.00 0.00 H new ATOM 0 HG21 THR A 46 -7.958 8.412 2.395 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.630 9.530 1.050 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.290 8.966 1.353 1.00 0.00 H new ATOM 675 N VAL A 47 -6.282 8.838 -1.688 1.00 0.00 N ATOM 676 CA VAL A 47 -5.391 9.905 -2.128 1.00 0.00 C ATOM 677 C VAL A 47 -5.463 10.094 -3.639 1.00 0.00 C ATOM 678 O VAL A 47 -5.188 11.177 -4.154 1.00 0.00 O ATOM 679 CB VAL A 47 -3.932 9.619 -1.726 1.00 0.00 C ATOM 680 CG1 VAL A 47 -3.801 9.531 -0.213 1.00 0.00 C ATOM 681 CG2 VAL A 47 -3.439 8.340 -2.387 1.00 0.00 C ATOM 0 H VAL A 47 -5.832 7.928 -1.584 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.724 10.818 -1.635 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.310 10.444 -2.073 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.763 9.328 0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.112 10.475 0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.434 8.726 0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.406 8.153 -2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.063 7.504 -2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.494 8.446 -3.470 1.00 0.00 H new ATOM 691 N GLY A 48 -5.836 9.031 -4.346 1.00 0.00 N ATOM 692 CA GLY A 48 -5.939 9.101 -5.792 1.00 0.00 C ATOM 693 C GLY A 48 -4.609 9.406 -6.453 1.00 0.00 C ATOM 694 O GLY A 48 -3.551 9.122 -5.894 1.00 0.00 O ATOM 0 H GLY A 48 -6.069 8.123 -3.943 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.322 8.154 -6.172 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.662 9.870 -6.065 1.00 0.00 H new ATOM 698 N ASN A 49 -4.664 9.985 -7.648 1.00 0.00 N ATOM 699 CA ASN A 49 -3.454 10.328 -8.387 1.00 0.00 C ATOM 700 C ASN A 49 -2.868 11.646 -7.891 1.00 0.00 C ATOM 701 O ASN A 49 -2.504 12.515 -8.684 1.00 0.00 O ATOM 702 CB ASN A 49 -3.756 10.423 -9.884 1.00 0.00 C ATOM 703 CG ASN A 49 -4.195 9.095 -10.471 1.00 0.00 C ATOM 704 OD1 ASN A 49 -4.783 8.263 -9.781 1.00 0.00 O ATOM 705 ND2 ASN A 49 -3.910 8.892 -11.752 1.00 0.00 N ATOM 0 H ASN A 49 -5.533 10.226 -8.125 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.720 9.539 -8.220 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.537 11.165 -10.048 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.868 10.774 -10.410 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.180 8.018 -12.202 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.421 9.610 -12.286 1.00 0.00 H new ATOM 712 N THR A 50 -2.777 11.787 -6.572 1.00 0.00 N ATOM 713 CA THR A 50 -2.236 12.998 -5.968 1.00 0.00 C ATOM 714 C THR A 50 -0.732 12.879 -5.751 1.00 0.00 C ATOM 715 O THR A 50 0.036 13.748 -6.164 1.00 0.00 O ATOM 716 CB THR A 50 -2.915 13.307 -4.621 1.00 0.00 C ATOM 717 OG1 THR A 50 -4.323 13.488 -4.812 1.00 0.00 O ATOM 718 CG2 THR A 50 -2.320 14.556 -3.988 1.00 0.00 C ATOM 0 H THR A 50 -3.071 11.077 -5.902 1.00 0.00 H new ATOM 0 HA THR A 50 -2.437 13.814 -6.662 1.00 0.00 H new ATOM 0 HB THR A 50 -2.744 12.463 -3.952 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.812 12.814 -4.295 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.816 14.754 -3.038 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.254 14.405 -3.817 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.463 15.406 -4.656 1.00 0.00 H new ATOM 726 N TYR A 51 -0.317 11.797 -5.100 1.00 0.00 N ATOM 727 CA TYR A 51 1.096 11.565 -4.826 1.00 0.00 C ATOM 728 C TYR A 51 1.750 10.783 -5.962 1.00 0.00 C ATOM 729 O TYR A 51 2.830 11.136 -6.432 1.00 0.00 O ATOM 730 CB TYR A 51 1.264 10.808 -3.508 1.00 0.00 C ATOM 731 CG TYR A 51 0.656 11.518 -2.320 1.00 0.00 C ATOM 732 CD1 TYR A 51 1.325 12.563 -1.694 1.00 0.00 C ATOM 733 CD2 TYR A 51 -0.586 11.145 -1.822 1.00 0.00 C ATOM 734 CE1 TYR A 51 0.774 13.215 -0.608 1.00 0.00 C ATOM 735 CE2 TYR A 51 -1.145 11.792 -0.738 1.00 0.00 C ATOM 736 CZ TYR A 51 -0.461 12.827 -0.134 1.00 0.00 C ATOM 737 OH TYR A 51 -1.014 13.473 0.948 1.00 0.00 O ATOM 0 H TYR A 51 -0.939 11.067 -4.753 1.00 0.00 H new ATOM 0 HA TYR A 51 1.588 12.534 -4.746 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.808 9.823 -3.604 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.326 10.651 -3.322 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.292 12.871 -2.063 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.124 10.334 -2.291 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.308 14.025 -0.133 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.112 11.490 -0.365 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.021 14.439 0.784 1.00 0.00 H new ATOM 747 N GLY A 52 1.085 9.717 -6.397 1.00 0.00 N ATOM 748 CA GLY A 52 1.615 8.901 -7.474 1.00 0.00 C ATOM 749 C GLY A 52 1.845 7.463 -7.053 1.00 0.00 C ATOM 750 O GLY A 52 0.992 6.854 -6.409 1.00 0.00 O ATOM 0 H GLY A 52 0.189 9.404 -6.023 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.924 8.923 -8.317 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.555 9.329 -7.821 1.00 0.00 H new ATOM 754 N ASN A 53 3.001 6.919 -7.418 1.00 0.00 N ATOM 755 CA ASN A 53 3.339 5.542 -7.076 1.00 0.00 C ATOM 756 C ASN A 53 3.899 5.456 -5.659 1.00 0.00 C ATOM 757 O ASN A 53 4.892 4.770 -5.413 1.00 0.00 O ATOM 758 CB ASN A 53 4.356 4.982 -8.073 1.00 0.00 C ATOM 759 CG ASN A 53 4.214 3.484 -8.262 1.00 0.00 C ATOM 760 OD1 ASN A 53 3.326 2.856 -7.687 1.00 0.00 O ATOM 761 ND2 ASN A 53 5.093 2.905 -9.072 1.00 0.00 N ATOM 0 H ASN A 53 3.719 7.410 -7.950 1.00 0.00 H new ATOM 0 HA ASN A 53 2.427 4.947 -7.125 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.231 5.480 -9.034 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.364 5.208 -7.725 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.048 1.900 -9.238 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.813 3.466 -9.528 1.00 0.00 H new ATOM 768 N PHE A 54 3.256 6.156 -4.731 1.00 0.00 N ATOM 769 CA PHE A 54 3.689 6.160 -3.339 1.00 0.00 C ATOM 770 C PHE A 54 3.933 4.738 -2.842 1.00 0.00 C ATOM 771 O PHE A 54 3.620 3.766 -3.529 1.00 0.00 O ATOM 772 CB PHE A 54 2.644 6.848 -2.459 1.00 0.00 C ATOM 773 CG PHE A 54 1.409 6.022 -2.238 1.00 0.00 C ATOM 774 CD1 PHE A 54 1.362 5.079 -1.224 1.00 0.00 C ATOM 775 CD2 PHE A 54 0.295 6.187 -3.046 1.00 0.00 C ATOM 776 CE1 PHE A 54 0.227 4.317 -1.018 1.00 0.00 C ATOM 777 CE2 PHE A 54 -0.843 5.429 -2.844 1.00 0.00 C ATOM 778 CZ PHE A 54 -0.877 4.492 -1.830 1.00 0.00 C ATOM 0 H PHE A 54 2.433 6.728 -4.918 1.00 0.00 H new ATOM 0 HA PHE A 54 4.626 6.714 -3.277 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.092 7.083 -1.493 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.361 7.795 -2.918 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.222 4.937 -0.587 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.316 6.916 -3.842 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.203 3.586 -0.223 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.705 5.569 -3.479 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.765 3.897 -1.672 1.00 0.00 H new ATOM 788 N SER A 55 4.495 4.625 -1.642 1.00 0.00 N ATOM 789 CA SER A 55 4.785 3.323 -1.054 1.00 0.00 C ATOM 790 C SER A 55 4.260 3.243 0.376 1.00 0.00 C ATOM 791 O SER A 55 3.803 4.240 0.938 1.00 0.00 O ATOM 792 CB SER A 55 6.291 3.056 -1.072 1.00 0.00 C ATOM 793 OG SER A 55 6.703 2.540 -2.326 1.00 0.00 O ATOM 0 H SER A 55 4.758 5.419 -1.059 1.00 0.00 H new ATOM 0 HA SER A 55 4.281 2.562 -1.650 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.830 3.980 -0.861 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.548 2.350 -0.283 1.00 0.00 H new ATOM 0 HG SER A 55 7.670 2.380 -2.312 1.00 0.00 H new ATOM 799 N LEU A 56 4.330 2.052 0.960 1.00 0.00 N ATOM 800 CA LEU A 56 3.862 1.841 2.326 1.00 0.00 C ATOM 801 C LEU A 56 4.955 1.214 3.185 1.00 0.00 C ATOM 802 O LEU A 56 5.710 0.360 2.721 1.00 0.00 O ATOM 803 CB LEU A 56 2.620 0.948 2.328 1.00 0.00 C ATOM 804 CG LEU A 56 1.373 1.531 1.663 1.00 0.00 C ATOM 805 CD1 LEU A 56 0.246 0.510 1.655 1.00 0.00 C ATOM 806 CD2 LEU A 56 0.937 2.805 2.371 1.00 0.00 C ATOM 0 H LEU A 56 4.706 1.218 0.510 1.00 0.00 H new ATOM 0 HA LEU A 56 3.605 2.812 2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.869 0.012 1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.375 0.703 3.361 1.00 0.00 H new ATOM 0 HG LEU A 56 1.618 1.779 0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.633 0.943 1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.561 -0.375 1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.002 0.230 2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.048 3.206 1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.710 2.582 3.414 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.740 3.541 2.323 1.00 0.00 H new ATOM 818 N ALA A 57 5.033 1.642 4.440 1.00 0.00 N ATOM 819 CA ALA A 57 6.030 1.119 5.366 1.00 0.00 C ATOM 820 C ALA A 57 5.537 1.198 6.807 1.00 0.00 C ATOM 821 O ALA A 57 4.466 1.742 7.079 1.00 0.00 O ATOM 822 CB ALA A 57 7.341 1.877 5.212 1.00 0.00 C ATOM 0 H ALA A 57 4.417 2.350 4.840 1.00 0.00 H new ATOM 0 HA ALA A 57 6.199 0.069 5.125 1.00 0.00 H new ATOM 0 HB1 ALA A 57 8.077 1.477 5.909 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.709 1.765 4.192 1.00 0.00 H new ATOM 0 HB3 ALA A 57 7.178 2.934 5.424 1.00 0.00 H new ATOM 828 N THR A 58 6.324 0.650 7.727 1.00 0.00 N ATOM 829 CA THR A 58 5.967 0.656 9.140 1.00 0.00 C ATOM 830 C THR A 58 6.330 1.984 9.794 1.00 0.00 C ATOM 831 O THR A 58 6.796 2.907 9.127 1.00 0.00 O ATOM 832 CB THR A 58 6.666 -0.486 9.902 1.00 0.00 C ATOM 833 OG1 THR A 58 8.083 -0.405 9.712 1.00 0.00 O ATOM 834 CG2 THR A 58 6.162 -1.841 9.427 1.00 0.00 C ATOM 0 H THR A 58 7.213 0.196 7.519 1.00 0.00 H new ATOM 0 HA THR A 58 4.888 0.511 9.193 1.00 0.00 H new ATOM 0 HB THR A 58 6.435 -0.382 10.962 1.00 0.00 H new ATOM 0 HG1 THR A 58 8.308 0.450 9.289 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.670 -2.632 9.979 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.088 -1.910 9.599 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.367 -1.953 8.362 1.00 0.00 H new ATOM 842 N MET A 59 6.114 2.074 11.102 1.00 0.00 N ATOM 843 CA MET A 59 6.421 3.290 11.845 1.00 0.00 C ATOM 844 C MET A 59 7.467 3.019 12.923 1.00 0.00 C ATOM 845 O MET A 59 8.466 3.731 13.025 1.00 0.00 O ATOM 846 CB MET A 59 5.152 3.859 12.482 1.00 0.00 C ATOM 847 CG MET A 59 4.380 4.794 11.566 1.00 0.00 C ATOM 848 SD MET A 59 2.983 5.579 12.393 1.00 0.00 S ATOM 849 CE MET A 59 3.832 6.645 13.555 1.00 0.00 C ATOM 0 H MET A 59 5.728 1.319 11.669 1.00 0.00 H new ATOM 0 HA MET A 59 6.826 4.021 11.145 1.00 0.00 H new ATOM 0 HB2 MET A 59 4.503 3.035 12.778 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.421 4.395 13.392 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.053 5.564 11.188 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.019 4.235 10.703 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.163 7.447 13.869 1.00 0.00 H new ATOM 0 HE2 MET A 59 4.136 6.065 14.426 1.00 0.00 H new ATOM 0 HE3 MET A 59 4.714 7.073 13.078 1.00 0.00 H new ATOM 859 N PHE A 60 7.230 1.986 13.725 1.00 0.00 N ATOM 860 CA PHE A 60 8.151 1.622 14.795 1.00 0.00 C ATOM 861 C PHE A 60 9.460 1.084 14.227 1.00 0.00 C ATOM 862 O PHE A 60 10.514 1.713 14.322 1.00 0.00 O ATOM 863 CB PHE A 60 7.512 0.578 15.713 1.00 0.00 C ATOM 864 CG PHE A 60 6.872 1.167 16.938 1.00 0.00 C ATOM 865 CD1 PHE A 60 7.641 1.526 18.033 1.00 0.00 C ATOM 866 CD2 PHE A 60 5.502 1.362 16.994 1.00 0.00 C ATOM 867 CE1 PHE A 60 7.056 2.069 19.161 1.00 0.00 C ATOM 868 CE2 PHE A 60 4.911 1.905 18.119 1.00 0.00 C ATOM 869 CZ PHE A 60 5.688 2.257 19.205 1.00 0.00 C ATOM 0 H PHE A 60 6.408 1.386 13.654 1.00 0.00 H new ATOM 0 HA PHE A 60 8.369 2.520 15.374 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.760 0.024 15.151 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.274 -0.139 16.020 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.711 1.380 18.005 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.889 1.087 16.149 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.667 2.346 20.007 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.842 2.054 18.149 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.227 2.678 20.086 1.00 0.00 H new ATOM 879 N PRO A 61 9.394 -0.111 13.620 1.00 0.00 N ATOM 880 CA PRO A 61 10.565 -0.762 13.024 1.00 0.00 C ATOM 881 C PRO A 61 11.052 -0.043 11.771 1.00 0.00 C ATOM 882 O PRO A 61 12.109 -0.368 11.229 1.00 0.00 O ATOM 883 CB PRO A 61 10.052 -2.161 12.673 1.00 0.00 C ATOM 884 CG PRO A 61 8.582 -1.994 12.502 1.00 0.00 C ATOM 885 CD PRO A 61 8.172 -0.918 13.470 1.00 0.00 C ATOM 0 HA PRO A 61 11.420 -0.764 13.701 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.517 -2.536 11.761 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.280 -2.876 13.464 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.338 -1.711 11.478 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.057 -2.926 12.709 1.00 0.00 H new ATOM 0 HD2 PRO A 61 7.343 -0.324 13.084 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.847 -1.337 14.423 1.00 0.00 H new ATOM 893 N ARG A 62 10.275 0.934 11.315 1.00 0.00 N ATOM 894 CA ARG A 62 10.628 1.698 10.125 1.00 0.00 C ATOM 895 C ARG A 62 11.292 0.804 9.082 1.00 0.00 C ATOM 896 O ARG A 62 12.377 1.111 8.586 1.00 0.00 O ATOM 897 CB ARG A 62 11.563 2.852 10.492 1.00 0.00 C ATOM 898 CG ARG A 62 11.417 4.066 9.588 1.00 0.00 C ATOM 899 CD ARG A 62 12.012 3.811 8.212 1.00 0.00 C ATOM 900 NE ARG A 62 12.337 5.054 7.518 1.00 0.00 N ATOM 901 CZ ARG A 62 13.477 5.714 7.688 1.00 0.00 C ATOM 902 NH1 ARG A 62 14.396 5.253 8.525 1.00 0.00 N ATOM 903 NH2 ARG A 62 13.699 6.839 7.020 1.00 0.00 N ATOM 0 H ARG A 62 9.397 1.215 11.752 1.00 0.00 H new ATOM 0 HA ARG A 62 9.710 2.104 9.700 1.00 0.00 H new ATOM 0 HB2 ARG A 62 11.370 3.151 11.522 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.594 2.500 10.450 1.00 0.00 H new ATOM 0 HG2 ARG A 62 10.362 4.322 9.488 1.00 0.00 H new ATOM 0 HG3 ARG A 62 11.911 4.923 10.046 1.00 0.00 H new ATOM 0 HD2 ARG A 62 12.913 3.206 8.313 1.00 0.00 H new ATOM 0 HD3 ARG A 62 11.307 3.235 7.613 1.00 0.00 H new ATOM 0 HE ARG A 62 11.651 5.436 6.867 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.229 4.389 9.041 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.270 5.762 8.653 1.00 0.00 H new ATOM 0 HH21 ARG A 62 12.994 7.197 6.376 1.00 0.00 H new ATOM 0 HH22 ARG A 62 14.575 7.346 7.151 1.00 0.00 H new ATOM 917 N ARG A 63 10.635 -0.304 8.755 1.00 0.00 N ATOM 918 CA ARG A 63 11.162 -1.243 7.772 1.00 0.00 C ATOM 919 C ARG A 63 10.258 -1.311 6.545 1.00 0.00 C ATOM 920 O ARG A 63 9.037 -1.403 6.667 1.00 0.00 O ATOM 921 CB ARG A 63 11.305 -2.635 8.392 1.00 0.00 C ATOM 922 CG ARG A 63 12.446 -3.448 7.804 1.00 0.00 C ATOM 923 CD ARG A 63 13.733 -3.253 8.592 1.00 0.00 C ATOM 924 NE ARG A 63 13.497 -3.252 10.033 1.00 0.00 N ATOM 925 CZ ARG A 63 13.420 -4.357 10.766 1.00 0.00 C ATOM 926 NH1 ARG A 63 13.559 -5.546 10.196 1.00 0.00 N ATOM 927 NH2 ARG A 63 13.203 -4.274 12.073 1.00 0.00 N ATOM 0 H ARG A 63 9.737 -0.573 9.156 1.00 0.00 H new ATOM 0 HA ARG A 63 12.144 -0.889 7.458 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.460 -2.531 9.466 1.00 0.00 H new ATOM 0 HB3 ARG A 63 10.372 -3.182 8.256 1.00 0.00 H new ATOM 0 HG2 ARG A 63 12.177 -4.504 7.800 1.00 0.00 H new ATOM 0 HG3 ARG A 63 12.606 -3.156 6.766 1.00 0.00 H new ATOM 0 HD2 ARG A 63 14.436 -4.047 8.340 1.00 0.00 H new ATOM 0 HD3 ARG A 63 14.198 -2.311 8.300 1.00 0.00 H new ATOM 0 HE ARG A 63 13.385 -2.353 10.502 1.00 0.00 H new ATOM 0 HH11 ARG A 63 13.726 -5.614 9.192 1.00 0.00 H new ATOM 0 HH12 ARG A 63 13.499 -6.393 10.762 1.00 0.00 H new ATOM 0 HH21 ARG A 63 13.095 -3.361 12.515 1.00 0.00 H new ATOM 0 HH22 ARG A 63 13.144 -5.123 12.635 1.00 0.00 H new ATOM 941 N GLU A 64 10.867 -1.264 5.364 1.00 0.00 N ATOM 942 CA GLU A 64 10.116 -1.319 4.116 1.00 0.00 C ATOM 943 C GLU A 64 9.605 -2.733 3.850 1.00 0.00 C ATOM 944 O GLU A 64 10.311 -3.714 4.083 1.00 0.00 O ATOM 945 CB GLU A 64 10.988 -0.853 2.949 1.00 0.00 C ATOM 946 CG GLU A 64 10.881 0.636 2.666 1.00 0.00 C ATOM 947 CD GLU A 64 12.168 1.219 2.113 1.00 0.00 C ATOM 948 OE1 GLU A 64 13.252 0.805 2.574 1.00 0.00 O ATOM 949 OE2 GLU A 64 12.090 2.089 1.221 1.00 0.00 O ATOM 0 H GLU A 64 11.877 -1.188 5.246 1.00 0.00 H new ATOM 0 HA GLU A 64 9.259 -0.652 4.208 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.028 -1.100 3.162 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.707 -1.406 2.053 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.073 0.810 1.955 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.615 1.159 3.585 1.00 0.00 H new ATOM 956 N PHE A 65 8.373 -2.828 3.361 1.00 0.00 N ATOM 957 CA PHE A 65 7.766 -4.120 3.064 1.00 0.00 C ATOM 958 C PHE A 65 8.358 -4.720 1.792 1.00 0.00 C ATOM 959 O PHE A 65 9.123 -4.068 1.081 1.00 0.00 O ATOM 960 CB PHE A 65 6.250 -3.973 2.915 1.00 0.00 C ATOM 961 CG PHE A 65 5.550 -3.646 4.203 1.00 0.00 C ATOM 962 CD1 PHE A 65 5.239 -4.645 5.111 1.00 0.00 C ATOM 963 CD2 PHE A 65 5.203 -2.339 4.506 1.00 0.00 C ATOM 964 CE1 PHE A 65 4.594 -4.347 6.296 1.00 0.00 C ATOM 965 CE2 PHE A 65 4.558 -2.035 5.690 1.00 0.00 C ATOM 966 CZ PHE A 65 4.254 -3.040 6.587 1.00 0.00 C ATOM 0 H PHE A 65 7.775 -2.026 3.162 1.00 0.00 H new ATOM 0 HA PHE A 65 7.979 -4.793 3.895 1.00 0.00 H new ATOM 0 HB2 PHE A 65 6.039 -3.190 2.187 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.841 -4.900 2.514 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.504 -5.668 4.890 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.439 -1.549 3.809 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.356 -5.136 6.994 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.292 -1.012 5.913 1.00 0.00 H new ATOM 0 HZ PHE A 65 3.752 -2.805 7.514 1.00 0.00 H new ATOM 976 N THR A 66 7.998 -5.969 1.511 1.00 0.00 N ATOM 977 CA THR A 66 8.494 -6.659 0.327 1.00 0.00 C ATOM 978 C THR A 66 7.344 -7.145 -0.548 1.00 0.00 C ATOM 979 O THR A 66 6.180 -7.077 -0.153 1.00 0.00 O ATOM 980 CB THR A 66 9.379 -7.861 0.706 1.00 0.00 C ATOM 981 OG1 THR A 66 9.964 -8.430 -0.471 1.00 0.00 O ATOM 982 CG2 THR A 66 8.569 -8.920 1.439 1.00 0.00 C ATOM 0 H THR A 66 7.365 -6.523 2.088 1.00 0.00 H new ATOM 0 HA THR A 66 9.092 -5.939 -0.231 1.00 0.00 H new ATOM 0 HB THR A 66 10.169 -7.507 1.369 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.526 -9.193 -0.221 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.215 -9.759 1.696 1.00 0.00 H new ATOM 0 HG22 THR A 66 8.150 -8.492 2.350 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.760 -9.269 0.797 1.00 0.00 H new ATOM 990 N ARG A 67 7.678 -7.636 -1.737 1.00 0.00 N ATOM 991 CA ARG A 67 6.672 -8.133 -2.668 1.00 0.00 C ATOM 992 C ARG A 67 5.877 -9.279 -2.048 1.00 0.00 C ATOM 993 O ARG A 67 4.647 -9.283 -2.084 1.00 0.00 O ATOM 994 CB ARG A 67 7.334 -8.601 -3.965 1.00 0.00 C ATOM 995 CG ARG A 67 6.404 -9.385 -4.876 1.00 0.00 C ATOM 996 CD ARG A 67 7.122 -9.865 -6.127 1.00 0.00 C ATOM 997 NE ARG A 67 7.956 -11.035 -5.863 1.00 0.00 N ATOM 998 CZ ARG A 67 7.492 -12.279 -5.840 1.00 0.00 C ATOM 999 NH1 ARG A 67 6.206 -12.514 -6.064 1.00 0.00 N ATOM 1000 NH2 ARG A 67 8.313 -13.291 -5.593 1.00 0.00 N ATOM 0 H ARG A 67 8.637 -7.700 -2.078 1.00 0.00 H new ATOM 0 HA ARG A 67 5.986 -7.317 -2.892 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.710 -7.732 -4.505 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.196 -9.221 -3.720 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.001 -10.241 -4.336 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.558 -8.759 -5.159 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.388 -10.108 -6.895 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.741 -9.059 -6.521 1.00 0.00 H new ATOM 0 HE ARG A 67 8.950 -10.888 -5.687 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.571 -11.738 -6.254 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.852 -13.470 -6.046 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.303 -13.114 -5.420 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.955 -14.246 -5.576 1.00 0.00 H new ATOM 1014 N GLU A 68 6.589 -10.248 -1.482 1.00 0.00 N ATOM 1015 CA GLU A 68 5.949 -11.399 -0.857 1.00 0.00 C ATOM 1016 C GLU A 68 5.031 -10.960 0.281 1.00 0.00 C ATOM 1017 O GLU A 68 3.937 -11.497 0.453 1.00 0.00 O ATOM 1018 CB GLU A 68 7.004 -12.373 -0.328 1.00 0.00 C ATOM 1019 CG GLU A 68 7.909 -12.937 -1.411 1.00 0.00 C ATOM 1020 CD GLU A 68 9.069 -13.733 -0.846 1.00 0.00 C ATOM 1021 OE1 GLU A 68 9.959 -13.121 -0.221 1.00 0.00 O ATOM 1022 OE2 GLU A 68 9.086 -14.968 -1.030 1.00 0.00 O ATOM 0 H GLU A 68 7.608 -10.259 -1.443 1.00 0.00 H new ATOM 0 HA GLU A 68 5.347 -11.902 -1.614 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.616 -11.864 0.416 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.503 -13.197 0.181 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.323 -13.575 -2.073 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.296 -12.119 -2.018 1.00 0.00 H new ATOM 1029 N ASP A 69 5.486 -9.981 1.055 1.00 0.00 N ATOM 1030 CA ASP A 69 4.707 -9.468 2.176 1.00 0.00 C ATOM 1031 C ASP A 69 3.273 -9.169 1.750 1.00 0.00 C ATOM 1032 O ASP A 69 2.320 -9.574 2.415 1.00 0.00 O ATOM 1033 CB ASP A 69 5.358 -8.205 2.742 1.00 0.00 C ATOM 1034 CG ASP A 69 6.408 -8.515 3.791 1.00 0.00 C ATOM 1035 OD1 ASP A 69 6.919 -9.654 3.800 1.00 0.00 O ATOM 1036 OD2 ASP A 69 6.717 -7.619 4.605 1.00 0.00 O ATOM 0 H ASP A 69 6.390 -9.527 0.927 1.00 0.00 H new ATOM 0 HA ASP A 69 4.684 -10.234 2.951 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.816 -7.640 1.930 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.589 -7.568 3.179 1.00 0.00 H new ATOM 1041 N TYR A 70 3.128 -8.457 0.638 1.00 0.00 N ATOM 1042 CA TYR A 70 1.811 -8.100 0.125 1.00 0.00 C ATOM 1043 C TYR A 70 0.974 -9.347 -0.141 1.00 0.00 C ATOM 1044 O TYR A 70 -0.256 -9.296 -0.141 1.00 0.00 O ATOM 1045 CB TYR A 70 1.946 -7.279 -1.159 1.00 0.00 C ATOM 1046 CG TYR A 70 2.375 -5.849 -0.921 1.00 0.00 C ATOM 1047 CD1 TYR A 70 1.587 -4.982 -0.174 1.00 0.00 C ATOM 1048 CD2 TYR A 70 3.568 -5.365 -1.443 1.00 0.00 C ATOM 1049 CE1 TYR A 70 1.974 -3.674 0.045 1.00 0.00 C ATOM 1050 CE2 TYR A 70 3.964 -4.059 -1.227 1.00 0.00 C ATOM 1051 CZ TYR A 70 3.164 -3.217 -0.483 1.00 0.00 C ATOM 1052 OH TYR A 70 3.554 -1.916 -0.267 1.00 0.00 O ATOM 0 H TYR A 70 3.907 -8.116 0.075 1.00 0.00 H new ATOM 0 HA TYR A 70 1.305 -7.499 0.881 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.670 -7.762 -1.815 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.990 -7.280 -1.683 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.656 -5.337 0.243 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.196 -6.021 -2.027 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.348 -3.013 0.626 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.895 -3.699 -1.639 1.00 0.00 H new ATOM 0 HH TYR A 70 4.416 -1.756 -0.706 1.00 0.00 H new ATOM 1062 N LYS A 71 1.650 -10.468 -0.368 1.00 0.00 N ATOM 1063 CA LYS A 71 0.972 -11.731 -0.634 1.00 0.00 C ATOM 1064 C LYS A 71 0.546 -12.405 0.667 1.00 0.00 C ATOM 1065 O LYS A 71 -0.385 -13.210 0.685 1.00 0.00 O ATOM 1066 CB LYS A 71 1.885 -12.667 -1.430 1.00 0.00 C ATOM 1067 CG LYS A 71 2.332 -12.091 -2.762 1.00 0.00 C ATOM 1068 CD LYS A 71 1.182 -12.019 -3.752 1.00 0.00 C ATOM 1069 CE LYS A 71 1.684 -11.975 -5.188 1.00 0.00 C ATOM 1070 NZ LYS A 71 0.564 -12.012 -6.168 1.00 0.00 N ATOM 0 H LYS A 71 2.668 -10.527 -0.373 1.00 0.00 H new ATOM 0 HA LYS A 71 0.079 -11.518 -1.222 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.765 -12.899 -0.830 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.362 -13.607 -1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.744 -11.094 -2.608 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.131 -12.706 -3.176 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.532 -12.884 -3.619 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.580 -11.133 -3.549 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.270 -11.069 -5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.350 -12.819 -5.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.947 -11.980 -7.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.020 -12.889 -6.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.058 -11.193 -6.015 1.00 0.00 H new ATOM 1084 N ARG A 72 1.233 -12.069 1.754 1.00 0.00 N ATOM 1085 CA ARG A 72 0.926 -12.641 3.060 1.00 0.00 C ATOM 1086 C ARG A 72 -0.218 -11.885 3.729 1.00 0.00 C ATOM 1087 O ARG A 72 -0.173 -10.662 3.863 1.00 0.00 O ATOM 1088 CB ARG A 72 2.164 -12.613 3.957 1.00 0.00 C ATOM 1089 CG ARG A 72 3.386 -13.264 3.330 1.00 0.00 C ATOM 1090 CD ARG A 72 4.656 -12.915 4.091 1.00 0.00 C ATOM 1091 NE ARG A 72 4.941 -13.879 5.151 1.00 0.00 N ATOM 1092 CZ ARG A 72 4.400 -13.820 6.363 1.00 0.00 C ATOM 1093 NH1 ARG A 72 3.550 -12.849 6.666 1.00 0.00 N ATOM 1094 NH2 ARG A 72 4.709 -14.734 7.273 1.00 0.00 N ATOM 0 H ARG A 72 2.006 -11.404 1.756 1.00 0.00 H new ATOM 0 HA ARG A 72 0.617 -13.676 2.912 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.400 -11.578 4.203 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.934 -13.119 4.895 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.256 -14.346 3.315 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.481 -12.940 2.294 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.496 -12.880 3.397 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.558 -11.919 4.523 1.00 0.00 H new ATOM 0 HE ARG A 72 5.591 -14.639 4.950 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.310 -12.145 5.968 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.136 -12.806 7.597 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.362 -15.483 7.043 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.293 -14.688 8.203 1.00 0.00 H new ATOM 1108 N ARG A 73 -1.243 -12.622 4.147 1.00 0.00 N ATOM 1109 CA ARG A 73 -2.399 -12.021 4.800 1.00 0.00 C ATOM 1110 C ARG A 73 -1.962 -11.030 5.875 1.00 0.00 C ATOM 1111 O ARG A 73 -0.901 -11.183 6.481 1.00 0.00 O ATOM 1112 CB ARG A 73 -3.282 -13.105 5.420 1.00 0.00 C ATOM 1113 CG ARG A 73 -3.785 -14.129 4.416 1.00 0.00 C ATOM 1114 CD ARG A 73 -4.985 -14.894 4.953 1.00 0.00 C ATOM 1115 NE ARG A 73 -5.139 -16.194 4.306 1.00 0.00 N ATOM 1116 CZ ARG A 73 -5.704 -16.361 3.116 1.00 0.00 C ATOM 1117 NH1 ARG A 73 -6.166 -15.314 2.445 1.00 0.00 N ATOM 1118 NH2 ARG A 73 -5.808 -17.576 2.593 1.00 0.00 N ATOM 0 H ARG A 73 -1.296 -13.635 4.045 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.972 -11.483 4.045 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.719 -13.619 6.199 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.137 -12.633 5.904 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.058 -13.626 3.488 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.984 -14.828 4.176 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.874 -15.035 6.028 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.889 -14.304 4.801 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.793 -17.020 4.795 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.088 -14.378 2.843 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.600 -15.445 1.531 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.454 -18.384 3.105 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.242 -17.702 1.679 1.00 0.00 H new ATOM 1132 N LEU A 74 -2.786 -10.014 6.106 1.00 0.00 N ATOM 1133 CA LEU A 74 -2.485 -8.996 7.107 1.00 0.00 C ATOM 1134 C LEU A 74 -2.125 -9.638 8.443 1.00 0.00 C ATOM 1135 O LEU A 74 -1.011 -9.474 8.942 1.00 0.00 O ATOM 1136 CB LEU A 74 -3.680 -8.058 7.284 1.00 0.00 C ATOM 1137 CG LEU A 74 -3.787 -6.910 6.280 1.00 0.00 C ATOM 1138 CD1 LEU A 74 -5.218 -6.403 6.199 1.00 0.00 C ATOM 1139 CD2 LEU A 74 -2.840 -5.781 6.658 1.00 0.00 C ATOM 0 H LEU A 74 -3.668 -9.873 5.614 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.628 -8.420 6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.593 -8.651 7.226 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.638 -7.634 8.287 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.500 -7.285 5.297 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.274 -5.586 5.479 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.874 -7.213 5.880 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.533 -6.045 7.179 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.930 -4.973 5.932 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.096 -5.408 7.650 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.815 -6.152 6.663 1.00 0.00 H new ATOM 1151 N LEU A 75 -3.074 -10.369 9.017 1.00 0.00 N ATOM 1152 CA LEU A 75 -2.856 -11.038 10.295 1.00 0.00 C ATOM 1153 C LEU A 75 -1.529 -11.791 10.297 1.00 0.00 C ATOM 1154 O LEU A 75 -0.927 -12.006 11.349 1.00 0.00 O ATOM 1155 CB LEU A 75 -4.004 -12.004 10.590 1.00 0.00 C ATOM 1156 CG LEU A 75 -3.849 -13.421 10.035 1.00 0.00 C ATOM 1157 CD1 LEU A 75 -4.969 -14.318 10.539 1.00 0.00 C ATOM 1158 CD2 LEU A 75 -3.826 -13.398 8.513 1.00 0.00 C ATOM 0 H LEU A 75 -4.002 -10.514 8.618 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.821 -10.276 11.074 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.128 -12.070 11.671 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.923 -11.577 10.189 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.901 -13.826 10.387 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.842 -15.322 10.134 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.939 -14.360 11.628 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.930 -13.916 10.217 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.715 -14.414 8.135 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.758 -12.973 8.141 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.988 -12.790 8.171 1.00 0.00 H new ATOM 1170 N ASP A 76 -1.079 -12.188 9.112 1.00 0.00 N ATOM 1171 CA ASP A 76 0.178 -12.914 8.975 1.00 0.00 C ATOM 1172 C ASP A 76 1.366 -12.006 9.280 1.00 0.00 C ATOM 1173 O ASP A 76 2.367 -12.445 9.847 1.00 0.00 O ATOM 1174 CB ASP A 76 0.309 -13.489 7.564 1.00 0.00 C ATOM 1175 CG ASP A 76 1.119 -14.771 7.535 1.00 0.00 C ATOM 1176 OD1 ASP A 76 2.009 -14.929 8.396 1.00 0.00 O ATOM 1177 OD2 ASP A 76 0.864 -15.614 6.649 1.00 0.00 O ATOM 0 H ASP A 76 -1.566 -12.019 8.232 1.00 0.00 H new ATOM 0 HA ASP A 76 0.176 -13.733 9.694 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.685 -13.681 7.159 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.780 -12.750 6.916 1.00 0.00 H new ATOM 1182 N LEU A 77 1.248 -10.739 8.900 1.00 0.00 N ATOM 1183 CA LEU A 77 2.313 -9.769 9.131 1.00 0.00 C ATOM 1184 C LEU A 77 2.125 -9.063 10.471 1.00 0.00 C ATOM 1185 O LEU A 77 2.669 -7.983 10.695 1.00 0.00 O ATOM 1186 CB LEU A 77 2.346 -8.739 8.000 1.00 0.00 C ATOM 1187 CG LEU A 77 2.650 -9.285 6.605 1.00 0.00 C ATOM 1188 CD1 LEU A 77 2.036 -8.392 5.537 1.00 0.00 C ATOM 1189 CD2 LEU A 77 4.152 -9.414 6.397 1.00 0.00 C ATOM 0 H LEU A 77 0.426 -10.359 8.431 1.00 0.00 H new ATOM 0 HA LEU A 77 3.261 -10.306 9.153 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.381 -8.233 7.968 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.094 -7.985 8.244 1.00 0.00 H new ATOM 0 HG LEU A 77 2.206 -10.277 6.520 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.263 -8.796 4.550 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.955 -8.352 5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.450 -7.387 5.621 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.349 -9.804 5.398 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.619 -8.435 6.503 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.565 -10.095 7.141 1.00 0.00 H new ATOM 1201 N GLU A 78 1.352 -9.683 11.357 1.00 0.00 N ATOM 1202 CA GLU A 78 1.094 -9.115 12.675 1.00 0.00 C ATOM 1203 C GLU A 78 0.309 -7.811 12.560 1.00 0.00 C ATOM 1204 O GLU A 78 0.462 -6.906 13.382 1.00 0.00 O ATOM 1205 CB GLU A 78 2.410 -8.867 13.414 1.00 0.00 C ATOM 1206 CG GLU A 78 3.296 -10.098 13.508 1.00 0.00 C ATOM 1207 CD GLU A 78 4.730 -9.758 13.867 1.00 0.00 C ATOM 1208 OE1 GLU A 78 5.459 -9.257 12.985 1.00 0.00 O ATOM 1209 OE2 GLU A 78 5.124 -9.994 15.028 1.00 0.00 O ATOM 0 H GLU A 78 0.894 -10.578 11.186 1.00 0.00 H new ATOM 0 HA GLU A 78 0.497 -9.830 13.241 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.958 -8.073 12.907 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.190 -8.510 14.420 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.889 -10.778 14.257 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.279 -10.627 12.555 1.00 0.00 H new ATOM 1216 N LEU A 79 -0.532 -7.721 11.536 1.00 0.00 N ATOM 1217 CA LEU A 79 -1.341 -6.528 11.312 1.00 0.00 C ATOM 1218 C LEU A 79 -2.823 -6.832 11.507 1.00 0.00 C ATOM 1219 O LEU A 79 -3.685 -6.117 10.997 1.00 0.00 O ATOM 1220 CB LEU A 79 -1.102 -5.982 9.904 1.00 0.00 C ATOM 1221 CG LEU A 79 0.342 -6.029 9.402 1.00 0.00 C ATOM 1222 CD1 LEU A 79 0.432 -5.492 7.982 1.00 0.00 C ATOM 1223 CD2 LEU A 79 1.255 -5.241 10.331 1.00 0.00 C ATOM 0 H LEU A 79 -0.672 -8.460 10.847 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.044 -5.775 12.042 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.726 -6.542 9.208 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.442 -4.947 9.875 1.00 0.00 H new ATOM 0 HG LEU A 79 0.671 -7.068 9.397 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.467 -5.533 7.642 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.191 -6.098 7.324 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.084 -4.459 7.961 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.279 -5.285 9.959 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.927 -4.202 10.368 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.214 -5.671 11.332 1.00 0.00 H new ATOM 1235 N ALA A 80 -3.112 -7.895 12.250 1.00 0.00 N ATOM 1236 CA ALA A 80 -4.489 -8.291 12.516 1.00 0.00 C ATOM 1237 C ALA A 80 -5.198 -7.259 13.386 1.00 0.00 C ATOM 1238 O ALA A 80 -6.207 -6.670 12.995 1.00 0.00 O ATOM 1239 CB ALA A 80 -4.527 -9.659 13.180 1.00 0.00 C ATOM 0 H ALA A 80 -2.410 -8.498 12.679 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.015 -8.348 11.563 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.562 -9.941 13.373 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.066 -10.396 12.522 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.980 -9.622 14.122 1.00 0.00 H new ATOM 1245 N PRO A 81 -4.662 -7.033 14.594 1.00 0.00 N ATOM 1246 CA PRO A 81 -5.228 -6.072 15.545 1.00 0.00 C ATOM 1247 C PRO A 81 -5.047 -4.629 15.087 1.00 0.00 C ATOM 1248 O PRO A 81 -5.890 -4.082 14.376 1.00 0.00 O ATOM 1249 CB PRO A 81 -4.432 -6.330 16.827 1.00 0.00 C ATOM 1250 CG PRO A 81 -3.139 -6.905 16.361 1.00 0.00 C ATOM 1251 CD PRO A 81 -3.461 -7.699 15.125 1.00 0.00 C ATOM 0 HA PRO A 81 -6.304 -6.200 15.662 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.276 -5.409 17.388 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.957 -7.020 17.487 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.418 -6.117 16.142 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.695 -7.540 17.128 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.640 -7.678 14.409 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.653 -8.746 15.359 1.00 0.00 H new ATOM 1259 N SER A 82 -3.941 -4.016 15.498 1.00 0.00 N ATOM 1260 CA SER A 82 -3.651 -2.635 15.133 1.00 0.00 C ATOM 1261 C SER A 82 -2.431 -2.559 14.219 1.00 0.00 C ATOM 1262 O SER A 82 -1.454 -3.282 14.410 1.00 0.00 O ATOM 1263 CB SER A 82 -3.416 -1.792 16.387 1.00 0.00 C ATOM 1264 OG SER A 82 -2.262 -2.227 17.085 1.00 0.00 O ATOM 0 H SER A 82 -3.231 -4.455 16.084 1.00 0.00 H new ATOM 0 HA SER A 82 -4.512 -2.239 14.594 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.303 -0.744 16.109 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.286 -1.856 17.041 1.00 0.00 H new ATOM 0 HG SER A 82 -2.133 -1.671 17.882 1.00 0.00 H new ATOM 1270 N ALA A 83 -2.497 -1.678 13.227 1.00 0.00 N ATOM 1271 CA ALA A 83 -1.398 -1.506 12.284 1.00 0.00 C ATOM 1272 C ALA A 83 -1.282 -0.053 11.837 1.00 0.00 C ATOM 1273 O ALA A 83 -2.287 0.642 11.685 1.00 0.00 O ATOM 1274 CB ALA A 83 -1.587 -2.417 11.081 1.00 0.00 C ATOM 0 H ALA A 83 -3.299 -1.072 13.055 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.472 -1.779 12.790 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.759 -2.278 10.386 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.613 -3.455 11.411 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.525 -2.172 10.583 1.00 0.00 H new ATOM 1280 N SER A 84 -0.050 0.401 11.628 1.00 0.00 N ATOM 1281 CA SER A 84 0.197 1.773 11.201 1.00 0.00 C ATOM 1282 C SER A 84 1.167 1.810 10.024 1.00 0.00 C ATOM 1283 O SER A 84 2.381 1.712 10.202 1.00 0.00 O ATOM 1284 CB SER A 84 0.756 2.597 12.363 1.00 0.00 C ATOM 1285 OG SER A 84 -0.118 2.565 13.478 1.00 0.00 O ATOM 0 H SER A 84 0.792 -0.162 11.748 1.00 0.00 H new ATOM 0 HA SER A 84 -0.751 2.204 10.881 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.733 2.209 12.651 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.905 3.628 12.043 1.00 0.00 H new ATOM 0 HG SER A 84 0.263 3.097 14.207 1.00 0.00 H new ATOM 1291 N VAL A 85 0.622 1.953 8.820 1.00 0.00 N ATOM 1292 CA VAL A 85 1.437 2.004 7.613 1.00 0.00 C ATOM 1293 C VAL A 85 1.588 3.436 7.112 1.00 0.00 C ATOM 1294 O VAL A 85 0.603 4.095 6.777 1.00 0.00 O ATOM 1295 CB VAL A 85 0.832 1.140 6.490 1.00 0.00 C ATOM 1296 CG1 VAL A 85 1.100 -0.335 6.748 1.00 0.00 C ATOM 1297 CG2 VAL A 85 -0.660 1.405 6.360 1.00 0.00 C ATOM 0 H VAL A 85 -0.381 2.036 8.655 1.00 0.00 H new ATOM 0 HA VAL A 85 2.418 1.609 7.877 1.00 0.00 H new ATOM 0 HB VAL A 85 1.309 1.412 5.548 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.665 -0.930 5.945 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.175 -0.508 6.787 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.651 -0.626 7.698 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.071 0.786 5.562 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.156 1.162 7.300 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.824 2.457 6.125 1.00 0.00 H new ATOM 1307 N VAL A 86 2.828 3.913 7.063 1.00 0.00 N ATOM 1308 CA VAL A 86 3.109 5.267 6.601 1.00 0.00 C ATOM 1309 C VAL A 86 3.127 5.335 5.078 1.00 0.00 C ATOM 1310 O VAL A 86 3.611 4.421 4.411 1.00 0.00 O ATOM 1311 CB VAL A 86 4.457 5.776 7.144 1.00 0.00 C ATOM 1312 CG1 VAL A 86 4.276 6.413 8.513 1.00 0.00 C ATOM 1313 CG2 VAL A 86 5.470 4.642 7.203 1.00 0.00 C ATOM 0 H VAL A 86 3.654 3.381 7.338 1.00 0.00 H new ATOM 0 HA VAL A 86 2.310 5.904 6.980 1.00 0.00 H new ATOM 0 HB VAL A 86 4.838 6.538 6.464 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.240 6.766 8.880 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.587 7.254 8.435 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.872 5.676 9.207 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.417 5.020 7.589 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.098 3.856 7.860 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.622 4.237 6.202 1.00 0.00 H new ATOM 1323 N LEU A 87 2.597 6.425 4.535 1.00 0.00 N ATOM 1324 CA LEU A 87 2.553 6.615 3.089 1.00 0.00 C ATOM 1325 C LEU A 87 3.737 7.449 2.612 1.00 0.00 C ATOM 1326 O LEU A 87 3.871 8.620 2.972 1.00 0.00 O ATOM 1327 CB LEU A 87 1.242 7.291 2.684 1.00 0.00 C ATOM 1328 CG LEU A 87 1.008 7.456 1.181 1.00 0.00 C ATOM 1329 CD1 LEU A 87 -0.479 7.420 0.866 1.00 0.00 C ATOM 1330 CD2 LEU A 87 1.630 8.752 0.683 1.00 0.00 C ATOM 0 H LEU A 87 2.192 7.191 5.074 1.00 0.00 H new ATOM 0 HA LEU A 87 2.611 5.634 2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.416 6.714 3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.207 8.277 3.147 1.00 0.00 H new ATOM 0 HG LEU A 87 1.488 6.625 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.627 7.539 -0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.896 6.465 1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.982 8.230 1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.454 8.852 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.180 9.596 1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.703 8.738 0.874 1.00 0.00 H new ATOM 1342 N LEU A 88 4.594 6.840 1.800 1.00 0.00 N ATOM 1343 CA LEU A 88 5.767 7.527 1.271 1.00 0.00 C ATOM 1344 C LEU A 88 5.555 7.925 -0.186 1.00 0.00 C ATOM 1345 O LEU A 88 5.529 7.087 -1.087 1.00 0.00 O ATOM 1346 CB LEU A 88 7.003 6.634 1.393 1.00 0.00 C ATOM 1347 CG LEU A 88 7.349 6.154 2.803 1.00 0.00 C ATOM 1348 CD1 LEU A 88 8.196 4.892 2.745 1.00 0.00 C ATOM 1349 CD2 LEU A 88 8.070 7.248 3.577 1.00 0.00 C ATOM 0 H LEU A 88 4.499 5.872 1.494 1.00 0.00 H new ATOM 0 HA LEU A 88 5.921 8.433 1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.859 5.759 0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.860 7.178 0.996 1.00 0.00 H new ATOM 0 HG LEU A 88 6.421 5.920 3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.432 4.566 3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.643 4.106 2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.120 5.099 2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.308 6.889 4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.991 7.514 3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.428 8.126 3.650 1.00 0.00 H new ATOM 1361 N PRO A 89 5.400 9.236 -0.424 1.00 0.00 N ATOM 1362 CA PRO A 89 5.190 9.776 -1.771 1.00 0.00 C ATOM 1363 C PRO A 89 6.437 9.665 -2.641 1.00 0.00 C ATOM 1364 O PRO A 89 7.558 9.825 -2.160 1.00 0.00 O ATOM 1365 CB PRO A 89 4.847 11.246 -1.514 1.00 0.00 C ATOM 1366 CG PRO A 89 5.483 11.560 -0.205 1.00 0.00 C ATOM 1367 CD PRO A 89 5.419 10.292 0.601 1.00 0.00 C ATOM 0 HA PRO A 89 4.416 9.231 -2.312 1.00 0.00 H new ATOM 0 HB2 PRO A 89 5.234 11.887 -2.306 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.769 11.400 -1.477 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.515 11.885 -0.340 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.957 12.370 0.300 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.279 10.193 1.263 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.528 10.259 1.228 1.00 0.00 H new ATOM 1375 N ALA A 90 6.234 9.389 -3.926 1.00 0.00 N ATOM 1376 CA ALA A 90 7.342 9.259 -4.863 1.00 0.00 C ATOM 1377 C ALA A 90 7.476 10.505 -5.732 1.00 0.00 C ATOM 1378 O ALA A 90 8.579 11.002 -5.956 1.00 0.00 O ATOM 1379 CB ALA A 90 7.155 8.024 -5.733 1.00 0.00 C ATOM 0 H ALA A 90 5.312 9.251 -4.341 1.00 0.00 H new ATOM 0 HA ALA A 90 8.261 9.149 -4.287 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.990 7.939 -6.428 1.00 0.00 H new ATOM 0 HB2 ALA A 90 7.117 7.136 -5.101 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.224 8.111 -6.293 1.00 0.00 H new ATOM 1385 N GLY A 91 6.345 11.005 -6.220 1.00 0.00 N ATOM 1386 CA GLY A 91 6.358 12.189 -7.059 1.00 0.00 C ATOM 1387 C GLY A 91 5.057 12.380 -7.812 1.00 0.00 C ATOM 1388 O GLY A 91 4.196 13.153 -7.391 1.00 0.00 O ATOM 0 H GLY A 91 5.420 10.611 -6.049 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.549 13.066 -6.441 1.00 0.00 H new ATOM 0 HA3 GLY A 91 7.179 12.116 -7.772 1.00 0.00 H new ATOM 1392 N ARG A 92 4.914 11.677 -8.931 1.00 0.00 N ATOM 1393 CA ARG A 92 3.709 11.775 -9.746 1.00 0.00 C ATOM 1394 C ARG A 92 3.552 10.545 -10.636 1.00 0.00 C ATOM 1395 O ARG A 92 4.528 9.909 -11.034 1.00 0.00 O ATOM 1396 CB ARG A 92 3.753 13.039 -10.608 1.00 0.00 C ATOM 1397 CG ARG A 92 4.898 13.055 -11.607 1.00 0.00 C ATOM 1398 CD ARG A 92 4.488 12.434 -12.934 1.00 0.00 C ATOM 1399 NE ARG A 92 3.515 13.258 -13.646 1.00 0.00 N ATOM 1400 CZ ARG A 92 3.848 14.292 -14.412 1.00 0.00 C ATOM 1401 NH1 ARG A 92 5.122 14.626 -14.563 1.00 0.00 N ATOM 1402 NH2 ARG A 92 2.905 14.994 -15.028 1.00 0.00 N ATOM 0 H ARG A 92 5.617 11.034 -9.294 1.00 0.00 H new ATOM 0 HA ARG A 92 2.851 11.829 -9.076 1.00 0.00 H new ATOM 0 HB2 ARG A 92 2.810 13.134 -11.147 1.00 0.00 H new ATOM 0 HB3 ARG A 92 3.837 13.910 -9.957 1.00 0.00 H new ATOM 0 HG2 ARG A 92 5.226 14.082 -11.770 1.00 0.00 H new ATOM 0 HG3 ARG A 92 5.748 12.510 -11.196 1.00 0.00 H new ATOM 0 HD2 ARG A 92 5.371 12.295 -13.558 1.00 0.00 H new ATOM 0 HD3 ARG A 92 4.065 11.445 -12.756 1.00 0.00 H new ATOM 0 HE ARG A 92 2.526 13.028 -13.550 1.00 0.00 H new ATOM 0 HH11 ARG A 92 5.849 14.089 -14.091 1.00 0.00 H new ATOM 0 HH12 ARG A 92 5.375 15.420 -15.151 1.00 0.00 H new ATOM 0 HH21 ARG A 92 1.924 14.740 -14.914 1.00 0.00 H new ATOM 0 HH22 ARG A 92 3.162 15.787 -15.616 1.00 0.00 H new ATOM 1416 N PRO A 93 2.296 10.202 -10.954 1.00 0.00 N ATOM 1417 CA PRO A 93 1.982 9.046 -11.800 1.00 0.00 C ATOM 1418 C PRO A 93 2.396 9.260 -13.252 1.00 0.00 C ATOM 1419 O PRO A 93 2.406 10.388 -13.744 1.00 0.00 O ATOM 1420 CB PRO A 93 0.460 8.929 -11.690 1.00 0.00 C ATOM 1421 CG PRO A 93 -0.003 10.305 -11.355 1.00 0.00 C ATOM 1422 CD PRO A 93 1.085 10.915 -10.515 1.00 0.00 C ATOM 0 HA PRO A 93 2.516 8.151 -11.481 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.021 8.580 -12.625 1.00 0.00 H new ATOM 0 HB3 PRO A 93 0.173 8.216 -10.918 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -0.173 10.890 -12.259 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.947 10.277 -10.811 1.00 0.00 H new ATOM 0 HD2 PRO A 93 1.168 11.989 -10.683 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.898 10.772 -9.451 1.00 0.00 H new ATOM 1430 N ALA A 94 2.736 8.170 -13.932 1.00 0.00 N ATOM 1431 CA ALA A 94 3.148 8.239 -15.328 1.00 0.00 C ATOM 1432 C ALA A 94 2.348 7.264 -16.186 1.00 0.00 C ATOM 1433 O ALA A 94 2.011 7.562 -17.332 1.00 0.00 O ATOM 1434 CB ALA A 94 4.638 7.955 -15.453 1.00 0.00 C ATOM 0 H ALA A 94 2.734 7.229 -13.539 1.00 0.00 H new ATOM 0 HA ALA A 94 2.950 9.248 -15.690 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.932 8.010 -16.501 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.198 8.693 -14.880 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.852 6.958 -15.068 1.00 0.00 H new ATOM 1440 N THR A 95 2.047 6.098 -15.624 1.00 0.00 N ATOM 1441 CA THR A 95 1.288 5.079 -16.337 1.00 0.00 C ATOM 1442 C THR A 95 0.607 4.120 -15.367 1.00 0.00 C ATOM 1443 O THR A 95 1.103 3.880 -14.266 1.00 0.00 O ATOM 1444 CB THR A 95 2.190 4.271 -17.290 1.00 0.00 C ATOM 1445 OG1 THR A 95 1.400 3.348 -18.047 1.00 0.00 O ATOM 1446 CG2 THR A 95 3.258 3.515 -16.514 1.00 0.00 C ATOM 0 H THR A 95 2.318 5.836 -14.676 1.00 0.00 H new ATOM 0 HA THR A 95 0.529 5.601 -16.920 1.00 0.00 H new ATOM 0 HB THR A 95 2.682 4.969 -17.968 1.00 0.00 H new ATOM 0 HG1 THR A 95 1.980 2.840 -18.651 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.882 2.952 -17.208 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.876 4.223 -15.962 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.782 2.827 -15.815 1.00 0.00 H new ATOM 1454 N SER A 96 -0.532 3.575 -15.783 1.00 0.00 N ATOM 1455 CA SER A 96 -1.283 2.644 -14.948 1.00 0.00 C ATOM 1456 C SER A 96 -1.653 1.389 -15.732 1.00 0.00 C ATOM 1457 O SER A 96 -2.639 1.373 -16.469 1.00 0.00 O ATOM 1458 CB SER A 96 -2.548 3.316 -14.411 1.00 0.00 C ATOM 1459 OG SER A 96 -2.962 2.724 -13.192 1.00 0.00 O ATOM 0 H SER A 96 -0.955 3.762 -16.692 1.00 0.00 H new ATOM 0 HA SER A 96 -0.650 2.353 -14.109 1.00 0.00 H new ATOM 0 HB2 SER A 96 -2.362 4.379 -14.258 1.00 0.00 H new ATOM 0 HB3 SER A 96 -3.347 3.235 -15.148 1.00 0.00 H new ATOM 0 HG SER A 96 -3.771 3.172 -12.869 1.00 0.00 H new ATOM 1465 N ILE A 97 -0.855 0.340 -15.567 1.00 0.00 N ATOM 1466 CA ILE A 97 -1.098 -0.921 -16.258 1.00 0.00 C ATOM 1467 C ILE A 97 -2.002 -1.832 -15.435 1.00 0.00 C ATOM 1468 O ILE A 97 -2.005 -1.777 -14.206 1.00 0.00 O ATOM 1469 CB ILE A 97 0.218 -1.660 -16.561 1.00 0.00 C ATOM 1470 CG1 ILE A 97 0.936 -2.023 -15.260 1.00 0.00 C ATOM 1471 CG2 ILE A 97 1.114 -0.806 -17.446 1.00 0.00 C ATOM 1472 CD1 ILE A 97 0.553 -3.382 -14.717 1.00 0.00 C ATOM 0 H ILE A 97 -0.035 0.338 -14.961 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.591 -0.676 -17.198 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.015 -2.581 -17.095 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.012 -1.999 -15.430 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.715 -1.265 -14.509 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.040 -1.342 -17.651 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.602 -0.593 -18.385 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.342 0.130 -16.937 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.100 -3.572 -13.794 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.518 -3.405 -14.515 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.800 -4.150 -15.450 1.00 0.00 H new ATOM 1484 N VAL A 98 -2.768 -2.674 -16.123 1.00 0.00 N ATOM 1485 CA VAL A 98 -3.675 -3.601 -15.456 1.00 0.00 C ATOM 1486 C VAL A 98 -3.928 -4.835 -16.315 1.00 0.00 C ATOM 1487 O VAL A 98 -4.259 -4.725 -17.496 1.00 0.00 O ATOM 1488 CB VAL A 98 -5.023 -2.930 -15.130 1.00 0.00 C ATOM 1489 CG1 VAL A 98 -5.593 -2.248 -16.365 1.00 0.00 C ATOM 1490 CG2 VAL A 98 -6.004 -3.951 -14.574 1.00 0.00 C ATOM 0 H VAL A 98 -2.778 -2.733 -17.141 1.00 0.00 H new ATOM 0 HA VAL A 98 -3.193 -3.902 -14.526 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.856 -2.168 -14.369 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -6.545 -1.780 -16.115 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.895 -1.487 -16.715 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.748 -2.988 -17.150 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.951 -3.461 -14.349 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.168 -4.737 -15.311 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.596 -4.388 -13.663 1.00 0.00 H new ATOM 1500 N HIS A 99 -3.772 -6.010 -15.714 1.00 0.00 N ATOM 1501 CA HIS A 99 -3.985 -7.266 -16.423 1.00 0.00 C ATOM 1502 C HIS A 99 -5.355 -7.851 -16.093 1.00 0.00 C ATOM 1503 O HIS A 99 -5.675 -8.088 -14.929 1.00 0.00 O ATOM 1504 CB HIS A 99 -2.889 -8.271 -16.065 1.00 0.00 C ATOM 1505 CG HIS A 99 -2.343 -8.094 -14.682 1.00 0.00 C ATOM 1506 ND1 HIS A 99 -1.069 -7.630 -14.429 1.00 0.00 N ATOM 1507 CD2 HIS A 99 -2.906 -8.319 -13.472 1.00 0.00 C ATOM 1508 CE1 HIS A 99 -0.872 -7.580 -13.124 1.00 0.00 C ATOM 1509 NE2 HIS A 99 -1.972 -7.992 -12.520 1.00 0.00 N ATOM 0 H HIS A 99 -3.499 -6.118 -14.737 1.00 0.00 H new ATOM 0 HA HIS A 99 -3.945 -7.062 -17.493 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -3.287 -9.281 -16.163 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -2.074 -8.179 -16.783 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -3.905 -8.687 -13.289 1.00 0.00 H new ATOM 0 HE1 HIS A 99 0.035 -7.257 -12.634 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -2.106 -8.057 -11.511 1.00 0.00 H new ATOM 1518 N SER A 100 -6.159 -8.081 -17.126 1.00 0.00 N ATOM 1519 CA SER A 100 -7.497 -8.633 -16.945 1.00 0.00 C ATOM 1520 C SER A 100 -8.019 -9.228 -18.250 1.00 0.00 C ATOM 1521 O SER A 100 -7.956 -8.594 -19.303 1.00 0.00 O ATOM 1522 CB SER A 100 -8.455 -7.551 -16.445 1.00 0.00 C ATOM 1523 OG SER A 100 -8.156 -7.184 -15.109 1.00 0.00 O ATOM 0 H SER A 100 -5.908 -7.894 -18.097 1.00 0.00 H new ATOM 0 HA SER A 100 -7.439 -9.427 -16.201 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.388 -6.675 -17.090 1.00 0.00 H new ATOM 0 HB3 SER A 100 -9.481 -7.913 -16.505 1.00 0.00 H new ATOM 0 HG SER A 100 -7.435 -7.753 -14.767 1.00 0.00 H new ATOM 1529 N SER A 101 -8.536 -10.450 -18.170 1.00 0.00 N ATOM 1530 CA SER A 101 -9.067 -11.133 -19.344 1.00 0.00 C ATOM 1531 C SER A 101 -10.104 -12.177 -18.942 1.00 0.00 C ATOM 1532 O SER A 101 -9.779 -13.177 -18.301 1.00 0.00 O ATOM 1533 CB SER A 101 -7.935 -11.798 -20.129 1.00 0.00 C ATOM 1534 OG SER A 101 -8.352 -12.133 -21.441 1.00 0.00 O ATOM 0 H SER A 101 -8.598 -10.987 -17.305 1.00 0.00 H new ATOM 0 HA SER A 101 -9.551 -10.390 -19.978 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.078 -11.126 -20.177 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.606 -12.697 -19.608 1.00 0.00 H new ATOM 0 HG SER A 101 -7.610 -12.555 -21.922 1.00 0.00 H new ATOM 1540 N SER A 102 -11.355 -11.938 -19.324 1.00 0.00 N ATOM 1541 CA SER A 102 -12.442 -12.855 -19.000 1.00 0.00 C ATOM 1542 C SER A 102 -12.344 -13.323 -17.552 1.00 0.00 C ATOM 1543 O SER A 102 -12.528 -14.503 -17.255 1.00 0.00 O ATOM 1544 CB SER A 102 -12.416 -14.061 -19.941 1.00 0.00 C ATOM 1545 OG SER A 102 -12.965 -13.733 -21.206 1.00 0.00 O ATOM 0 H SER A 102 -11.641 -11.117 -19.858 1.00 0.00 H new ATOM 0 HA SER A 102 -13.385 -12.323 -19.128 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.390 -14.407 -20.065 1.00 0.00 H new ATOM 0 HB3 SER A 102 -12.979 -14.883 -19.499 1.00 0.00 H new ATOM 0 HG SER A 102 -12.935 -14.520 -21.789 1.00 0.00 H new ATOM 1551 N GLY A 103 -12.053 -12.388 -16.652 1.00 0.00 N ATOM 1552 CA GLY A 103 -11.936 -12.724 -15.245 1.00 0.00 C ATOM 1553 C GLY A 103 -13.284 -12.843 -14.563 1.00 0.00 C ATOM 1554 O GLY A 103 -13.904 -11.837 -14.216 1.00 0.00 O ATOM 0 H GLY A 103 -11.896 -11.404 -16.872 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -11.397 -13.666 -15.143 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.343 -11.961 -14.741 1.00 0.00 H new ATOM 1558 N ASP A 104 -13.742 -14.075 -14.371 1.00 0.00 N ATOM 1559 CA ASP A 104 -15.026 -14.323 -13.727 1.00 0.00 C ATOM 1560 C ASP A 104 -15.111 -15.758 -13.216 1.00 0.00 C ATOM 1561 O ASP A 104 -14.187 -16.550 -13.405 1.00 0.00 O ATOM 1562 CB ASP A 104 -16.172 -14.047 -14.702 1.00 0.00 C ATOM 1563 CG ASP A 104 -17.463 -13.688 -13.992 1.00 0.00 C ATOM 1564 OD1 ASP A 104 -17.587 -12.533 -13.533 1.00 0.00 O ATOM 1565 OD2 ASP A 104 -18.349 -14.563 -13.896 1.00 0.00 O ATOM 0 H ASP A 104 -13.242 -14.918 -14.653 1.00 0.00 H new ATOM 0 HA ASP A 104 -15.113 -13.648 -12.876 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -15.889 -13.233 -15.369 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -16.336 -14.927 -15.324 1.00 0.00 H new ATOM 1570 N ILE A 105 -16.224 -16.086 -12.569 1.00 0.00 N ATOM 1571 CA ILE A 105 -16.429 -17.425 -12.032 1.00 0.00 C ATOM 1572 C ILE A 105 -17.271 -18.274 -12.978 1.00 0.00 C ATOM 1573 O ILE A 105 -18.275 -17.809 -13.520 1.00 0.00 O ATOM 1574 CB ILE A 105 -17.113 -17.380 -10.653 1.00 0.00 C ATOM 1575 CG1 ILE A 105 -16.297 -16.526 -9.682 1.00 0.00 C ATOM 1576 CG2 ILE A 105 -17.294 -18.788 -10.105 1.00 0.00 C ATOM 1577 CD1 ILE A 105 -17.087 -16.054 -8.481 1.00 0.00 C ATOM 0 H ILE A 105 -16.998 -15.442 -12.404 1.00 0.00 H new ATOM 0 HA ILE A 105 -15.443 -17.876 -11.924 1.00 0.00 H new ATOM 0 HB ILE A 105 -18.097 -16.926 -10.767 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -15.438 -17.102 -9.338 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -15.907 -15.658 -10.214 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -17.779 -18.739 -9.130 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -17.913 -19.368 -10.789 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -16.320 -19.267 -10.003 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -16.445 -15.454 -7.836 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -17.931 -15.451 -8.815 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -17.455 -16.917 -7.926 1.00 0.00 H new ATOM 1589 N LEU A 106 -16.858 -19.522 -13.171 1.00 0.00 N ATOM 1590 CA LEU A 106 -17.576 -20.438 -14.050 1.00 0.00 C ATOM 1591 C LEU A 106 -17.882 -21.751 -13.336 1.00 0.00 C ATOM 1592 O LEU A 106 -17.373 -22.009 -12.246 1.00 0.00 O ATOM 1593 CB LEU A 106 -16.757 -20.711 -15.313 1.00 0.00 C ATOM 1594 CG LEU A 106 -15.801 -21.902 -15.249 1.00 0.00 C ATOM 1595 CD1 LEU A 106 -15.414 -22.352 -16.649 1.00 0.00 C ATOM 1596 CD2 LEU A 106 -14.562 -21.549 -14.439 1.00 0.00 C ATOM 0 H LEU A 106 -16.030 -19.923 -12.731 1.00 0.00 H new ATOM 0 HA LEU A 106 -18.519 -19.969 -14.330 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -17.447 -20.869 -16.142 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -16.177 -19.818 -15.546 1.00 0.00 H new ATOM 0 HG LEU A 106 -16.312 -22.727 -14.753 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -14.733 -23.201 -16.583 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -16.309 -22.646 -17.197 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -14.922 -21.532 -17.172 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -13.893 -22.409 -14.404 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -14.049 -20.709 -14.906 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -14.856 -21.276 -13.425 1.00 0.00 H new ATOM 1608 N MET A 107 -18.716 -22.577 -13.959 1.00 0.00 N ATOM 1609 CA MET A 107 -19.087 -23.865 -13.385 1.00 0.00 C ATOM 1610 C MET A 107 -19.405 -24.877 -14.480 1.00 0.00 C ATOM 1611 O MET A 107 -20.435 -24.779 -15.149 1.00 0.00 O ATOM 1612 CB MET A 107 -20.293 -23.704 -12.456 1.00 0.00 C ATOM 1613 CG MET A 107 -20.858 -25.025 -11.961 1.00 0.00 C ATOM 1614 SD MET A 107 -21.634 -24.884 -10.340 1.00 0.00 S ATOM 1615 CE MET A 107 -20.213 -25.072 -9.266 1.00 0.00 C ATOM 0 H MET A 107 -19.148 -22.377 -14.861 1.00 0.00 H new ATOM 0 HA MET A 107 -18.240 -24.236 -12.808 1.00 0.00 H new ATOM 0 HB2 MET A 107 -20.002 -23.098 -11.598 1.00 0.00 H new ATOM 0 HB3 MET A 107 -21.076 -23.157 -12.982 1.00 0.00 H new ATOM 0 HG2 MET A 107 -21.590 -25.395 -12.679 1.00 0.00 H new ATOM 0 HG3 MET A 107 -20.057 -25.763 -11.913 1.00 0.00 H new ATOM 0 HE1 MET A 107 -20.532 -25.008 -8.226 1.00 0.00 H new ATOM 0 HE2 MET A 107 -19.748 -26.042 -9.444 1.00 0.00 H new ATOM 0 HE3 MET A 107 -19.492 -24.281 -9.474 1.00 0.00 H new ATOM 1625 N ILE A 108 -18.516 -25.849 -14.657 1.00 0.00 N ATOM 1626 CA ILE A 108 -18.704 -26.879 -15.671 1.00 0.00 C ATOM 1627 C ILE A 108 -18.859 -28.256 -15.033 1.00 0.00 C ATOM 1628 O ILE A 108 -18.130 -28.608 -14.106 1.00 0.00 O ATOM 1629 CB ILE A 108 -17.526 -26.915 -16.662 1.00 0.00 C ATOM 1630 CG1 ILE A 108 -17.367 -25.557 -17.350 1.00 0.00 C ATOM 1631 CG2 ILE A 108 -17.733 -28.015 -17.692 1.00 0.00 C ATOM 1632 CD1 ILE A 108 -16.042 -25.390 -18.058 1.00 0.00 C ATOM 0 H ILE A 108 -17.659 -25.945 -14.112 1.00 0.00 H new ATOM 0 HA ILE A 108 -19.616 -26.627 -16.212 1.00 0.00 H new ATOM 0 HB ILE A 108 -16.612 -27.130 -16.108 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -18.174 -25.428 -18.071 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -17.474 -24.767 -16.606 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -16.892 -28.027 -18.385 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -17.801 -28.978 -17.187 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -18.655 -27.829 -18.243 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -15.999 -24.405 -18.522 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -15.230 -25.487 -17.338 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -15.940 -26.158 -18.825 1.00 0.00 H new ATOM 1644 N ASP A 109 -19.813 -29.031 -15.538 1.00 0.00 N ATOM 1645 CA ASP A 109 -20.063 -30.371 -15.020 1.00 0.00 C ATOM 1646 C ASP A 109 -19.305 -31.417 -15.830 1.00 0.00 C ATOM 1647 O ASP A 109 -19.708 -31.769 -16.940 1.00 0.00 O ATOM 1648 CB ASP A 109 -21.562 -30.678 -15.042 1.00 0.00 C ATOM 1649 CG ASP A 109 -21.870 -32.089 -14.581 1.00 0.00 C ATOM 1650 OD1 ASP A 109 -21.032 -32.675 -13.865 1.00 0.00 O ATOM 1651 OD2 ASP A 109 -22.949 -32.607 -14.938 1.00 0.00 O ATOM 0 H ASP A 109 -20.426 -28.754 -16.305 1.00 0.00 H new ATOM 0 HA ASP A 109 -19.708 -30.408 -13.990 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -22.085 -29.967 -14.402 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -21.944 -30.538 -16.053 1.00 0.00 H new TER 1656 ASP A 109