USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 663 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 89 CYS SG : rot -27:sc= 0.127 USER MOD Set 1.2: A 90 GLN : amide:sc= -0.353! C(o=0.39!,f=-13!) USER MOD Set 1.3: A 99 THR OG1 : rot -89:sc= 0.615 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -179:sc= -1.77! USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.801! USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 33 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.38) USER MOD Single : A 35 TYR OH : rot 165:sc= -1.89! USER MOD Single : A 40 THR OG1 : rot -103:sc= -1.02! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.466 X(o=-0.47,f=-0.063) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 50 CYS SG : rot 180:sc= -0.0787 USER MOD Single : A 54 ASN : amide:sc= -6.16! C(o=-6.2!,f=-9.4!) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.489 USER MOD Single : A 81 GLN :FLIP amide:sc= -11.9! C(o=-17!,f=-12!) USER MOD Single : A 82 SER OG : rot 61:sc= -3.23 USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 134:sc= 1.01 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 92:sc= 0.69 USER MOD Single : A 104 HIS : no HD1:sc=-0.00907 X(o=-0.0091,f=-0.0091) USER MOD Single : A 108 THR OG1 : rot 40:sc= -3.44! USER MOD Single : A 111 LYS NZ :NH3+ -162:sc= -0.11 (180deg=-0.594) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= -0.0254 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc= -12.3! C(o=-12!,f=-16!) USER MOD ----------------------------------------------------------------- ATOM 52 N ARG A 15 -10.935 9.295 4.107 1.00 0.00 N ATOM 53 CA ARG A 15 -11.191 7.909 4.620 1.00 0.00 C ATOM 54 C ARG A 15 -12.134 7.177 3.677 1.00 0.00 C ATOM 55 O ARG A 15 -13.223 6.791 4.029 1.00 0.00 O ATOM 56 CB ARG A 15 -11.797 7.947 6.025 1.00 0.00 C ATOM 57 CG ARG A 15 -11.736 6.547 6.598 1.00 0.00 C ATOM 58 CD ARG A 15 -12.380 6.450 7.957 1.00 0.00 C ATOM 59 NE ARG A 15 -11.998 5.113 8.620 1.00 0.00 N ATOM 60 CZ ARG A 15 -11.813 4.151 7.745 1.00 0.00 C ATOM 61 NH1 ARG A 15 -12.882 3.920 7.219 1.00 0.00 N ATOM 62 NH2 ARG A 15 -11.361 3.256 8.492 1.00 0.00 N ATOM 0 HA ARG A 15 -10.238 7.382 4.670 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -11.247 8.643 6.659 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -12.828 8.298 5.986 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -12.231 5.857 5.915 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.695 6.233 6.670 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -12.058 7.282 8.583 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -13.463 6.523 7.862 1.00 0.00 H new ATOM 0 HE ARG A 15 -11.900 4.988 9.628 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.710 4.448 7.493 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.952 3.197 6.502 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.246 3.434 9.490 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.108 2.347 8.104 1.00 0.00 H new ATOM 76 N VAL A 16 -11.715 6.995 2.470 1.00 0.00 N ATOM 77 CA VAL A 16 -12.582 6.304 1.476 1.00 0.00 C ATOM 78 C VAL A 16 -11.710 5.428 0.584 1.00 0.00 C ATOM 79 O VAL A 16 -10.512 5.382 0.736 1.00 0.00 O ATOM 80 CB VAL A 16 -13.304 7.361 0.646 1.00 0.00 C ATOM 81 CG1 VAL A 16 -14.876 7.221 0.833 1.00 0.00 C ATOM 82 CG2 VAL A 16 -12.871 8.799 1.177 1.00 0.00 C ATOM 0 H VAL A 16 -10.805 7.294 2.119 1.00 0.00 H new ATOM 0 HA VAL A 16 -13.319 5.674 1.975 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.046 7.232 -0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.382 7.980 0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -15.194 6.231 0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -15.131 7.356 1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -13.377 9.569 0.595 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.147 8.897 2.227 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -11.792 8.916 1.073 1.00 0.00 H new ATOM 92 N PRO A 17 -12.315 4.709 -0.309 1.00 0.00 N ATOM 93 CA PRO A 17 -11.572 3.831 -1.238 1.00 0.00 C ATOM 94 C PRO A 17 -11.123 4.586 -2.474 1.00 0.00 C ATOM 95 O PRO A 17 -11.840 5.365 -3.065 1.00 0.00 O ATOM 96 CB PRO A 17 -12.576 2.708 -1.557 1.00 0.00 C ATOM 97 CG PRO A 17 -13.940 3.237 -1.253 1.00 0.00 C ATOM 98 CD PRO A 17 -13.784 4.601 -0.566 1.00 0.00 C ATOM 0 HA PRO A 17 -10.647 3.441 -0.814 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.502 2.412 -2.603 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -12.365 1.821 -0.959 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.522 3.337 -2.169 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.480 2.546 -0.607 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -14.139 5.412 -1.202 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -14.356 4.649 0.360 1.00 0.00 H new ATOM 106 N SER A 18 -9.899 4.372 -2.855 1.00 0.00 N ATOM 107 CA SER A 18 -9.342 5.063 -4.053 1.00 0.00 C ATOM 108 C SER A 18 -8.468 4.099 -4.841 1.00 0.00 C ATOM 109 O SER A 18 -7.719 3.322 -4.299 1.00 0.00 O ATOM 110 CB SER A 18 -8.504 6.271 -3.619 1.00 0.00 C ATOM 111 OG SER A 18 -8.054 6.974 -4.764 1.00 0.00 O ATOM 0 H SER A 18 -9.251 3.741 -2.384 1.00 0.00 H new ATOM 0 HA SER A 18 -10.166 5.404 -4.680 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.098 6.930 -2.986 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.652 5.941 -3.025 1.00 0.00 H new ATOM 0 HG SER A 18 -7.520 7.747 -4.485 1.00 0.00 H new ATOM 117 N SER A 19 -8.572 4.143 -6.127 1.00 0.00 N ATOM 118 CA SER A 19 -7.759 3.234 -6.988 1.00 0.00 C ATOM 119 C SER A 19 -6.548 3.981 -7.514 1.00 0.00 C ATOM 120 O SER A 19 -6.577 5.154 -7.798 1.00 0.00 O ATOM 121 CB SER A 19 -8.614 2.754 -8.162 1.00 0.00 C ATOM 122 OG SER A 19 -7.801 2.092 -9.118 1.00 0.00 O ATOM 0 H SER A 19 -9.191 4.775 -6.635 1.00 0.00 H new ATOM 0 HA SER A 19 -7.427 2.377 -6.403 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.391 2.079 -7.804 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.118 3.602 -8.626 1.00 0.00 H new ATOM 0 HG SER A 19 -8.354 1.801 -9.873 1.00 0.00 H new ATOM 128 N VAL A 20 -5.462 3.299 -7.623 1.00 0.00 N ATOM 129 CA VAL A 20 -4.225 3.950 -8.100 1.00 0.00 C ATOM 130 C VAL A 20 -3.376 2.932 -8.860 1.00 0.00 C ATOM 131 O VAL A 20 -3.739 1.792 -9.011 1.00 0.00 O ATOM 132 CB VAL A 20 -3.481 4.511 -6.887 1.00 0.00 C ATOM 133 CG1 VAL A 20 -4.013 3.856 -5.535 1.00 0.00 C ATOM 134 CG2 VAL A 20 -1.940 4.163 -7.011 1.00 0.00 C ATOM 0 H VAL A 20 -5.373 2.308 -7.401 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.451 4.768 -8.784 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.645 5.588 -6.862 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.467 4.273 -4.689 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.076 4.069 -5.421 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.861 2.777 -5.569 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.406 4.561 -6.148 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.813 3.081 -7.048 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.539 4.607 -7.922 1.00 0.00 H new ATOM 144 N SER A 21 -2.257 3.339 -9.371 1.00 0.00 N ATOM 145 CA SER A 21 -1.394 2.387 -10.142 1.00 0.00 C ATOM 146 C SER A 21 -0.047 2.262 -9.459 1.00 0.00 C ATOM 147 O SER A 21 0.424 3.161 -8.803 1.00 0.00 O ATOM 148 CB SER A 21 -1.200 2.910 -11.571 1.00 0.00 C ATOM 149 OG SER A 21 -2.440 2.850 -12.264 1.00 0.00 O ATOM 0 H SER A 21 -1.893 4.289 -9.294 1.00 0.00 H new ATOM 0 HA SER A 21 -1.875 1.409 -10.179 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.832 3.936 -11.549 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.450 2.313 -12.091 1.00 0.00 H new ATOM 0 HG SER A 21 -2.321 3.185 -13.177 1.00 0.00 H new ATOM 155 N VAL A 22 0.568 1.157 -9.605 1.00 0.00 N ATOM 156 CA VAL A 22 1.883 0.940 -8.966 1.00 0.00 C ATOM 157 C VAL A 22 2.777 2.138 -9.266 1.00 0.00 C ATOM 158 O VAL A 22 3.651 2.501 -8.502 1.00 0.00 O ATOM 159 CB VAL A 22 2.471 -0.353 -9.539 1.00 0.00 C ATOM 160 CG1 VAL A 22 2.782 -0.169 -11.092 1.00 0.00 C ATOM 161 CG2 VAL A 22 3.821 -0.698 -8.798 1.00 0.00 C ATOM 0 H VAL A 22 0.219 0.368 -10.150 1.00 0.00 H new ATOM 0 HA VAL A 22 1.796 0.845 -7.884 1.00 0.00 H new ATOM 0 HB VAL A 22 1.748 -1.157 -9.398 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.200 -1.093 -11.491 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.860 0.071 -11.622 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.499 0.641 -11.226 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.236 -1.618 -9.208 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.532 0.116 -8.940 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.628 -0.830 -7.733 1.00 0.00 H new ATOM 171 N THR A 23 2.535 2.795 -10.353 1.00 0.00 N ATOM 172 CA THR A 23 3.366 3.984 -10.715 1.00 0.00 C ATOM 173 C THR A 23 3.145 5.087 -9.673 1.00 0.00 C ATOM 174 O THR A 23 4.054 5.539 -9.027 1.00 0.00 O ATOM 175 CB THR A 23 2.951 4.518 -12.091 1.00 0.00 C ATOM 176 OG1 THR A 23 2.250 5.718 -11.898 1.00 0.00 O ATOM 177 CG2 THR A 23 1.987 3.472 -12.808 1.00 0.00 C ATOM 0 H THR A 23 1.795 2.566 -11.017 1.00 0.00 H new ATOM 0 HA THR A 23 4.415 3.690 -10.741 1.00 0.00 H new ATOM 0 HB THR A 23 3.834 4.676 -12.710 1.00 0.00 H new ATOM 0 HG1 THR A 23 1.975 6.080 -12.766 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.695 3.857 -13.785 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.508 2.523 -12.932 1.00 0.00 H new ATOM 0 HG23 THR A 23 1.097 3.320 -12.198 1.00 0.00 H new ATOM 185 N VAL A 24 1.931 5.524 -9.490 1.00 0.00 N ATOM 186 CA VAL A 24 1.685 6.595 -8.478 1.00 0.00 C ATOM 187 C VAL A 24 2.113 6.103 -7.108 1.00 0.00 C ATOM 188 O VAL A 24 2.628 6.831 -6.300 1.00 0.00 O ATOM 189 CB VAL A 24 0.189 6.960 -8.451 1.00 0.00 C ATOM 190 CG1 VAL A 24 0.042 8.539 -8.542 1.00 0.00 C ATOM 191 CG2 VAL A 24 -0.581 6.342 -9.714 1.00 0.00 C ATOM 0 H VAL A 24 1.106 5.193 -9.989 1.00 0.00 H new ATOM 0 HA VAL A 24 2.262 7.480 -8.745 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.237 6.563 -7.529 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.014 8.808 -8.524 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.549 9.001 -7.695 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.490 8.893 -9.470 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.635 6.616 -9.668 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.144 6.733 -10.633 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.488 5.256 -9.701 1.00 0.00 H new ATOM 201 N ALA A 25 1.930 4.856 -6.849 1.00 0.00 N ATOM 202 CA ALA A 25 2.351 4.299 -5.539 1.00 0.00 C ATOM 203 C ALA A 25 3.805 4.702 -5.288 1.00 0.00 C ATOM 204 O ALA A 25 4.203 4.990 -4.177 1.00 0.00 O ATOM 205 CB ALA A 25 2.258 2.709 -5.605 1.00 0.00 C ATOM 0 H ALA A 25 1.504 4.186 -7.489 1.00 0.00 H new ATOM 0 HA ALA A 25 1.712 4.676 -4.741 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.565 2.287 -4.648 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.231 2.413 -5.820 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.914 2.339 -6.392 1.00 0.00 H new ATOM 211 N HIS A 26 4.599 4.718 -6.308 1.00 0.00 N ATOM 212 CA HIS A 26 6.030 5.100 -6.136 1.00 0.00 C ATOM 213 C HIS A 26 6.073 6.498 -5.528 1.00 0.00 C ATOM 214 O HIS A 26 6.800 6.761 -4.599 1.00 0.00 O ATOM 215 CB HIS A 26 6.715 5.072 -7.515 1.00 0.00 C ATOM 216 CG HIS A 26 8.199 5.336 -7.403 1.00 0.00 C ATOM 217 ND1 HIS A 26 8.745 6.607 -7.537 1.00 0.00 N ATOM 218 CD2 HIS A 26 9.249 4.509 -7.094 1.00 0.00 C ATOM 219 CE1 HIS A 26 10.070 6.502 -7.305 1.00 0.00 C ATOM 220 NE2 HIS A 26 10.431 5.254 -7.031 1.00 0.00 N ATOM 0 H HIS A 26 4.325 4.483 -7.262 1.00 0.00 H new ATOM 0 HA HIS A 26 6.554 4.408 -5.477 1.00 0.00 H new ATOM 0 HB2 HIS A 26 6.552 4.102 -7.984 1.00 0.00 H new ATOM 0 HB3 HIS A 26 6.259 5.820 -8.164 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.174 3.445 -6.925 1.00 0.00 H new ATOM 0 HE1 HIS A 26 10.756 7.335 -7.338 1.00 0.00 H new ATOM 0 HE2 HIS A 26 11.369 4.912 -6.820 1.00 0.00 H new ATOM 229 N ASP A 27 5.263 7.394 -6.019 1.00 0.00 N ATOM 230 CA ASP A 27 5.226 8.782 -5.436 1.00 0.00 C ATOM 231 C ASP A 27 4.838 8.684 -3.965 1.00 0.00 C ATOM 232 O ASP A 27 5.388 9.341 -3.112 1.00 0.00 O ATOM 233 CB ASP A 27 4.144 9.622 -6.132 1.00 0.00 C ATOM 234 CG ASP A 27 4.512 9.923 -7.590 1.00 0.00 C ATOM 235 OD1 ASP A 27 5.650 9.684 -7.944 1.00 0.00 O ATOM 236 OD2 ASP A 27 3.655 10.360 -8.330 1.00 0.00 O ATOM 0 H ASP A 27 4.623 7.234 -6.797 1.00 0.00 H new ATOM 0 HA ASP A 27 6.205 9.242 -5.567 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.193 9.091 -6.099 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.005 10.558 -5.591 1.00 0.00 H new ATOM 241 N LEU A 28 3.868 7.875 -3.673 1.00 0.00 N ATOM 242 CA LEU A 28 3.413 7.721 -2.264 1.00 0.00 C ATOM 243 C LEU A 28 4.536 7.069 -1.456 1.00 0.00 C ATOM 244 O LEU A 28 4.746 7.366 -0.302 1.00 0.00 O ATOM 245 CB LEU A 28 2.144 6.854 -2.262 1.00 0.00 C ATOM 246 CG LEU A 28 0.917 7.683 -2.646 1.00 0.00 C ATOM 247 CD1 LEU A 28 1.001 8.022 -4.201 1.00 0.00 C ATOM 248 CD2 LEU A 28 -0.408 6.806 -2.425 1.00 0.00 C ATOM 0 H LEU A 28 3.363 7.307 -4.353 1.00 0.00 H new ATOM 0 HA LEU A 28 3.180 8.685 -1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.263 6.027 -2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.998 6.417 -1.274 1.00 0.00 H new ATOM 0 HG LEU A 28 0.887 8.588 -2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.133 8.613 -4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.910 8.589 -4.401 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.018 7.096 -4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.284 7.395 -2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.362 5.913 -3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.480 6.513 -1.378 1.00 0.00 H new ATOM 260 N LEU A 29 5.283 6.206 -2.077 1.00 0.00 N ATOM 261 CA LEU A 29 6.427 5.533 -1.382 1.00 0.00 C ATOM 262 C LEU A 29 7.323 6.635 -0.776 1.00 0.00 C ATOM 263 O LEU A 29 7.804 6.528 0.330 1.00 0.00 O ATOM 264 CB LEU A 29 7.217 4.714 -2.440 1.00 0.00 C ATOM 265 CG LEU A 29 8.121 3.637 -1.803 1.00 0.00 C ATOM 266 CD1 LEU A 29 8.809 4.195 -0.484 1.00 0.00 C ATOM 267 CD2 LEU A 29 7.285 2.339 -1.424 1.00 0.00 C ATOM 0 H LEU A 29 5.154 5.930 -3.050 1.00 0.00 H new ATOM 0 HA LEU A 29 6.085 4.865 -0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.514 4.236 -3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.829 5.391 -3.035 1.00 0.00 H new ATOM 0 HG LEU A 29 8.882 3.376 -2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.442 3.422 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.417 5.065 -0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.041 4.481 0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.947 1.597 -0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.504 2.604 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.830 1.924 -2.323 1.00 0.00 H new ATOM 279 N LEU A 30 7.532 7.706 -1.489 1.00 0.00 N ATOM 280 CA LEU A 30 8.367 8.837 -0.956 1.00 0.00 C ATOM 281 C LEU A 30 7.635 9.412 0.272 1.00 0.00 C ATOM 282 O LEU A 30 8.234 9.893 1.208 1.00 0.00 O ATOM 283 CB LEU A 30 8.503 9.932 -2.040 1.00 0.00 C ATOM 284 CG LEU A 30 9.516 9.541 -3.141 1.00 0.00 C ATOM 285 CD1 LEU A 30 9.015 8.300 -3.983 1.00 0.00 C ATOM 286 CD2 LEU A 30 9.758 10.753 -4.139 1.00 0.00 C ATOM 0 H LEU A 30 7.160 7.854 -2.427 1.00 0.00 H new ATOM 0 HA LEU A 30 9.363 8.489 -0.683 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.529 10.115 -2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.818 10.865 -1.574 1.00 0.00 H new ATOM 0 HG LEU A 30 10.444 9.279 -2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.754 8.056 -4.746 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.879 7.443 -3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.066 8.544 -4.461 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.474 10.456 -4.905 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.815 11.030 -4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.151 11.606 -3.586 1.00 0.00 H new ATOM 298 N ALA A 31 6.338 9.354 0.276 1.00 0.00 N ATOM 299 CA ALA A 31 5.568 9.876 1.445 1.00 0.00 C ATOM 300 C ALA A 31 5.862 8.987 2.650 1.00 0.00 C ATOM 301 O ALA A 31 5.825 9.405 3.780 1.00 0.00 O ATOM 302 CB ALA A 31 4.011 9.832 1.110 1.00 0.00 C ATOM 0 H ALA A 31 5.771 8.968 -0.479 1.00 0.00 H new ATOM 0 HA ALA A 31 5.856 10.904 1.663 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.445 10.212 1.960 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.810 10.450 0.235 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.712 8.804 0.905 1.00 0.00 H new ATOM 308 N GLY A 32 6.162 7.745 2.404 1.00 0.00 N ATOM 309 CA GLY A 32 6.479 6.798 3.515 1.00 0.00 C ATOM 310 C GLY A 32 5.188 6.338 4.184 1.00 0.00 C ATOM 311 O GLY A 32 5.066 6.334 5.389 1.00 0.00 O ATOM 0 H GLY A 32 6.203 7.337 1.470 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.025 5.938 3.128 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.126 7.284 4.246 1.00 0.00 H new ATOM 315 N HIS A 33 4.226 5.952 3.414 1.00 0.00 N ATOM 316 CA HIS A 33 2.936 5.488 4.001 1.00 0.00 C ATOM 317 C HIS A 33 2.935 3.962 4.097 1.00 0.00 C ATOM 318 O HIS A 33 3.653 3.280 3.402 1.00 0.00 O ATOM 319 CB HIS A 33 1.782 5.967 3.119 1.00 0.00 C ATOM 320 CG HIS A 33 1.540 7.441 3.332 1.00 0.00 C ATOM 321 ND1 HIS A 33 2.249 8.202 4.257 1.00 0.00 N ATOM 322 CD2 HIS A 33 0.684 8.311 2.711 1.00 0.00 C ATOM 323 CE1 HIS A 33 1.804 9.473 4.155 1.00 0.00 C ATOM 324 NE2 HIS A 33 0.856 9.596 3.233 1.00 0.00 N ATOM 0 H HIS A 33 4.269 5.934 2.395 1.00 0.00 H new ATOM 0 HA HIS A 33 2.815 5.900 5.003 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.013 5.777 2.071 1.00 0.00 H new ATOM 0 HB3 HIS A 33 0.878 5.405 3.354 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.018 8.044 1.935 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.175 10.293 4.753 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.360 10.446 2.964 1.00 0.00 H new ATOM 333 N ARG A 34 2.142 3.432 4.979 1.00 0.00 N ATOM 334 CA ARG A 34 2.075 1.945 5.170 1.00 0.00 C ATOM 335 C ARG A 34 1.663 1.276 3.865 1.00 0.00 C ATOM 336 O ARG A 34 0.893 1.791 3.089 1.00 0.00 O ATOM 337 CB ARG A 34 1.079 1.612 6.296 1.00 0.00 C ATOM 338 CG ARG A 34 1.554 2.232 7.684 1.00 0.00 C ATOM 339 CD ARG A 34 2.667 1.348 8.369 1.00 0.00 C ATOM 340 NE ARG A 34 2.235 -0.140 8.779 1.00 0.00 N ATOM 341 CZ ARG A 34 3.258 -0.870 9.226 1.00 0.00 C ATOM 342 NH1 ARG A 34 4.071 -1.058 8.340 1.00 0.00 N ATOM 343 NH2 ARG A 34 2.670 -1.894 9.652 1.00 0.00 N ATOM 0 H ARG A 34 1.524 3.967 5.589 1.00 0.00 H new ATOM 0 HA ARG A 34 3.057 1.568 5.454 1.00 0.00 H new ATOM 0 HB2 ARG A 34 0.093 1.999 6.040 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.982 0.531 6.392 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.939 3.239 7.520 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.699 2.323 8.353 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.518 1.283 7.691 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.011 1.864 9.265 1.00 0.00 H new ATOM 0 HE ARG A 34 1.280 -0.491 8.706 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.910 -0.672 7.410 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.913 -1.602 8.528 1.00 0.00 H new ATOM 0 HH21 ARG A 34 1.655 -1.964 9.584 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.208 -2.656 10.066 1.00 0.00 H new ATOM 357 N TYR A 35 2.199 0.128 3.618 1.00 0.00 N ATOM 358 CA TYR A 35 1.895 -0.612 2.359 1.00 0.00 C ATOM 359 C TYR A 35 1.360 -2.010 2.717 1.00 0.00 C ATOM 360 O TYR A 35 2.060 -2.842 3.236 1.00 0.00 O ATOM 361 CB TYR A 35 3.185 -0.755 1.556 1.00 0.00 C ATOM 362 CG TYR A 35 2.918 -0.592 0.062 1.00 0.00 C ATOM 363 CD1 TYR A 35 2.946 0.690 -0.519 1.00 0.00 C ATOM 364 CD2 TYR A 35 2.657 -1.713 -0.750 1.00 0.00 C ATOM 365 CE1 TYR A 35 2.743 0.848 -1.892 1.00 0.00 C ATOM 366 CE2 TYR A 35 2.448 -1.549 -2.124 1.00 0.00 C ATOM 367 CZ TYR A 35 2.480 -0.268 -2.701 1.00 0.00 C ATOM 368 OH TYR A 35 2.282 -0.109 -4.060 1.00 0.00 O ATOM 0 H TYR A 35 2.850 -0.347 4.243 1.00 0.00 H new ATOM 0 HA TYR A 35 1.149 -0.074 1.774 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.907 -0.007 1.884 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.630 -1.732 1.746 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.125 1.556 0.100 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.618 -2.699 -0.312 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.789 1.833 -2.333 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.261 -2.413 -2.745 1.00 0.00 H new ATOM 0 HH TYR A 35 2.351 -0.979 -4.505 1.00 0.00 H new ATOM 378 N LEU A 36 0.118 -2.265 2.450 1.00 0.00 N ATOM 379 CA LEU A 36 -0.468 -3.604 2.766 1.00 0.00 C ATOM 380 C LEU A 36 -1.018 -4.213 1.471 1.00 0.00 C ATOM 381 O LEU A 36 -2.070 -3.853 0.990 1.00 0.00 O ATOM 382 CB LEU A 36 -1.582 -3.381 3.812 1.00 0.00 C ATOM 383 CG LEU A 36 -2.059 -4.697 4.451 1.00 0.00 C ATOM 384 CD1 LEU A 36 -2.701 -4.384 5.871 1.00 0.00 C ATOM 385 CD2 LEU A 36 -3.170 -5.385 3.539 1.00 0.00 C ATOM 0 H LEU A 36 -0.529 -1.602 2.022 1.00 0.00 H new ATOM 0 HA LEU A 36 0.271 -4.294 3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.216 -2.713 4.592 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.428 -2.883 3.338 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.205 -5.367 4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.041 -5.313 6.329 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.955 -3.915 6.512 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.548 -3.709 5.747 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.498 -6.315 4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.021 -4.713 3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.752 -5.599 2.555 1.00 0.00 H new ATOM 397 N ASP A 37 -0.295 -5.108 0.896 1.00 0.00 N ATOM 398 CA ASP A 37 -0.710 -5.713 -0.405 1.00 0.00 C ATOM 399 C ASP A 37 -1.366 -7.055 -0.114 1.00 0.00 C ATOM 400 O ASP A 37 -1.114 -7.676 0.886 1.00 0.00 O ATOM 401 CB ASP A 37 0.531 -5.965 -1.282 1.00 0.00 C ATOM 402 CG ASP A 37 1.217 -4.645 -1.662 1.00 0.00 C ATOM 403 OD1 ASP A 37 0.620 -3.611 -1.439 1.00 0.00 O ATOM 404 OD2 ASP A 37 2.328 -4.687 -2.149 1.00 0.00 O ATOM 0 H ASP A 37 0.586 -5.462 1.269 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.395 -5.041 -0.922 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.234 -6.603 -0.747 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.239 -6.500 -2.186 1.00 0.00 H new ATOM 409 N VAL A 38 -2.171 -7.523 -0.997 1.00 0.00 N ATOM 410 CA VAL A 38 -2.805 -8.851 -0.793 1.00 0.00 C ATOM 411 C VAL A 38 -2.683 -9.635 -2.088 1.00 0.00 C ATOM 412 O VAL A 38 -3.527 -9.590 -2.956 1.00 0.00 O ATOM 413 CB VAL A 38 -4.280 -8.689 -0.396 1.00 0.00 C ATOM 414 CG1 VAL A 38 -4.356 -7.644 0.804 1.00 0.00 C ATOM 415 CG2 VAL A 38 -5.109 -8.087 -1.612 1.00 0.00 C ATOM 0 H VAL A 38 -2.427 -7.048 -1.862 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.304 -9.385 0.015 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.689 -9.659 -0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.395 -7.511 1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.778 -8.018 1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.947 -6.687 0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.153 -7.976 -1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.702 -7.113 -1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.040 -8.759 -2.467 1.00 0.00 H new ATOM 425 N ARG A 39 -1.608 -10.345 -2.222 1.00 0.00 N ATOM 426 CA ARG A 39 -1.368 -11.149 -3.458 1.00 0.00 C ATOM 427 C ARG A 39 -2.144 -12.449 -3.311 1.00 0.00 C ATOM 428 O ARG A 39 -2.804 -12.901 -4.217 1.00 0.00 O ATOM 429 CB ARG A 39 0.124 -11.474 -3.586 1.00 0.00 C ATOM 430 CG ARG A 39 0.945 -10.154 -3.435 1.00 0.00 C ATOM 431 CD ARG A 39 0.539 -9.074 -4.497 1.00 0.00 C ATOM 432 NE ARG A 39 1.457 -7.812 -4.677 1.00 0.00 N ATOM 433 CZ ARG A 39 2.138 -7.526 -3.547 1.00 0.00 C ATOM 434 NH1 ARG A 39 2.950 -8.390 -3.295 1.00 0.00 N ATOM 435 NH2 ARG A 39 2.618 -6.403 -3.854 1.00 0.00 N ATOM 0 H ARG A 39 -0.870 -10.408 -1.521 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.686 -10.594 -4.341 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.420 -12.192 -2.821 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.327 -11.936 -4.552 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.797 -9.749 -2.434 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.007 -10.376 -3.535 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.468 -9.572 -5.464 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.461 -8.722 -4.245 1.00 0.00 H new ATOM 0 HE ARG A 39 1.530 -7.275 -5.541 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.043 -9.198 -3.911 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.540 -8.309 -2.467 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.420 -5.997 -4.768 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.205 -5.900 -3.188 1.00 0.00 H new ATOM 449 N THR A 40 -2.059 -13.065 -2.168 1.00 0.00 N ATOM 450 CA THR A 40 -2.788 -14.349 -1.974 1.00 0.00 C ATOM 451 C THR A 40 -2.376 -14.989 -0.643 1.00 0.00 C ATOM 452 O THR A 40 -1.406 -14.604 -0.037 1.00 0.00 O ATOM 453 CB THR A 40 -2.401 -15.248 -3.143 1.00 0.00 C ATOM 454 OG1 THR A 40 -1.270 -14.677 -3.773 1.00 0.00 O ATOM 455 CG2 THR A 40 -3.608 -15.319 -4.171 1.00 0.00 C ATOM 0 H THR A 40 -1.521 -12.740 -1.365 1.00 0.00 H new ATOM 0 HA THR A 40 -3.867 -14.195 -1.943 1.00 0.00 H new ATOM 0 HB THR A 40 -2.172 -16.256 -2.796 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.548 -14.224 -4.596 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.335 -15.961 -5.009 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.487 -15.727 -3.672 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.832 -14.318 -4.539 1.00 0.00 H new ATOM 463 N PRO A 41 -3.143 -15.932 -0.172 1.00 0.00 N ATOM 464 CA PRO A 41 -2.844 -16.623 1.104 1.00 0.00 C ATOM 465 C PRO A 41 -1.572 -17.439 0.998 1.00 0.00 C ATOM 466 O PRO A 41 -1.002 -17.882 1.965 1.00 0.00 O ATOM 467 CB PRO A 41 -4.073 -17.512 1.332 1.00 0.00 C ATOM 468 CG PRO A 41 -4.785 -17.624 0.022 1.00 0.00 C ATOM 469 CD PRO A 41 -4.386 -16.420 -0.842 1.00 0.00 C ATOM 0 HA PRO A 41 -2.671 -15.934 1.931 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.775 -18.496 1.693 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.726 -17.079 2.089 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.519 -18.556 -0.477 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.864 -17.641 0.176 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.202 -16.708 -1.877 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.164 -15.657 -0.857 1.00 0.00 H new ATOM 477 N GLU A 42 -1.103 -17.626 -0.198 1.00 0.00 N ATOM 478 CA GLU A 42 0.149 -18.406 -0.400 1.00 0.00 C ATOM 479 C GLU A 42 1.331 -17.555 0.067 1.00 0.00 C ATOM 480 O GLU A 42 2.274 -18.044 0.643 1.00 0.00 O ATOM 481 CB GLU A 42 0.316 -18.729 -1.889 1.00 0.00 C ATOM 482 CG GLU A 42 1.489 -19.693 -2.073 1.00 0.00 C ATOM 483 CD GLU A 42 1.137 -21.064 -1.485 1.00 0.00 C ATOM 484 OE1 GLU A 42 -0.037 -21.367 -1.406 1.00 0.00 O ATOM 485 OE2 GLU A 42 2.044 -21.781 -1.115 1.00 0.00 O ATOM 0 H GLU A 42 -1.533 -17.271 -1.052 1.00 0.00 H new ATOM 0 HA GLU A 42 0.105 -19.336 0.167 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.599 -19.174 -2.280 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.492 -17.813 -2.453 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.726 -19.792 -3.132 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.378 -19.295 -1.583 1.00 0.00 H new ATOM 492 N GLU A 43 1.289 -16.277 -0.174 1.00 0.00 N ATOM 493 CA GLU A 43 2.423 -15.392 0.250 1.00 0.00 C ATOM 494 C GLU A 43 2.609 -15.510 1.763 1.00 0.00 C ATOM 495 O GLU A 43 3.686 -15.356 2.289 1.00 0.00 O ATOM 496 CB GLU A 43 2.098 -13.935 -0.117 1.00 0.00 C ATOM 497 CG GLU A 43 1.128 -13.342 0.912 1.00 0.00 C ATOM 498 CD GLU A 43 1.906 -12.819 2.122 1.00 0.00 C ATOM 499 OE1 GLU A 43 3.113 -12.708 2.022 1.00 0.00 O ATOM 500 OE2 GLU A 43 1.287 -12.546 3.130 1.00 0.00 O ATOM 0 H GLU A 43 0.521 -15.800 -0.646 1.00 0.00 H new ATOM 0 HA GLU A 43 3.339 -15.696 -0.257 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.014 -13.345 -0.148 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.657 -13.891 -1.113 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.555 -12.533 0.460 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.412 -14.101 1.229 1.00 0.00 H new ATOM 507 N PHE A 44 1.555 -15.796 2.457 1.00 0.00 N ATOM 508 CA PHE A 44 1.609 -15.945 3.948 1.00 0.00 C ATOM 509 C PHE A 44 2.288 -17.272 4.291 1.00 0.00 C ATOM 510 O PHE A 44 3.094 -17.370 5.189 1.00 0.00 O ATOM 511 CB PHE A 44 0.169 -15.985 4.456 1.00 0.00 C ATOM 512 CG PHE A 44 0.098 -16.039 5.965 1.00 0.00 C ATOM 513 CD1 PHE A 44 0.186 -14.867 6.733 1.00 0.00 C ATOM 514 CD2 PHE A 44 -0.047 -17.287 6.602 1.00 0.00 C ATOM 515 CE1 PHE A 44 0.147 -14.945 8.129 1.00 0.00 C ATOM 516 CE2 PHE A 44 -0.082 -17.363 7.996 1.00 0.00 C ATOM 517 CZ PHE A 44 0.002 -16.191 8.764 1.00 0.00 C ATOM 0 H PHE A 44 0.629 -15.939 2.053 1.00 0.00 H new ATOM 0 HA PHE A 44 2.163 -15.123 4.401 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.365 -15.104 4.100 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.338 -16.855 4.039 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.284 -13.907 6.247 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.131 -18.187 6.011 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.229 -14.045 8.721 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.174 -18.323 8.483 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.045 -16.246 9.842 1.00 0.00 H new ATOM 527 N SER A 45 1.948 -18.302 3.574 1.00 0.00 N ATOM 528 CA SER A 45 2.558 -19.643 3.834 1.00 0.00 C ATOM 529 C SER A 45 4.073 -19.521 3.775 1.00 0.00 C ATOM 530 O SER A 45 4.788 -20.128 4.536 1.00 0.00 O ATOM 531 CB SER A 45 2.089 -20.637 2.766 1.00 0.00 C ATOM 532 OG SER A 45 2.481 -21.951 3.136 1.00 0.00 O ATOM 0 H SER A 45 1.270 -18.278 2.813 1.00 0.00 H new ATOM 0 HA SER A 45 2.253 -19.998 4.818 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.006 -20.586 2.658 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.518 -20.377 1.799 1.00 0.00 H new ATOM 0 HG SER A 45 2.180 -22.587 2.454 1.00 0.00 H new ATOM 538 N GLN A 46 4.568 -18.727 2.880 1.00 0.00 N ATOM 539 CA GLN A 46 6.046 -18.549 2.774 1.00 0.00 C ATOM 540 C GLN A 46 6.492 -17.519 3.813 1.00 0.00 C ATOM 541 O GLN A 46 7.524 -17.639 4.432 1.00 0.00 O ATOM 542 CB GLN A 46 6.406 -18.086 1.350 1.00 0.00 C ATOM 543 CG GLN A 46 5.565 -18.838 0.318 1.00 0.00 C ATOM 544 CD GLN A 46 5.824 -20.342 0.407 1.00 0.00 C ATOM 545 OE1 GLN A 46 6.951 -20.789 0.412 1.00 0.00 O ATOM 546 NE2 GLN A 46 4.811 -21.148 0.487 1.00 0.00 N ATOM 0 H GLN A 46 4.017 -18.188 2.212 1.00 0.00 H new ATOM 0 HA GLN A 46 6.559 -19.492 2.966 1.00 0.00 H new ATOM 0 HB2 GLN A 46 6.236 -17.013 1.255 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.466 -18.259 1.161 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.507 -18.635 0.485 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.804 -18.481 -0.684 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.861 -20.776 0.483 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.964 -22.154 0.554 1.00 0.00 H new ATOM 555 N GLY A 47 5.688 -16.515 4.021 1.00 0.00 N ATOM 556 CA GLY A 47 6.019 -15.452 5.025 1.00 0.00 C ATOM 557 C GLY A 47 5.687 -14.071 4.485 1.00 0.00 C ATOM 558 O GLY A 47 4.692 -13.854 3.836 1.00 0.00 O ATOM 0 H GLY A 47 4.802 -16.379 3.534 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.463 -15.630 5.945 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.078 -15.503 5.278 1.00 0.00 H new ATOM 562 N HIS A 48 6.537 -13.137 4.749 1.00 0.00 N ATOM 563 CA HIS A 48 6.313 -11.753 4.249 1.00 0.00 C ATOM 564 C HIS A 48 7.191 -11.508 3.025 1.00 0.00 C ATOM 565 O HIS A 48 7.656 -12.408 2.364 1.00 0.00 O ATOM 566 CB HIS A 48 6.588 -10.743 5.376 1.00 0.00 C ATOM 567 CG HIS A 48 5.553 -10.829 6.468 1.00 0.00 C ATOM 568 ND1 HIS A 48 4.290 -10.264 6.325 1.00 0.00 N ATOM 569 CD2 HIS A 48 5.579 -11.368 7.729 1.00 0.00 C ATOM 570 CE1 HIS A 48 3.619 -10.477 7.472 1.00 0.00 C ATOM 571 NE2 HIS A 48 4.350 -11.142 8.360 1.00 0.00 N ATOM 0 H HIS A 48 7.389 -13.266 5.295 1.00 0.00 H new ATOM 0 HA HIS A 48 5.275 -11.624 3.943 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.577 -10.928 5.797 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.600 -9.734 4.965 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.418 -11.887 8.168 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.606 -10.147 7.650 1.00 0.00 H new ATOM 0 HE2 HIS A 48 4.075 -11.427 9.300 1.00 0.00 H new ATOM 580 N ALA A 49 7.381 -10.267 2.710 1.00 0.00 N ATOM 581 CA ALA A 49 8.194 -9.909 1.517 1.00 0.00 C ATOM 582 C ALA A 49 8.939 -8.604 1.785 1.00 0.00 C ATOM 583 O ALA A 49 8.585 -7.821 2.641 1.00 0.00 O ATOM 584 CB ALA A 49 7.237 -9.712 0.252 1.00 0.00 C ATOM 0 H ALA A 49 7.006 -9.474 3.230 1.00 0.00 H new ATOM 0 HA ALA A 49 8.907 -10.709 1.315 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.836 -9.450 -0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.697 -10.639 0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.524 -8.913 0.456 1.00 0.00 H new ATOM 590 N CYS A 50 9.961 -8.377 1.042 1.00 0.00 N ATOM 591 CA CYS A 50 10.780 -7.144 1.193 1.00 0.00 C ATOM 592 C CYS A 50 10.085 -6.026 0.431 1.00 0.00 C ATOM 593 O CYS A 50 9.235 -6.237 -0.401 1.00 0.00 O ATOM 594 CB CYS A 50 12.194 -7.375 0.673 1.00 0.00 C ATOM 595 SG CYS A 50 13.263 -6.179 1.472 1.00 0.00 S ATOM 0 H CYS A 50 10.283 -9.009 0.309 1.00 0.00 H new ATOM 0 HA CYS A 50 10.869 -6.871 2.244 1.00 0.00 H new ATOM 0 HB2 CYS A 50 12.523 -8.391 0.894 1.00 0.00 H new ATOM 0 HB3 CYS A 50 12.228 -7.257 -0.410 1.00 0.00 H new ATOM 0 HG CYS A 50 14.484 -6.343 1.057 1.00 0.00 H new ATOM 601 N GLY A 51 10.456 -4.823 0.736 1.00 0.00 N ATOM 602 CA GLY A 51 9.866 -3.636 0.051 1.00 0.00 C ATOM 603 C GLY A 51 8.608 -3.220 0.792 1.00 0.00 C ATOM 604 O GLY A 51 8.423 -2.079 1.147 1.00 0.00 O ATOM 0 H GLY A 51 11.156 -4.601 1.444 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.583 -2.815 0.034 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.631 -3.876 -0.986 1.00 0.00 H new ATOM 608 N ALA A 52 7.729 -4.135 1.025 1.00 0.00 N ATOM 609 CA ALA A 52 6.464 -3.778 1.722 1.00 0.00 C ATOM 610 C ALA A 52 5.872 -5.018 2.373 1.00 0.00 C ATOM 611 O ALA A 52 6.348 -6.112 2.237 1.00 0.00 O ATOM 612 CB ALA A 52 5.430 -3.215 0.653 1.00 0.00 C ATOM 0 H ALA A 52 7.824 -5.117 0.766 1.00 0.00 H new ATOM 0 HA ALA A 52 6.667 -3.027 2.485 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.498 -2.950 1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.849 -2.331 0.173 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.233 -3.978 -0.100 1.00 0.00 H new ATOM 618 N ILE A 53 4.817 -4.842 3.094 1.00 0.00 N ATOM 619 CA ILE A 53 4.179 -6.003 3.750 1.00 0.00 C ATOM 620 C ILE A 53 2.950 -6.443 2.965 1.00 0.00 C ATOM 621 O ILE A 53 2.188 -5.654 2.463 1.00 0.00 O ATOM 622 CB ILE A 53 3.806 -5.584 5.161 1.00 0.00 C ATOM 623 CG1 ILE A 53 5.089 -5.417 5.975 1.00 0.00 C ATOM 624 CG2 ILE A 53 2.887 -6.684 5.833 1.00 0.00 C ATOM 625 CD1 ILE A 53 4.690 -4.835 7.407 1.00 0.00 C ATOM 0 H ILE A 53 4.365 -3.943 3.260 1.00 0.00 H new ATOM 0 HA ILE A 53 4.862 -6.852 3.783 1.00 0.00 H new ATOM 0 HB ILE A 53 3.255 -4.644 5.131 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.601 -6.374 6.081 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.778 -4.742 5.467 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.626 -6.372 6.844 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.977 -6.807 5.245 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.424 -7.632 5.873 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.589 -4.706 8.010 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.194 -3.872 7.283 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.014 -5.529 7.907 1.00 0.00 H new ATOM 637 N ASN A 54 2.778 -7.720 2.840 1.00 0.00 N ATOM 638 CA ASN A 54 1.618 -8.257 2.070 1.00 0.00 C ATOM 639 C ASN A 54 0.927 -9.324 2.882 1.00 0.00 C ATOM 640 O ASN A 54 1.537 -10.221 3.409 1.00 0.00 O ATOM 641 CB ASN A 54 2.098 -8.864 0.747 1.00 0.00 C ATOM 642 CG ASN A 54 2.961 -10.100 0.992 1.00 0.00 C ATOM 643 OD1 ASN A 54 3.469 -10.313 2.073 1.00 0.00 O ATOM 644 ND2 ASN A 54 3.154 -10.928 0.015 1.00 0.00 N ATOM 0 H ASN A 54 3.394 -8.428 3.240 1.00 0.00 H new ATOM 0 HA ASN A 54 0.925 -7.442 1.861 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.238 -9.132 0.133 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.669 -8.122 0.189 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.732 -11.757 0.155 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.728 -10.751 -0.895 1.00 0.00 H new ATOM 651 N VAL A 55 -0.338 -9.232 2.996 1.00 0.00 N ATOM 652 CA VAL A 55 -1.073 -10.242 3.771 1.00 0.00 C ATOM 653 C VAL A 55 -2.413 -10.519 3.090 1.00 0.00 C ATOM 654 O VAL A 55 -2.838 -9.822 2.189 1.00 0.00 O ATOM 655 CB VAL A 55 -1.247 -9.710 5.193 1.00 0.00 C ATOM 656 CG1 VAL A 55 -0.566 -10.698 6.237 1.00 0.00 C ATOM 657 CG2 VAL A 55 -0.546 -8.291 5.307 1.00 0.00 C ATOM 0 H VAL A 55 -0.910 -8.495 2.584 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.531 -11.186 3.818 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.312 -9.629 5.412 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.697 -10.308 7.246 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.032 -11.681 6.165 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.498 -10.784 6.016 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.667 -7.906 6.320 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.516 -8.390 5.081 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.005 -7.601 4.599 1.00 0.00 H new ATOM 667 N PRO A 56 -3.042 -11.592 3.485 1.00 0.00 N ATOM 668 CA PRO A 56 -4.323 -12.023 2.892 1.00 0.00 C ATOM 669 C PRO A 56 -5.482 -11.195 3.400 1.00 0.00 C ATOM 670 O PRO A 56 -6.622 -11.612 3.446 1.00 0.00 O ATOM 671 CB PRO A 56 -4.439 -13.511 3.279 1.00 0.00 C ATOM 672 CG PRO A 56 -3.574 -13.715 4.477 1.00 0.00 C ATOM 673 CD PRO A 56 -2.598 -12.530 4.570 1.00 0.00 C ATOM 0 HA PRO A 56 -4.352 -11.886 1.811 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.474 -13.773 3.500 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.117 -14.150 2.457 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.182 -13.779 5.379 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.026 -14.654 4.395 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.644 -12.054 5.550 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.567 -12.852 4.420 1.00 0.00 H new ATOM 681 N TYR A 57 -5.180 -9.993 3.789 1.00 0.00 N ATOM 682 CA TYR A 57 -6.237 -9.075 4.295 1.00 0.00 C ATOM 683 C TYR A 57 -7.099 -9.793 5.313 1.00 0.00 C ATOM 684 O TYR A 57 -6.829 -9.808 6.492 1.00 0.00 O ATOM 685 CB TYR A 57 -7.085 -8.667 3.099 1.00 0.00 C ATOM 686 CG TYR A 57 -8.209 -7.730 3.494 1.00 0.00 C ATOM 687 CD1 TYR A 57 -7.921 -6.373 3.715 1.00 0.00 C ATOM 688 CD2 TYR A 57 -9.522 -8.199 3.663 1.00 0.00 C ATOM 689 CE1 TYR A 57 -8.931 -5.491 4.089 1.00 0.00 C ATOM 690 CE2 TYR A 57 -10.534 -7.313 4.041 1.00 0.00 C ATOM 691 CZ TYR A 57 -10.244 -5.955 4.260 1.00 0.00 C ATOM 692 OH TYR A 57 -11.243 -5.079 4.634 1.00 0.00 O ATOM 0 H TYR A 57 -4.238 -9.601 3.779 1.00 0.00 H new ATOM 0 HA TYR A 57 -5.795 -8.202 4.776 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -6.453 -8.182 2.355 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.503 -9.558 2.630 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.910 -6.012 3.594 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -9.749 -9.242 3.501 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -8.703 -4.447 4.248 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -11.544 -7.673 4.166 1.00 0.00 H new ATOM 0 HH TYR A 57 -12.092 -5.563 4.707 1.00 0.00 H new ATOM 1009 N PHE A 79 -11.130 0.281 14.550 1.00 0.00 N ATOM 1010 CA PHE A 79 -10.287 0.630 13.360 1.00 0.00 C ATOM 1011 C PHE A 79 -10.387 -0.477 12.303 1.00 0.00 C ATOM 1012 O PHE A 79 -10.912 -1.546 12.534 1.00 0.00 O ATOM 1013 CB PHE A 79 -8.840 0.742 13.816 1.00 0.00 C ATOM 1014 CG PHE A 79 -8.659 1.858 14.821 1.00 0.00 C ATOM 1015 CD1 PHE A 79 -8.440 3.181 14.399 1.00 0.00 C ATOM 1016 CD2 PHE A 79 -8.722 1.559 16.194 1.00 0.00 C ATOM 1017 CE1 PHE A 79 -8.309 4.201 15.348 1.00 0.00 C ATOM 1018 CE2 PHE A 79 -8.594 2.578 17.139 1.00 0.00 C ATOM 1019 CZ PHE A 79 -8.372 3.900 16.720 1.00 0.00 C ATOM 0 HA PHE A 79 -10.632 1.570 12.929 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -8.523 -0.202 14.259 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.199 0.921 12.953 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.373 3.409 13.346 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.870 0.539 16.517 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.159 5.221 15.026 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.666 2.350 18.192 1.00 0.00 H new ATOM 0 HZ PHE A 79 -8.250 4.685 17.451 1.00 0.00 H new ATOM 1029 N GLY A 80 -9.875 -0.213 11.143 1.00 0.00 N ATOM 1030 CA GLY A 80 -9.912 -1.223 10.039 1.00 0.00 C ATOM 1031 C GLY A 80 -8.512 -1.769 9.767 1.00 0.00 C ATOM 1032 O GLY A 80 -7.538 -1.055 9.747 1.00 0.00 O ATOM 0 H GLY A 80 -9.424 0.669 10.900 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.582 -2.040 10.308 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.313 -0.767 9.134 1.00 0.00 H new ATOM 1036 N GLN A 81 -8.419 -3.043 9.560 1.00 0.00 N ATOM 1037 CA GLN A 81 -7.095 -3.672 9.268 1.00 0.00 C ATOM 1038 C GLN A 81 -6.355 -2.829 8.234 1.00 0.00 C ATOM 1039 O GLN A 81 -5.163 -2.919 8.086 1.00 0.00 O ATOM 1040 CB GLN A 81 -7.320 -5.091 8.718 1.00 0.00 C ATOM 1041 CG GLN A 81 -7.669 -5.017 7.230 1.00 0.00 C ATOM 1042 CD GLN A 81 -8.349 -6.301 6.760 1.00 0.00 C ATOM 1043 OE1 GLN A 81 -7.623 -7.233 6.225 1.00 0.00 O flip ATOM 1044 NE2 GLN A 81 -9.544 -6.463 6.879 1.00 0.00 N flip ATOM 0 H GLN A 81 -9.207 -3.690 9.579 1.00 0.00 H new ATOM 0 HA GLN A 81 -6.501 -3.727 10.180 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -6.423 -5.694 8.862 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.125 -5.581 9.266 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -8.327 -4.167 7.049 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -6.763 -4.848 6.649 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.118 -5.732 7.299 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -9.975 -7.330 6.559 1.00 0.00 H new ATOM 1053 N SER A 82 -7.049 -1.995 7.531 1.00 0.00 N ATOM 1054 CA SER A 82 -6.375 -1.121 6.522 1.00 0.00 C ATOM 1055 C SER A 82 -6.699 0.335 6.866 1.00 0.00 C ATOM 1056 O SER A 82 -6.552 1.229 6.066 1.00 0.00 O ATOM 1057 CB SER A 82 -6.893 -1.462 5.119 1.00 0.00 C ATOM 1058 OG SER A 82 -6.113 -0.784 4.145 1.00 0.00 O ATOM 0 H SER A 82 -8.059 -1.873 7.604 1.00 0.00 H new ATOM 0 HA SER A 82 -5.296 -1.277 6.538 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.844 -2.538 4.954 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.940 -1.173 5.027 1.00 0.00 H new ATOM 0 HG SER A 82 -5.180 -1.074 4.213 1.00 0.00 H new ATOM 1064 N ASP A 83 -7.140 0.567 8.072 1.00 0.00 N ATOM 1065 CA ASP A 83 -7.497 1.964 8.513 1.00 0.00 C ATOM 1066 C ASP A 83 -6.465 2.936 7.967 1.00 0.00 C ATOM 1067 O ASP A 83 -5.342 2.984 8.408 1.00 0.00 O ATOM 1068 CB ASP A 83 -7.500 2.022 10.044 1.00 0.00 C ATOM 1069 CG ASP A 83 -8.225 3.280 10.544 1.00 0.00 C ATOM 1070 OD1 ASP A 83 -9.440 3.260 10.600 1.00 0.00 O ATOM 1071 OD2 ASP A 83 -7.554 4.233 10.886 1.00 0.00 O ATOM 0 H ASP A 83 -7.273 -0.152 8.783 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.484 2.233 8.138 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.988 1.133 10.444 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.475 2.017 10.414 1.00 0.00 H new ATOM 1076 N ASN A 84 -6.841 3.704 6.999 1.00 0.00 N ATOM 1077 CA ASN A 84 -5.888 4.685 6.390 1.00 0.00 C ATOM 1078 C ASN A 84 -4.632 3.964 5.955 1.00 0.00 C ATOM 1079 O ASN A 84 -3.578 4.119 6.521 1.00 0.00 O ATOM 1080 CB ASN A 84 -5.524 5.762 7.408 1.00 0.00 C ATOM 1081 CG ASN A 84 -6.777 6.500 7.855 1.00 0.00 C ATOM 1082 OD1 ASN A 84 -7.763 6.552 7.150 1.00 0.00 O ATOM 1083 ND2 ASN A 84 -6.776 7.086 9.005 1.00 0.00 N ATOM 0 H ASN A 84 -7.776 3.703 6.591 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.363 5.153 5.527 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.032 5.309 8.269 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -4.815 6.464 6.969 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -7.604 7.592 9.320 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -5.948 7.043 9.599 1.00 0.00 H new ATOM 1090 N ILE A 85 -4.733 3.171 4.948 1.00 0.00 N ATOM 1091 CA ILE A 85 -3.542 2.419 4.487 1.00 0.00 C ATOM 1092 C ILE A 85 -3.559 2.327 2.971 1.00 0.00 C ATOM 1093 O ILE A 85 -4.519 2.674 2.325 1.00 0.00 O ATOM 1094 CB ILE A 85 -3.558 1.040 5.131 1.00 0.00 C ATOM 1095 CG1 ILE A 85 -3.107 1.178 6.578 1.00 0.00 C ATOM 1096 CG2 ILE A 85 -2.576 0.039 4.378 1.00 0.00 C ATOM 1097 CD1 ILE A 85 -3.075 -0.277 7.221 1.00 0.00 C ATOM 0 H ILE A 85 -5.588 3.005 4.417 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.625 2.929 4.780 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.569 0.637 5.071 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.121 1.639 6.628 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.789 1.824 7.130 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.610 -0.937 4.862 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.886 -0.061 3.338 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.559 0.428 4.418 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.754 -0.208 8.261 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.072 -0.716 7.177 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.377 -0.904 6.667 1.00 0.00 H new ATOM 1109 N ILE A 86 -2.491 1.901 2.398 1.00 0.00 N ATOM 1110 CA ILE A 86 -2.446 1.766 0.921 1.00 0.00 C ATOM 1111 C ILE A 86 -2.408 0.298 0.549 1.00 0.00 C ATOM 1112 O ILE A 86 -1.447 -0.397 0.772 1.00 0.00 O ATOM 1113 CB ILE A 86 -1.188 2.461 0.407 1.00 0.00 C ATOM 1114 CG1 ILE A 86 -1.162 3.914 0.930 1.00 0.00 C ATOM 1115 CG2 ILE A 86 -1.240 2.492 -1.195 1.00 0.00 C ATOM 1116 CD1 ILE A 86 0.171 4.631 0.400 1.00 0.00 C ATOM 0 H ILE A 86 -1.635 1.636 2.885 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.330 2.222 0.475 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.301 1.928 0.749 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.044 4.455 0.586 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.188 3.923 2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.347 2.986 -1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.283 1.472 -1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.125 3.039 -1.520 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.201 5.658 0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.044 4.091 0.766 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.175 4.631 -0.690 1.00 0.00 H new ATOM 1128 N VAL A 87 -3.468 -0.185 0.001 1.00 0.00 N ATOM 1129 CA VAL A 87 -3.543 -1.627 -0.344 1.00 0.00 C ATOM 1130 C VAL A 87 -3.573 -1.771 -1.864 1.00 0.00 C ATOM 1131 O VAL A 87 -3.733 -0.820 -2.594 1.00 0.00 O ATOM 1132 CB VAL A 87 -4.788 -2.232 0.322 1.00 0.00 C ATOM 1133 CG1 VAL A 87 -4.798 -3.817 0.188 1.00 0.00 C ATOM 1134 CG2 VAL A 87 -4.829 -1.877 1.860 1.00 0.00 C ATOM 0 H VAL A 87 -4.300 0.358 -0.229 1.00 0.00 H new ATOM 0 HA VAL A 87 -2.671 -2.167 0.024 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.655 -1.811 -0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -5.691 -4.217 0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.799 -4.093 -0.866 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.911 -4.228 0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.719 -2.316 2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -3.940 -2.276 2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.856 -0.794 1.983 1.00 0.00 H new ATOM 1144 N GLY A 88 -3.372 -2.959 -2.337 1.00 0.00 N ATOM 1145 CA GLY A 88 -3.373 -3.212 -3.811 1.00 0.00 C ATOM 1146 C GLY A 88 -3.874 -4.616 -4.103 1.00 0.00 C ATOM 1147 O GLY A 88 -3.581 -5.552 -3.396 1.00 0.00 O ATOM 0 H GLY A 88 -3.203 -3.785 -1.763 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -4.007 -2.480 -4.312 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.366 -3.087 -4.209 1.00 0.00 H new ATOM 1151 N CYS A 89 -4.628 -4.759 -5.148 1.00 0.00 N ATOM 1152 CA CYS A 89 -5.173 -6.102 -5.496 1.00 0.00 C ATOM 1153 C CYS A 89 -4.199 -6.813 -6.425 1.00 0.00 C ATOM 1154 O CYS A 89 -3.570 -6.222 -7.271 1.00 0.00 O ATOM 1155 CB CYS A 89 -6.584 -5.974 -6.119 1.00 0.00 C ATOM 1156 SG CYS A 89 -7.714 -7.246 -5.489 1.00 0.00 S ATOM 0 H CYS A 89 -4.894 -4.005 -5.781 1.00 0.00 H new ATOM 0 HA CYS A 89 -5.282 -6.701 -4.592 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -6.990 -4.986 -5.901 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.512 -6.056 -7.203 1.00 0.00 H new ATOM 0 HG CYS A 89 -7.033 -8.296 -5.137 1.00 0.00 H new ATOM 1162 N GLN A 90 -4.033 -8.083 -6.220 1.00 0.00 N ATOM 1163 CA GLN A 90 -3.079 -8.876 -7.053 1.00 0.00 C ATOM 1164 C GLN A 90 -3.039 -8.338 -8.473 1.00 0.00 C ATOM 1165 O GLN A 90 -2.252 -7.488 -8.813 1.00 0.00 O ATOM 1166 CB GLN A 90 -3.490 -10.354 -7.045 1.00 0.00 C ATOM 1167 CG GLN A 90 -5.010 -10.479 -6.925 1.00 0.00 C ATOM 1168 CD GLN A 90 -5.457 -10.356 -5.471 1.00 0.00 C ATOM 1169 OE1 GLN A 90 -5.722 -9.281 -4.982 1.00 0.00 O ATOM 1170 NE2 GLN A 90 -5.549 -11.433 -4.754 1.00 0.00 N ATOM 0 H GLN A 90 -4.521 -8.619 -5.502 1.00 0.00 H new ATOM 0 HA GLN A 90 -2.078 -8.787 -6.630 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.149 -10.839 -7.960 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -3.009 -10.868 -6.213 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -5.490 -9.705 -7.523 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.332 -11.439 -7.328 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.326 -12.340 -5.165 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.844 -11.373 -3.780 1.00 0.00 H new ATOM 1179 N SER A 91 -3.884 -8.854 -9.305 1.00 0.00 N ATOM 1180 CA SER A 91 -3.921 -8.409 -10.730 1.00 0.00 C ATOM 1181 C SER A 91 -5.340 -8.539 -11.267 1.00 0.00 C ATOM 1182 O SER A 91 -6.165 -9.248 -10.741 1.00 0.00 O ATOM 1183 CB SER A 91 -2.960 -9.277 -11.554 1.00 0.00 C ATOM 1184 OG SER A 91 -3.489 -10.589 -11.672 1.00 0.00 O ATOM 0 H SER A 91 -4.563 -9.575 -9.064 1.00 0.00 H new ATOM 0 HA SER A 91 -3.612 -7.366 -10.801 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.817 -8.841 -12.543 1.00 0.00 H new ATOM 0 HB3 SER A 91 -1.981 -9.310 -11.075 1.00 0.00 H new ATOM 0 HG SER A 91 -2.876 -11.143 -12.200 1.00 0.00 H new ATOM 1190 N GLY A 92 -5.624 -7.847 -12.323 1.00 0.00 N ATOM 1191 CA GLY A 92 -6.987 -7.908 -12.923 1.00 0.00 C ATOM 1192 C GLY A 92 -7.799 -6.689 -12.490 1.00 0.00 C ATOM 1193 O GLY A 92 -8.040 -6.462 -11.327 1.00 0.00 O ATOM 0 H GLY A 92 -4.968 -7.233 -12.806 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -6.914 -7.940 -14.010 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.491 -8.822 -12.610 1.00 0.00 H new ATOM 1197 N GLY A 93 -8.216 -5.910 -13.432 1.00 0.00 N ATOM 1198 CA GLY A 93 -9.021 -4.694 -13.121 1.00 0.00 C ATOM 1199 C GLY A 93 -10.269 -5.106 -12.349 1.00 0.00 C ATOM 1200 O GLY A 93 -10.714 -4.433 -11.451 1.00 0.00 O ATOM 0 H GLY A 93 -8.034 -6.060 -14.424 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.430 -3.992 -12.533 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.300 -4.182 -14.042 1.00 0.00 H new ATOM 1204 N ARG A 94 -10.839 -6.219 -12.706 1.00 0.00 N ATOM 1205 CA ARG A 94 -12.070 -6.699 -11.998 1.00 0.00 C ATOM 1206 C ARG A 94 -11.726 -6.965 -10.545 1.00 0.00 C ATOM 1207 O ARG A 94 -12.554 -6.879 -9.669 1.00 0.00 O ATOM 1208 CB ARG A 94 -12.586 -7.985 -12.632 1.00 0.00 C ATOM 1209 CG ARG A 94 -12.964 -7.632 -14.074 1.00 0.00 C ATOM 1210 CD ARG A 94 -13.582 -8.828 -14.757 1.00 0.00 C ATOM 1211 NE ARG A 94 -14.947 -9.141 -14.114 1.00 0.00 N ATOM 1212 CZ ARG A 94 -15.771 -9.743 -14.954 1.00 0.00 C ATOM 1213 NH1 ARG A 94 -16.039 -8.954 -15.834 1.00 0.00 N ATOM 1214 NH2 ARG A 94 -16.702 -10.035 -14.171 1.00 0.00 N ATOM 0 H ARG A 94 -10.510 -6.824 -13.459 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.844 -5.936 -12.074 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -11.823 -8.763 -12.609 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -13.448 -8.368 -12.087 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.665 -6.798 -14.080 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -12.079 -7.308 -14.621 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -13.707 -8.628 -15.821 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -12.921 -9.691 -14.671 1.00 0.00 H new ATOM 0 HE ARG A 94 -15.187 -8.910 -13.150 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -15.636 -8.017 -15.819 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -16.668 -9.227 -16.590 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -16.638 -9.782 -13.185 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -17.526 -10.526 -14.519 1.00 0.00 H new ATOM 1228 N SER A 95 -10.502 -7.298 -10.281 1.00 0.00 N ATOM 1229 CA SER A 95 -10.094 -7.591 -8.877 1.00 0.00 C ATOM 1230 C SER A 95 -10.282 -6.346 -8.029 1.00 0.00 C ATOM 1231 O SER A 95 -10.716 -6.402 -6.902 1.00 0.00 O ATOM 1232 CB SER A 95 -8.617 -8.005 -8.834 1.00 0.00 C ATOM 1233 OG SER A 95 -8.383 -9.036 -9.786 1.00 0.00 O ATOM 0 H SER A 95 -9.759 -7.382 -10.975 1.00 0.00 H new ATOM 0 HA SER A 95 -10.709 -8.404 -8.491 1.00 0.00 H new ATOM 0 HB2 SER A 95 -7.982 -7.146 -9.049 1.00 0.00 H new ATOM 0 HB3 SER A 95 -8.355 -8.353 -7.835 1.00 0.00 H new ATOM 0 HG SER A 95 -7.568 -8.836 -10.291 1.00 0.00 H new ATOM 1239 N ILE A 96 -9.969 -5.218 -8.564 1.00 0.00 N ATOM 1240 CA ILE A 96 -10.119 -3.955 -7.791 1.00 0.00 C ATOM 1241 C ILE A 96 -11.596 -3.741 -7.475 1.00 0.00 C ATOM 1242 O ILE A 96 -11.958 -3.200 -6.456 1.00 0.00 O ATOM 1243 CB ILE A 96 -9.564 -2.804 -8.641 1.00 0.00 C ATOM 1244 CG1 ILE A 96 -9.297 -1.591 -7.759 1.00 0.00 C ATOM 1245 CG2 ILE A 96 -10.595 -2.399 -9.773 1.00 0.00 C ATOM 1246 CD1 ILE A 96 -8.409 -0.576 -8.607 1.00 0.00 C ATOM 0 H ILE A 96 -9.611 -5.105 -9.512 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.570 -4.000 -6.851 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.636 -3.139 -9.104 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -10.233 -1.122 -7.456 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -8.779 -1.886 -6.847 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -10.183 -1.581 -10.365 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -10.781 -3.257 -10.419 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -11.531 -2.080 -9.315 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.196 0.309 -8.008 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.473 -1.059 -8.888 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.950 -0.283 -9.507 1.00 0.00 H new ATOM 1258 N LYS A 97 -12.463 -4.195 -8.329 1.00 0.00 N ATOM 1259 CA LYS A 97 -13.930 -4.036 -8.063 1.00 0.00 C ATOM 1260 C LYS A 97 -14.317 -4.970 -6.913 1.00 0.00 C ATOM 1261 O LYS A 97 -15.007 -4.601 -5.994 1.00 0.00 O ATOM 1262 CB LYS A 97 -14.721 -4.393 -9.329 1.00 0.00 C ATOM 1263 CG LYS A 97 -14.680 -3.204 -10.287 1.00 0.00 C ATOM 1264 CD LYS A 97 -15.138 -3.631 -11.683 1.00 0.00 C ATOM 1265 CE LYS A 97 -16.405 -4.462 -11.568 1.00 0.00 C ATOM 1266 NZ LYS A 97 -17.064 -4.574 -12.977 1.00 0.00 N ATOM 0 H LYS A 97 -12.228 -4.670 -9.201 1.00 0.00 H new ATOM 0 HA LYS A 97 -14.158 -3.006 -7.790 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.294 -5.276 -9.805 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.752 -4.636 -9.074 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -15.322 -2.406 -9.914 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -13.668 -2.802 -10.336 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -15.321 -2.753 -12.302 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -14.355 -4.209 -12.174 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -16.172 -5.454 -11.181 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -17.097 -4.000 -10.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -17.933 -5.141 -12.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -17.298 -3.623 -13.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -16.401 -5.032 -13.635 1.00 0.00 H new ATOM 1280 N ALA A 98 -13.866 -6.177 -6.951 1.00 0.00 N ATOM 1281 CA ALA A 98 -14.216 -7.142 -5.869 1.00 0.00 C ATOM 1282 C ALA A 98 -13.759 -6.577 -4.524 1.00 0.00 C ATOM 1283 O ALA A 98 -14.370 -6.773 -3.499 1.00 0.00 O ATOM 1284 CB ALA A 98 -13.477 -8.517 -6.168 1.00 0.00 C ATOM 0 H ALA A 98 -13.265 -6.550 -7.686 1.00 0.00 H new ATOM 0 HA ALA A 98 -15.293 -7.305 -5.833 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -13.720 -9.238 -5.387 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -13.804 -8.903 -7.133 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -12.399 -8.354 -6.189 1.00 0.00 H new ATOM 1290 N THR A 99 -12.688 -5.864 -4.536 1.00 0.00 N ATOM 1291 CA THR A 99 -12.149 -5.266 -3.290 1.00 0.00 C ATOM 1292 C THR A 99 -12.844 -3.918 -3.049 1.00 0.00 C ATOM 1293 O THR A 99 -13.477 -3.683 -2.047 1.00 0.00 O ATOM 1294 CB THR A 99 -10.648 -5.071 -3.519 1.00 0.00 C ATOM 1295 OG1 THR A 99 -10.413 -4.941 -4.909 1.00 0.00 O ATOM 1296 CG2 THR A 99 -9.841 -6.320 -2.962 1.00 0.00 C ATOM 0 H THR A 99 -12.144 -5.661 -5.375 1.00 0.00 H new ATOM 0 HA THR A 99 -12.321 -5.897 -2.418 1.00 0.00 H new ATOM 0 HB THR A 99 -10.314 -4.176 -2.995 1.00 0.00 H new ATOM 0 HG1 THR A 99 -10.267 -5.827 -5.300 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.775 -6.169 -3.131 1.00 0.00 H new ATOM 0 HG22 THR A 99 -10.028 -6.427 -1.893 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.166 -7.223 -3.479 1.00 0.00 H new ATOM 1304 N THR A 100 -12.738 -3.043 -3.988 1.00 0.00 N ATOM 1305 CA THR A 100 -13.370 -1.705 -3.869 1.00 0.00 C ATOM 1306 C THR A 100 -14.845 -1.882 -3.470 1.00 0.00 C ATOM 1307 O THR A 100 -15.352 -1.221 -2.593 1.00 0.00 O ATOM 1308 CB THR A 100 -13.210 -1.030 -5.229 1.00 0.00 C ATOM 1309 OG1 THR A 100 -11.832 -1.030 -5.541 1.00 0.00 O ATOM 1310 CG2 THR A 100 -13.748 0.464 -5.197 1.00 0.00 C ATOM 0 H THR A 100 -12.228 -3.196 -4.858 1.00 0.00 H new ATOM 0 HA THR A 100 -12.908 -1.085 -3.101 1.00 0.00 H new ATOM 0 HB THR A 100 -13.787 -1.571 -5.978 1.00 0.00 H new ATOM 0 HG1 THR A 100 -11.615 -1.831 -6.062 1.00 0.00 H new ATOM 0 HG21 THR A 100 -13.620 0.918 -6.180 1.00 0.00 H new ATOM 0 HG22 THR A 100 -14.805 0.464 -4.932 1.00 0.00 H new ATOM 0 HG23 THR A 100 -13.188 1.037 -4.458 1.00 0.00 H new ATOM 1318 N ASP A 101 -15.521 -2.808 -4.075 1.00 0.00 N ATOM 1319 CA ASP A 101 -16.956 -3.071 -3.719 1.00 0.00 C ATOM 1320 C ASP A 101 -16.994 -3.661 -2.311 1.00 0.00 C ATOM 1321 O ASP A 101 -17.790 -3.282 -1.477 1.00 0.00 O ATOM 1322 CB ASP A 101 -17.522 -4.123 -4.680 1.00 0.00 C ATOM 1323 CG ASP A 101 -17.600 -3.573 -6.109 1.00 0.00 C ATOM 1324 OD1 ASP A 101 -17.393 -2.390 -6.282 1.00 0.00 O ATOM 1325 OD2 ASP A 101 -17.840 -4.354 -7.009 1.00 0.00 O ATOM 0 H ASP A 101 -15.146 -3.407 -4.811 1.00 0.00 H new ATOM 0 HA ASP A 101 -17.533 -2.148 -3.779 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -16.893 -5.013 -4.662 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -18.515 -4.427 -4.349 1.00 0.00 H new ATOM 1330 N LEU A 102 -16.143 -4.606 -2.051 1.00 0.00 N ATOM 1331 CA LEU A 102 -16.122 -5.249 -0.709 1.00 0.00 C ATOM 1332 C LEU A 102 -15.696 -4.216 0.325 1.00 0.00 C ATOM 1333 O LEU A 102 -16.280 -4.084 1.376 1.00 0.00 O ATOM 1334 CB LEU A 102 -15.169 -6.464 -0.748 1.00 0.00 C ATOM 1335 CG LEU A 102 -15.070 -7.170 0.615 1.00 0.00 C ATOM 1336 CD1 LEU A 102 -14.204 -6.292 1.624 1.00 0.00 C ATOM 1337 CD2 LEU A 102 -16.554 -7.303 1.216 1.00 0.00 C ATOM 0 H LEU A 102 -15.455 -4.965 -2.713 1.00 0.00 H new ATOM 0 HA LEU A 102 -17.111 -5.612 -0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -15.518 -7.174 -1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -14.177 -6.135 -1.058 1.00 0.00 H new ATOM 0 HG LEU A 102 -14.602 -8.146 0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -14.140 -6.800 2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -13.202 -6.155 1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -14.677 -5.319 1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -16.511 -7.801 2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -16.988 -6.310 1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -17.172 -7.888 0.534 1.00 0.00 H new ATOM 1349 N LEU A 103 -14.714 -3.439 0.005 1.00 0.00 N ATOM 1350 CA LEU A 103 -14.260 -2.370 0.940 1.00 0.00 C ATOM 1351 C LEU A 103 -15.402 -1.369 1.142 1.00 0.00 C ATOM 1352 O LEU A 103 -15.628 -0.871 2.221 1.00 0.00 O ATOM 1353 CB LEU A 103 -13.015 -1.689 0.327 1.00 0.00 C ATOM 1354 CG LEU A 103 -11.715 -2.351 0.806 1.00 0.00 C ATOM 1355 CD1 LEU A 103 -11.679 -3.873 0.313 1.00 0.00 C ATOM 1356 CD2 LEU A 103 -10.481 -1.597 0.131 1.00 0.00 C ATOM 0 H LEU A 103 -14.196 -3.493 -0.872 1.00 0.00 H new ATOM 0 HA LEU A 103 -13.993 -2.781 1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -13.070 -1.739 -0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -13.007 -0.633 0.597 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.662 -2.301 1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -10.756 -4.344 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -12.533 -4.409 0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -11.723 -3.904 -0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -9.549 -2.056 0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -10.558 -1.672 -0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.492 -0.547 0.423 1.00 0.00 H new ATOM 1368 N HIS A 104 -16.154 -1.096 0.118 1.00 0.00 N ATOM 1369 CA HIS A 104 -17.309 -0.152 0.254 1.00 0.00 C ATOM 1370 C HIS A 104 -18.357 -0.792 1.169 1.00 0.00 C ATOM 1371 O HIS A 104 -19.211 -0.141 1.726 1.00 0.00 O ATOM 1372 CB HIS A 104 -17.903 0.107 -1.139 1.00 0.00 C ATOM 1373 CG HIS A 104 -19.028 1.104 -1.044 1.00 0.00 C ATOM 1374 ND1 HIS A 104 -18.811 2.441 -0.723 1.00 0.00 N ATOM 1375 CD2 HIS A 104 -20.375 0.984 -1.257 1.00 0.00 C ATOM 1376 CE1 HIS A 104 -20.008 3.062 -0.760 1.00 0.00 C ATOM 1377 NE2 HIS A 104 -20.992 2.228 -1.079 1.00 0.00 N ATOM 0 H HIS A 104 -16.023 -1.485 -0.816 1.00 0.00 H new ATOM 0 HA HIS A 104 -16.986 0.796 0.685 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -17.129 0.482 -1.809 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -18.269 -0.827 -1.566 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -20.884 0.069 -1.522 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -20.150 4.113 -0.555 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -21.984 2.447 -1.174 1.00 0.00 H new ATOM 1386 N ALA A 105 -18.274 -2.069 1.357 1.00 0.00 N ATOM 1387 CA ALA A 105 -19.249 -2.758 2.253 1.00 0.00 C ATOM 1388 C ALA A 105 -19.093 -2.190 3.660 1.00 0.00 C ATOM 1389 O ALA A 105 -19.953 -2.297 4.494 1.00 0.00 O ATOM 1390 CB ALA A 105 -18.933 -4.317 2.261 1.00 0.00 C ATOM 0 H ALA A 105 -17.573 -2.675 0.931 1.00 0.00 H new ATOM 0 HA ALA A 105 -20.269 -2.602 1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -19.641 -4.828 2.913 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -19.022 -4.711 1.249 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -17.919 -4.481 2.626 1.00 0.00 H new ATOM 1396 N GLY A 106 -17.977 -1.577 3.922 1.00 0.00 N ATOM 1397 CA GLY A 106 -17.732 -0.977 5.268 1.00 0.00 C ATOM 1398 C GLY A 106 -16.323 -1.324 5.730 1.00 0.00 C ATOM 1399 O GLY A 106 -16.091 -1.667 6.867 1.00 0.00 O ATOM 0 H GLY A 106 -17.213 -1.462 3.256 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -17.855 0.105 5.223 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -18.464 -1.352 5.984 1.00 0.00 H new ATOM 1403 N PHE A 107 -15.382 -1.248 4.853 1.00 0.00 N ATOM 1404 CA PHE A 107 -13.977 -1.575 5.227 1.00 0.00 C ATOM 1405 C PHE A 107 -13.018 -0.815 4.311 1.00 0.00 C ATOM 1406 O PHE A 107 -11.949 -1.276 3.986 1.00 0.00 O ATOM 1407 CB PHE A 107 -13.744 -3.076 5.057 1.00 0.00 C ATOM 1408 CG PHE A 107 -14.457 -3.862 6.144 1.00 0.00 C ATOM 1409 CD1 PHE A 107 -13.835 -4.041 7.391 1.00 0.00 C ATOM 1410 CD2 PHE A 107 -15.730 -4.423 5.910 1.00 0.00 C ATOM 1411 CE1 PHE A 107 -14.464 -4.790 8.390 1.00 0.00 C ATOM 1412 CE2 PHE A 107 -16.357 -5.177 6.911 1.00 0.00 C ATOM 1413 CZ PHE A 107 -15.732 -5.351 8.157 1.00 0.00 C ATOM 0 H PHE A 107 -15.517 -0.972 3.880 1.00 0.00 H new ATOM 0 HA PHE A 107 -13.801 -1.289 6.264 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -14.102 -3.395 4.078 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -12.675 -3.288 5.091 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -12.868 -3.599 7.578 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -16.221 -4.271 4.960 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -13.975 -4.938 9.342 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -17.322 -5.625 6.724 1.00 0.00 H new ATOM 0 HZ PHE A 107 -16.225 -5.915 8.935 1.00 0.00 H new ATOM 1423 N THR A 108 -13.392 0.352 3.885 1.00 0.00 N ATOM 1424 CA THR A 108 -12.495 1.136 2.992 1.00 0.00 C ATOM 1425 C THR A 108 -11.521 1.971 3.827 1.00 0.00 C ATOM 1426 O THR A 108 -10.959 1.516 4.797 1.00 0.00 O ATOM 1427 CB THR A 108 -13.313 2.085 2.109 1.00 0.00 C ATOM 1428 OG1 THR A 108 -12.424 2.874 1.368 1.00 0.00 O ATOM 1429 CG2 THR A 108 -14.226 3.050 2.982 1.00 0.00 C ATOM 0 H THR A 108 -14.279 0.800 4.114 1.00 0.00 H new ATOM 0 HA THR A 108 -11.945 0.434 2.366 1.00 0.00 H new ATOM 0 HB THR A 108 -13.957 1.488 1.463 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.671 2.324 1.068 1.00 0.00 H new ATOM 0 HG21 THR A 108 -14.792 3.709 2.324 1.00 0.00 H new ATOM 0 HG22 THR A 108 -14.916 2.455 3.581 1.00 0.00 H new ATOM 0 HG23 THR A 108 -13.597 3.648 3.641 1.00 0.00 H new ATOM 1437 N GLY A 109 -11.324 3.193 3.445 1.00 0.00 N ATOM 1438 CA GLY A 109 -10.388 4.093 4.192 1.00 0.00 C ATOM 1439 C GLY A 109 -8.960 3.775 3.773 1.00 0.00 C ATOM 1440 O GLY A 109 -8.014 4.022 4.482 1.00 0.00 O ATOM 0 H GLY A 109 -11.774 3.622 2.636 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -10.619 5.137 3.980 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -10.506 3.952 5.266 1.00 0.00 H new ATOM 1444 N VAL A 110 -8.800 3.209 2.622 1.00 0.00 N ATOM 1445 CA VAL A 110 -7.440 2.838 2.154 1.00 0.00 C ATOM 1446 C VAL A 110 -7.332 3.055 0.650 1.00 0.00 C ATOM 1447 O VAL A 110 -8.309 3.228 -0.033 1.00 0.00 O ATOM 1448 CB VAL A 110 -7.203 1.375 2.507 1.00 0.00 C ATOM 1449 CG1 VAL A 110 -8.403 0.807 3.393 1.00 0.00 C ATOM 1450 CG2 VAL A 110 -7.150 0.543 1.156 1.00 0.00 C ATOM 0 H VAL A 110 -9.556 2.983 1.976 1.00 0.00 H new ATOM 0 HA VAL A 110 -6.686 3.460 2.636 1.00 0.00 H new ATOM 0 HB VAL A 110 -6.273 1.290 3.069 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -8.214 -0.239 3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.479 1.384 4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -9.336 0.888 2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -6.981 -0.510 1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.095 0.652 0.624 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -6.337 0.914 0.532 1.00 0.00 H new ATOM 1460 N LYS A 111 -6.150 3.053 0.136 1.00 0.00 N ATOM 1461 CA LYS A 111 -5.982 3.271 -1.323 1.00 0.00 C ATOM 1462 C LYS A 111 -5.794 1.914 -2.004 1.00 0.00 C ATOM 1463 O LYS A 111 -5.344 0.956 -1.419 1.00 0.00 O ATOM 1464 CB LYS A 111 -4.773 4.191 -1.563 1.00 0.00 C ATOM 1465 CG LYS A 111 -5.073 5.570 -0.963 1.00 0.00 C ATOM 1466 CD LYS A 111 -3.925 6.536 -1.300 1.00 0.00 C ATOM 1467 CE LYS A 111 -4.146 7.887 -0.604 1.00 0.00 C ATOM 1468 NZ LYS A 111 -5.621 8.341 -0.855 1.00 0.00 N ATOM 0 H LYS A 111 -5.286 2.910 0.658 1.00 0.00 H new ATOM 0 HA LYS A 111 -6.863 3.754 -1.746 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.879 3.767 -1.105 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -4.573 4.280 -2.631 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.013 5.954 -1.358 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -5.190 5.491 0.118 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -2.974 6.107 -0.983 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -3.866 6.680 -2.379 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -3.954 7.798 0.465 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -3.450 8.631 -0.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -5.707 9.360 -0.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -5.880 8.148 -1.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -6.258 7.817 -0.222 1.00 0.00 H new ATOM 1482 N ASP A 112 -6.159 1.838 -3.245 1.00 0.00 N ATOM 1483 CA ASP A 112 -6.034 0.555 -3.997 1.00 0.00 C ATOM 1484 C ASP A 112 -4.904 0.689 -5.002 1.00 0.00 C ATOM 1485 O ASP A 112 -4.956 1.480 -5.912 1.00 0.00 O ATOM 1486 CB ASP A 112 -7.329 0.225 -4.764 1.00 0.00 C ATOM 1487 CG ASP A 112 -7.960 -1.086 -4.269 1.00 0.00 C ATOM 1488 OD1 ASP A 112 -7.226 -2.005 -3.964 1.00 0.00 O ATOM 1489 OD2 ASP A 112 -9.173 -1.155 -4.238 1.00 0.00 O ATOM 0 H ASP A 112 -6.544 2.615 -3.782 1.00 0.00 H new ATOM 0 HA ASP A 112 -5.838 -0.244 -3.282 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -8.042 1.041 -4.644 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -7.112 0.146 -5.829 1.00 0.00 H new ATOM 1494 N ILE A 113 -3.886 -0.070 -4.838 1.00 0.00 N ATOM 1495 CA ILE A 113 -2.737 0.009 -5.769 1.00 0.00 C ATOM 1496 C ILE A 113 -2.796 -1.130 -6.778 1.00 0.00 C ATOM 1497 O ILE A 113 -2.936 -2.279 -6.434 1.00 0.00 O ATOM 1498 CB ILE A 113 -1.449 -0.080 -4.968 1.00 0.00 C ATOM 1499 CG1 ILE A 113 -1.478 0.990 -3.866 1.00 0.00 C ATOM 1500 CG2 ILE A 113 -0.240 0.200 -5.971 1.00 0.00 C ATOM 1501 CD1 ILE A 113 -0.464 2.174 -4.220 1.00 0.00 C ATOM 0 H ILE A 113 -3.789 -0.756 -4.090 1.00 0.00 H new ATOM 0 HA ILE A 113 -2.773 0.954 -6.311 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.334 -1.061 -4.506 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.488 1.386 -3.760 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.208 0.544 -2.909 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.704 0.144 -5.428 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.246 -0.546 -6.766 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.350 1.194 -6.405 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.493 2.926 -3.432 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.547 1.775 -4.303 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.753 2.630 -5.167 1.00 0.00 H new ATOM 1513 N VAL A 114 -2.712 -0.820 -8.031 1.00 0.00 N ATOM 1514 CA VAL A 114 -2.770 -1.889 -9.068 1.00 0.00 C ATOM 1515 C VAL A 114 -1.361 -2.229 -9.534 1.00 0.00 C ATOM 1516 O VAL A 114 -0.538 -1.371 -9.766 1.00 0.00 O ATOM 1517 CB VAL A 114 -3.602 -1.405 -10.269 1.00 0.00 C ATOM 1518 CG1 VAL A 114 -3.507 -2.483 -11.433 1.00 0.00 C ATOM 1519 CG2 VAL A 114 -5.137 -1.281 -9.848 1.00 0.00 C ATOM 0 H VAL A 114 -2.605 0.129 -8.390 1.00 0.00 H new ATOM 0 HA VAL A 114 -3.235 -2.777 -8.639 1.00 0.00 H new ATOM 0 HB VAL A 114 -3.221 -0.438 -10.598 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -4.094 -2.148 -12.288 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -2.466 -2.604 -11.733 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -3.896 -3.437 -11.078 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -5.722 -0.938 -10.702 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -5.505 -2.254 -9.523 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -5.234 -0.566 -9.031 1.00 0.00 H new ATOM 1529 N GLY A 115 -1.096 -3.479 -9.679 1.00 0.00 N ATOM 1530 CA GLY A 115 0.251 -3.926 -10.132 1.00 0.00 C ATOM 1531 C GLY A 115 1.197 -3.993 -8.941 1.00 0.00 C ATOM 1532 O GLY A 115 0.798 -4.176 -7.813 1.00 0.00 O ATOM 0 H GLY A 115 -1.760 -4.233 -9.503 1.00 0.00 H new ATOM 0 HA2 GLY A 115 0.179 -4.904 -10.607 1.00 0.00 H new ATOM 0 HA3 GLY A 115 0.641 -3.236 -10.880 1.00 0.00 H new ATOM 1536 N GLY A 116 2.456 -3.855 -9.195 1.00 0.00 N ATOM 1537 CA GLY A 116 3.461 -3.902 -8.095 1.00 0.00 C ATOM 1538 C GLY A 116 3.924 -5.344 -7.883 1.00 0.00 C ATOM 1539 O GLY A 116 5.093 -5.637 -7.795 1.00 0.00 O ATOM 0 H GLY A 116 2.845 -3.709 -10.127 1.00 0.00 H new ATOM 0 HA2 GLY A 116 4.313 -3.268 -8.340 1.00 0.00 H new ATOM 0 HA3 GLY A 116 3.027 -3.510 -7.175 1.00 0.00 H new ATOM 1543 N TYR A 117 2.990 -6.231 -7.815 1.00 0.00 N ATOM 1544 CA TYR A 117 3.288 -7.682 -7.616 1.00 0.00 C ATOM 1545 C TYR A 117 4.305 -8.142 -8.651 1.00 0.00 C ATOM 1546 O TYR A 117 5.328 -8.707 -8.337 1.00 0.00 O ATOM 1547 CB TYR A 117 1.970 -8.434 -7.805 1.00 0.00 C ATOM 1548 CG TYR A 117 2.153 -9.941 -7.730 1.00 0.00 C ATOM 1549 CD1 TYR A 117 2.657 -10.524 -6.557 1.00 0.00 C ATOM 1550 CD2 TYR A 117 1.803 -10.760 -8.821 1.00 0.00 C ATOM 1551 CE1 TYR A 117 2.790 -11.910 -6.466 1.00 0.00 C ATOM 1552 CE2 TYR A 117 1.942 -12.148 -8.728 1.00 0.00 C ATOM 1553 CZ TYR A 117 2.448 -12.729 -7.554 1.00 0.00 C ATOM 1554 OH TYR A 117 2.587 -14.099 -7.457 1.00 0.00 O ATOM 0 H TYR A 117 1.996 -6.014 -7.890 1.00 0.00 H new ATOM 0 HA TYR A 117 3.704 -7.869 -6.626 1.00 0.00 H new ATOM 0 HB2 TYR A 117 1.260 -8.117 -7.041 1.00 0.00 H new ATOM 0 HB3 TYR A 117 1.538 -8.170 -8.770 1.00 0.00 H new ATOM 0 HD1 TYR A 117 2.942 -9.899 -5.724 1.00 0.00 H new ATOM 0 HD2 TYR A 117 1.427 -10.315 -9.730 1.00 0.00 H new ATOM 0 HE1 TYR A 117 3.158 -12.355 -5.554 1.00 0.00 H new ATOM 0 HE2 TYR A 117 1.660 -12.775 -9.561 1.00 0.00 H new ATOM 0 HH TYR A 117 2.305 -14.517 -8.298 1.00 0.00 H new ATOM 1564 N SER A 118 4.019 -7.907 -9.888 1.00 0.00 N ATOM 1565 CA SER A 118 4.962 -8.318 -10.968 1.00 0.00 C ATOM 1566 C SER A 118 6.185 -7.421 -10.935 1.00 0.00 C ATOM 1567 O SER A 118 7.288 -7.836 -11.200 1.00 0.00 O ATOM 1568 CB SER A 118 4.268 -8.205 -12.327 1.00 0.00 C ATOM 1569 OG SER A 118 4.089 -6.834 -12.660 1.00 0.00 O ATOM 0 H SER A 118 3.168 -7.445 -10.209 1.00 0.00 H new ATOM 0 HA SER A 118 5.269 -9.352 -10.812 1.00 0.00 H new ATOM 0 HB2 SER A 118 4.864 -8.701 -13.093 1.00 0.00 H new ATOM 0 HB3 SER A 118 3.303 -8.711 -12.297 1.00 0.00 H new ATOM 0 HG SER A 118 3.646 -6.764 -13.531 1.00 0.00 H new ATOM 1575 N ALA A 119 5.998 -6.193 -10.601 1.00 0.00 N ATOM 1576 CA ALA A 119 7.151 -5.256 -10.549 1.00 0.00 C ATOM 1577 C ALA A 119 8.010 -5.596 -9.338 1.00 0.00 C ATOM 1578 O ALA A 119 9.186 -5.835 -9.439 1.00 0.00 O ATOM 1579 CB ALA A 119 6.603 -3.772 -10.414 1.00 0.00 C ATOM 0 H ALA A 119 5.095 -5.786 -10.359 1.00 0.00 H new ATOM 0 HA ALA A 119 7.749 -5.343 -11.456 1.00 0.00 H new ATOM 0 HB1 ALA A 119 7.441 -3.077 -10.375 1.00 0.00 H new ATOM 0 HB2 ALA A 119 5.976 -3.536 -11.274 1.00 0.00 H new ATOM 0 HB3 ALA A 119 6.015 -3.683 -9.500 1.00 0.00 H new ATOM 1585 N TRP A 120 7.414 -5.628 -8.181 1.00 0.00 N ATOM 1586 CA TRP A 120 8.181 -5.965 -6.940 1.00 0.00 C ATOM 1587 C TRP A 120 8.752 -7.361 -7.131 1.00 0.00 C ATOM 1588 O TRP A 120 9.845 -7.672 -6.723 1.00 0.00 O ATOM 1589 CB TRP A 120 7.225 -5.922 -5.721 1.00 0.00 C ATOM 1590 CG TRP A 120 7.821 -6.627 -4.535 1.00 0.00 C ATOM 1591 CD1 TRP A 120 8.612 -6.057 -3.580 1.00 0.00 C ATOM 1592 CD2 TRP A 120 7.720 -8.028 -4.186 1.00 0.00 C ATOM 1593 NE1 TRP A 120 8.986 -7.045 -2.683 1.00 0.00 N ATOM 1594 CE2 TRP A 120 8.477 -8.274 -3.021 1.00 0.00 C ATOM 1595 CE3 TRP A 120 7.080 -9.115 -4.797 1.00 0.00 C ATOM 1596 CZ2 TRP A 120 8.536 -9.550 -2.441 1.00 0.00 C ATOM 1597 CZ3 TRP A 120 7.133 -10.398 -4.233 1.00 0.00 C ATOM 1598 CH2 TRP A 120 7.890 -10.618 -3.068 1.00 0.00 C ATOM 0 H TRP A 120 6.423 -5.435 -8.035 1.00 0.00 H new ATOM 0 HA TRP A 120 8.987 -5.253 -6.760 1.00 0.00 H new ATOM 0 HB2 TRP A 120 7.010 -4.886 -5.461 1.00 0.00 H new ATOM 0 HB3 TRP A 120 6.275 -6.388 -5.984 1.00 0.00 H new ATOM 0 HD1 TRP A 120 8.897 -5.016 -3.532 1.00 0.00 H new ATOM 0 HE1 TRP A 120 9.572 -6.878 -1.865 1.00 0.00 H new ATOM 0 HE3 TRP A 120 6.537 -8.962 -5.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 9.076 -9.705 -1.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 6.595 -11.214 -4.692 1.00 0.00 H new ATOM 0 HH2 TRP A 120 7.972 -11.614 -2.658 1.00 0.00 H new ATOM 1609 N ALA A 121 8.029 -8.200 -7.795 1.00 0.00 N ATOM 1610 CA ALA A 121 8.525 -9.584 -8.038 1.00 0.00 C ATOM 1611 C ALA A 121 9.916 -9.505 -8.651 1.00 0.00 C ATOM 1612 O ALA A 121 10.782 -10.301 -8.382 1.00 0.00 O ATOM 1613 CB ALA A 121 7.549 -10.318 -9.053 1.00 0.00 C ATOM 0 H ALA A 121 7.110 -7.994 -8.186 1.00 0.00 H new ATOM 0 HA ALA A 121 8.561 -10.138 -7.100 1.00 0.00 H new ATOM 0 HB1 ALA A 121 7.908 -11.331 -9.234 1.00 0.00 H new ATOM 0 HB2 ALA A 121 6.546 -10.359 -8.628 1.00 0.00 H new ATOM 0 HB3 ALA A 121 7.523 -9.769 -9.994 1.00 0.00 H new ATOM 1619 N LYS A 122 10.137 -8.537 -9.489 1.00 0.00 N ATOM 1620 CA LYS A 122 11.476 -8.387 -10.128 1.00 0.00 C ATOM 1621 C LYS A 122 12.499 -8.169 -9.013 1.00 0.00 C ATOM 1622 O LYS A 122 13.651 -8.518 -9.128 1.00 0.00 O ATOM 1623 CB LYS A 122 11.455 -7.185 -11.084 1.00 0.00 C ATOM 1624 CG LYS A 122 10.415 -7.427 -12.173 1.00 0.00 C ATOM 1625 CD LYS A 122 10.658 -6.460 -13.342 1.00 0.00 C ATOM 1626 CE LYS A 122 10.687 -5.016 -12.833 1.00 0.00 C ATOM 1627 NZ LYS A 122 10.438 -4.056 -14.045 1.00 0.00 N ATOM 0 H LYS A 122 9.447 -7.838 -9.763 1.00 0.00 H new ATOM 0 HA LYS A 122 11.737 -9.275 -10.704 1.00 0.00 H new ATOM 0 HB2 LYS A 122 11.219 -6.273 -10.535 1.00 0.00 H new ATOM 0 HB3 LYS A 122 12.439 -7.043 -11.530 1.00 0.00 H new ATOM 0 HG2 LYS A 122 10.473 -8.458 -12.523 1.00 0.00 H new ATOM 0 HG3 LYS A 122 9.412 -7.283 -11.771 1.00 0.00 H new ATOM 0 HD2 LYS A 122 11.601 -6.700 -13.833 1.00 0.00 H new ATOM 0 HD3 LYS A 122 9.872 -6.575 -14.089 1.00 0.00 H new ATOM 0 HE2 LYS A 122 9.923 -4.868 -12.070 1.00 0.00 H new ATOM 0 HE3 LYS A 122 11.648 -4.798 -12.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 10.455 -3.070 -13.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 11.183 -4.196 -14.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 9.511 -4.264 -14.468 1.00 0.00 H new ATOM 1641 N ASN A 123 12.075 -7.629 -7.905 1.00 0.00 N ATOM 1642 CA ASN A 123 13.023 -7.399 -6.762 1.00 0.00 C ATOM 1643 C ASN A 123 13.708 -8.718 -6.434 1.00 0.00 C ATOM 1644 O ASN A 123 14.906 -8.802 -6.296 1.00 0.00 O ATOM 1645 CB ASN A 123 12.240 -6.949 -5.529 1.00 0.00 C ATOM 1646 CG ASN A 123 11.598 -8.130 -4.823 1.00 0.00 C ATOM 1647 OD1 ASN A 123 11.000 -8.985 -5.436 1.00 0.00 O ATOM 1648 ND2 ASN A 123 11.688 -8.201 -3.533 1.00 0.00 N ATOM 0 H ASN A 123 11.113 -7.334 -7.735 1.00 0.00 H new ATOM 0 HA ASN A 123 13.752 -6.637 -7.037 1.00 0.00 H new ATOM 0 HB2 ASN A 123 12.907 -6.430 -4.841 1.00 0.00 H new ATOM 0 HB3 ASN A 123 11.470 -6.236 -5.824 1.00 0.00 H new ATOM 0 HD21 ASN A 123 11.255 -8.978 -3.034 1.00 0.00 H new ATOM 0 HD22 ASN A 123 12.192 -7.480 -3.016 1.00 0.00 H new ATOM 1655 N GLY A 124 12.939 -9.754 -6.291 1.00 0.00 N ATOM 1656 CA GLY A 124 13.513 -11.092 -5.962 1.00 0.00 C ATOM 1657 C GLY A 124 14.007 -11.073 -4.516 1.00 0.00 C ATOM 1658 O GLY A 124 14.794 -11.891 -4.102 1.00 0.00 O ATOM 0 H GLY A 124 11.924 -9.736 -6.388 1.00 0.00 H new ATOM 0 HA2 GLY A 124 12.760 -11.869 -6.093 1.00 0.00 H new ATOM 0 HA3 GLY A 124 14.335 -11.327 -6.639 1.00 0.00 H new ATOM 1662 N LEU A 125 13.543 -10.143 -3.739 1.00 0.00 N ATOM 1663 CA LEU A 125 14.000 -10.062 -2.321 1.00 0.00 C ATOM 1664 C LEU A 125 12.785 -10.106 -1.392 1.00 0.00 C ATOM 1665 O LEU A 125 12.104 -9.123 -1.211 1.00 0.00 O ATOM 1666 CB LEU A 125 14.775 -8.751 -2.101 1.00 0.00 C ATOM 1667 CG LEU A 125 16.080 -8.803 -2.910 1.00 0.00 C ATOM 1668 CD1 LEU A 125 16.544 -7.324 -3.269 1.00 0.00 C ATOM 1669 CD2 LEU A 125 17.226 -9.478 -2.024 1.00 0.00 C ATOM 0 H LEU A 125 12.867 -9.433 -4.019 1.00 0.00 H new ATOM 0 HA LEU A 125 14.655 -10.905 -2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 125 14.171 -7.899 -2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 125 14.993 -8.615 -1.042 1.00 0.00 H new ATOM 0 HG LEU A 125 15.911 -9.379 -3.820 1.00 0.00 H new ATOM 0 HD11 LEU A 125 17.470 -7.362 -3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 125 15.771 -6.833 -3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 125 16.710 -6.762 -2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 125 18.153 -9.516 -2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 125 17.381 -8.889 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 125 16.926 -10.490 -1.751 1.00 0.00 H new ATOM 1681 N PRO A 126 12.488 -11.256 -0.861 1.00 0.00 N ATOM 1682 CA PRO A 126 11.353 -11.427 0.075 1.00 0.00 C ATOM 1683 C PRO A 126 11.752 -11.297 1.529 1.00 0.00 C ATOM 1684 O PRO A 126 12.560 -12.044 2.042 1.00 0.00 O ATOM 1685 CB PRO A 126 10.843 -12.843 -0.226 1.00 0.00 C ATOM 1686 CG PRO A 126 11.987 -13.604 -0.808 1.00 0.00 C ATOM 1687 CD PRO A 126 13.118 -12.611 -1.114 1.00 0.00 C ATOM 0 HA PRO A 126 10.602 -10.650 -0.068 1.00 0.00 H new ATOM 0 HB2 PRO A 126 10.482 -13.324 0.683 1.00 0.00 H new ATOM 0 HB3 PRO A 126 10.006 -12.811 -0.924 1.00 0.00 H new ATOM 0 HG2 PRO A 126 12.330 -14.367 -0.110 1.00 0.00 H new ATOM 0 HG3 PRO A 126 11.677 -14.119 -1.717 1.00 0.00 H new ATOM 0 HD2 PRO A 126 13.981 -12.777 -0.470 1.00 0.00 H new ATOM 0 HD3 PRO A 126 13.465 -12.705 -2.143 1.00 0.00 H new