USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 648 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 25 THR OG1 : rot -35:sc= 0.0763 USER MOD Set 1.2: A 99 THR OG1 : rot -62:sc= 1.3 USER MOD Set 2.1: A 76 ASN : amide:sc= 0.554 K(o=1.2,f=-5.7!) USER MOD Set 2.2: A 97 LYS NZ :NH3+ -144:sc= 0.613 (180deg=0) USER MOD Set 3.1: A 36 THR OG1 : rot 170:sc= 0.00218 USER MOD Set 3.2: A 65 HIS : no HD1:sc= 0 X(o=0.0022,f=0.0022) USER MOD Set 4.1: A 29 SER OG : rot -31:sc= 0.157 USER MOD Set 4.2: A 70 THR OG1 : rot 180:sc= 0.156 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 160:sc= -0.921 USER MOD Single : A 26 THR OG1 : rot 179:sc= 0.756 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0108 X(o=-0.011,f=-0.018) USER MOD Single : A 38 ASN : amide:sc= -0.723 K(o=-0.72,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0586 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 58 CYS SG : rot 26:sc= 0.334 USER MOD Single : A 61 CYS SG : rot 178:sc= -7.33! USER MOD Single : A 68 THR OG1 : rot -120:sc= 0 USER MOD Single : A 69 TYR OH : rot 175:sc= 0.303 USER MOD Single : A 72 MET CE :methyl 155:sc= -0.196 (180deg=-0.784) USER MOD Single : A 77 TYR OH : rot -19:sc= 0.345 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot -24:sc= -2.38! USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.0879 K(o=-0.088,f=-1) USER MOD Single : A 92 SER OG : rot -7:sc= 1.48 USER MOD Single : A 95 LYS NZ :NH3+ -136:sc= -0.312 (180deg=-1.83!) USER MOD ----------------------------------------------------------------- ATOM 83 N ASP A 10 7.187 -17.493 1.643 1.00 0.00 N ATOM 84 CA ASP A 10 6.305 -17.630 2.796 1.00 0.00 C ATOM 85 C ASP A 10 5.683 -16.288 3.167 1.00 0.00 C ATOM 86 O ASP A 10 6.265 -15.487 3.900 1.00 0.00 O ATOM 87 CB ASP A 10 7.077 -18.196 3.990 1.00 0.00 C ATOM 88 CG ASP A 10 8.177 -19.150 3.569 1.00 0.00 C ATOM 89 OD1 ASP A 10 7.866 -20.151 2.889 1.00 0.00 O ATOM 90 OD2 ASP A 10 9.348 -18.896 3.918 1.00 0.00 O ATOM 0 HA ASP A 10 5.504 -18.320 2.530 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.511 -17.375 4.560 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.385 -18.714 4.654 1.00 0.00 H new ATOM 95 N PRO A 11 4.472 -16.033 2.650 1.00 0.00 N ATOM 96 CA PRO A 11 3.744 -14.788 2.913 1.00 0.00 C ATOM 97 C PRO A 11 3.256 -14.695 4.354 1.00 0.00 C ATOM 98 O PRO A 11 3.037 -13.603 4.876 1.00 0.00 O ATOM 99 CB PRO A 11 2.557 -14.861 1.949 1.00 0.00 C ATOM 100 CG PRO A 11 2.353 -16.317 1.709 1.00 0.00 C ATOM 101 CD PRO A 11 3.720 -16.942 1.769 1.00 0.00 C ATOM 0 HA PRO A 11 4.373 -13.910 2.770 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.667 -14.403 2.381 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.769 -14.332 1.020 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.693 -16.748 2.462 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.886 -16.491 0.739 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.682 -17.953 2.173 1.00 0.00 H new ATOM 0 HD3 PRO A 11 4.174 -17.011 0.781 1.00 0.00 H new ATOM 109 N GLY A 12 3.087 -15.849 4.993 1.00 0.00 N ATOM 110 CA GLY A 12 2.626 -15.875 6.368 1.00 0.00 C ATOM 111 C GLY A 12 3.544 -15.112 7.302 1.00 0.00 C ATOM 112 O GLY A 12 3.134 -14.698 8.387 1.00 0.00 O ATOM 0 H GLY A 12 3.261 -16.766 4.582 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.624 -15.449 6.420 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.550 -16.909 6.703 1.00 0.00 H new ATOM 116 N LEU A 13 4.791 -14.927 6.883 1.00 0.00 N ATOM 117 CA LEU A 13 5.772 -14.210 7.690 1.00 0.00 C ATOM 118 C LEU A 13 5.941 -12.777 7.195 1.00 0.00 C ATOM 119 O LEU A 13 6.794 -12.037 7.685 1.00 0.00 O ATOM 120 CB LEU A 13 7.118 -14.936 7.657 1.00 0.00 C ATOM 121 CG LEU A 13 7.060 -16.461 7.742 1.00 0.00 C ATOM 122 CD1 LEU A 13 8.459 -17.042 7.879 1.00 0.00 C ATOM 123 CD2 LEU A 13 6.183 -16.898 8.907 1.00 0.00 C ATOM 0 H LEU A 13 5.147 -15.264 5.988 1.00 0.00 H new ATOM 0 HA LEU A 13 5.409 -14.179 8.717 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.633 -14.663 6.736 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.727 -14.569 8.483 1.00 0.00 H new ATOM 0 HG LEU A 13 6.620 -16.840 6.820 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.398 -18.129 7.938 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.057 -16.759 7.013 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.927 -16.655 8.785 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.154 -17.987 8.952 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.594 -16.507 9.838 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.173 -16.513 8.766 1.00 0.00 H new ATOM 135 N VAL A 14 5.122 -12.392 6.222 1.00 0.00 N ATOM 136 CA VAL A 14 5.179 -11.046 5.663 1.00 0.00 C ATOM 137 C VAL A 14 4.123 -10.144 6.293 1.00 0.00 C ATOM 138 O VAL A 14 2.958 -10.524 6.412 1.00 0.00 O ATOM 139 CB VAL A 14 4.978 -11.064 4.136 1.00 0.00 C ATOM 140 CG1 VAL A 14 4.876 -9.647 3.594 1.00 0.00 C ATOM 141 CG2 VAL A 14 6.110 -11.823 3.459 1.00 0.00 C ATOM 0 H VAL A 14 4.411 -12.993 5.804 1.00 0.00 H new ATOM 0 HA VAL A 14 6.170 -10.652 5.887 1.00 0.00 H new ATOM 0 HB VAL A 14 4.043 -11.579 3.916 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.734 -9.680 2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.028 -9.141 4.056 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.792 -9.103 3.823 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.952 -11.826 2.380 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.060 -11.338 3.685 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.130 -12.849 3.826 1.00 0.00 H new ATOM 151 N SER A 15 4.539 -8.947 6.694 1.00 0.00 N ATOM 152 CA SER A 15 3.630 -7.991 7.316 1.00 0.00 C ATOM 153 C SER A 15 3.912 -6.575 6.824 1.00 0.00 C ATOM 154 O SER A 15 4.966 -6.304 6.250 1.00 0.00 O ATOM 155 CB SER A 15 3.757 -8.049 8.839 1.00 0.00 C ATOM 156 OG SER A 15 2.594 -7.540 9.468 1.00 0.00 O ATOM 0 H SER A 15 5.499 -8.616 6.599 1.00 0.00 H new ATOM 0 HA SER A 15 2.612 -8.259 7.034 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.923 -9.079 9.154 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.627 -7.474 9.157 1.00 0.00 H new ATOM 0 HG SER A 15 2.700 -7.590 10.441 1.00 0.00 H new ATOM 162 N ALA A 16 2.961 -5.675 7.053 1.00 0.00 N ATOM 163 CA ALA A 16 3.107 -4.286 6.636 1.00 0.00 C ATOM 164 C ALA A 16 2.684 -3.332 7.748 1.00 0.00 C ATOM 165 O ALA A 16 1.697 -3.572 8.443 1.00 0.00 O ATOM 166 CB ALA A 16 2.294 -4.026 5.376 1.00 0.00 C ATOM 0 H ALA A 16 2.081 -5.883 7.525 1.00 0.00 H new ATOM 0 HA ALA A 16 4.160 -4.105 6.420 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.412 -2.985 5.075 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.645 -4.677 4.575 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.242 -4.230 5.574 1.00 0.00 H new ATOM 172 N TYR A 17 3.436 -2.249 7.910 1.00 0.00 N ATOM 173 CA TYR A 17 3.141 -1.260 8.939 1.00 0.00 C ATOM 174 C TYR A 17 3.265 0.156 8.386 1.00 0.00 C ATOM 175 O TYR A 17 4.158 0.448 7.591 1.00 0.00 O ATOM 176 CB TYR A 17 4.082 -1.438 10.132 1.00 0.00 C ATOM 177 CG TYR A 17 5.544 -1.284 9.778 1.00 0.00 C ATOM 178 CD1 TYR A 17 6.106 -0.026 9.598 1.00 0.00 C ATOM 179 CD2 TYR A 17 6.362 -2.396 9.624 1.00 0.00 C ATOM 180 CE1 TYR A 17 7.441 0.119 9.274 1.00 0.00 C ATOM 181 CE2 TYR A 17 7.699 -2.260 9.302 1.00 0.00 C ATOM 182 CZ TYR A 17 8.233 -1.000 9.128 1.00 0.00 C ATOM 183 OH TYR A 17 9.564 -0.860 8.805 1.00 0.00 O ATOM 0 H TYR A 17 4.255 -2.034 7.341 1.00 0.00 H new ATOM 0 HA TYR A 17 2.113 -1.413 9.269 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.824 -0.709 10.900 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.924 -2.426 10.565 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.489 0.853 9.713 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.946 -3.384 9.758 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.862 1.104 9.136 1.00 0.00 H new ATOM 0 HE2 TYR A 17 8.322 -3.135 9.187 1.00 0.00 H new ATOM 0 HH TYR A 17 10.047 -1.678 9.046 1.00 0.00 H new ATOM 193 N GLY A 18 2.362 1.033 8.813 1.00 0.00 N ATOM 194 CA GLY A 18 2.387 2.409 8.351 1.00 0.00 C ATOM 195 C GLY A 18 1.018 3.058 8.387 1.00 0.00 C ATOM 196 O GLY A 18 -0.012 2.384 8.393 1.00 0.00 O ATOM 0 H GLY A 18 1.613 0.815 9.471 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.075 2.984 8.971 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.774 2.440 7.332 1.00 0.00 H new ATOM 200 N PRO A 19 0.995 4.399 8.414 1.00 0.00 N ATOM 201 CA PRO A 19 -0.252 5.168 8.452 1.00 0.00 C ATOM 202 C PRO A 19 -1.025 5.083 7.140 1.00 0.00 C ATOM 203 O PRO A 19 -2.170 5.526 7.053 1.00 0.00 O ATOM 204 CB PRO A 19 0.223 6.602 8.701 1.00 0.00 C ATOM 205 CG PRO A 19 1.614 6.637 8.169 1.00 0.00 C ATOM 206 CD PRO A 19 2.184 5.267 8.409 1.00 0.00 C ATOM 0 HA PRO A 19 -0.939 4.794 9.211 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.414 7.324 8.191 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.199 6.849 9.762 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.619 6.881 7.107 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.206 7.400 8.675 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.887 4.981 7.626 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.723 5.216 9.355 1.00 0.00 H new ATOM 214 N GLY A 20 -0.392 4.511 6.121 1.00 0.00 N ATOM 215 CA GLY A 20 -1.036 4.379 4.827 1.00 0.00 C ATOM 216 C GLY A 20 -2.038 3.242 4.792 1.00 0.00 C ATOM 217 O GLY A 20 -2.984 3.262 4.004 1.00 0.00 O ATOM 0 H GLY A 20 0.556 4.136 6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.541 5.312 4.579 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.277 4.214 4.062 1.00 0.00 H new ATOM 221 N LEU A 21 -1.830 2.246 5.646 1.00 0.00 N ATOM 222 CA LEU A 21 -2.721 1.093 5.709 1.00 0.00 C ATOM 223 C LEU A 21 -3.932 1.388 6.589 1.00 0.00 C ATOM 224 O LEU A 21 -5.066 1.083 6.222 1.00 0.00 O ATOM 225 CB LEU A 21 -1.972 -0.128 6.246 1.00 0.00 C ATOM 226 CG LEU A 21 -0.586 -0.380 5.650 1.00 0.00 C ATOM 227 CD1 LEU A 21 0.285 -1.148 6.632 1.00 0.00 C ATOM 228 CD2 LEU A 21 -0.701 -1.134 4.333 1.00 0.00 C ATOM 0 H LEU A 21 -1.052 2.214 6.305 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.071 0.881 4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.867 -0.019 7.325 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.586 -1.012 6.073 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.115 0.583 5.454 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.267 -1.318 6.191 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.394 -0.571 7.550 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.182 -2.106 6.860 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.295 -1.305 3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.192 -2.092 4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.288 -0.546 3.627 1.00 0.00 H new ATOM 240 N GLU A 22 -3.682 1.986 7.750 1.00 0.00 N ATOM 241 CA GLU A 22 -4.752 2.323 8.680 1.00 0.00 C ATOM 242 C GLU A 22 -5.471 3.596 8.244 1.00 0.00 C ATOM 243 O GLU A 22 -6.599 3.858 8.660 1.00 0.00 O ATOM 244 CB GLU A 22 -4.192 2.499 10.094 1.00 0.00 C ATOM 245 CG GLU A 22 -4.107 1.203 10.881 1.00 0.00 C ATOM 246 CD GLU A 22 -5.461 0.552 11.082 1.00 0.00 C ATOM 247 OE1 GLU A 22 -6.193 0.975 12.002 1.00 0.00 O ATOM 248 OE2 GLU A 22 -5.790 -0.381 10.319 1.00 0.00 O ATOM 0 H GLU A 22 -2.749 2.247 8.068 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.470 1.503 8.680 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.198 2.941 10.029 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.819 3.204 10.639 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.448 0.509 10.360 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.656 1.402 11.853 1.00 0.00 H new ATOM 255 N GLY A 23 -4.809 4.384 7.402 1.00 0.00 N ATOM 256 CA GLY A 23 -5.399 5.621 6.924 1.00 0.00 C ATOM 257 C GLY A 23 -4.712 6.848 7.488 1.00 0.00 C ATOM 258 O GLY A 23 -3.853 6.740 8.362 1.00 0.00 O ATOM 0 H GLY A 23 -3.875 4.188 7.042 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.347 5.648 5.836 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.455 5.644 7.193 1.00 0.00 H new ATOM 262 N GLY A 24 -5.089 8.020 6.985 1.00 0.00 N ATOM 263 CA GLY A 24 -4.492 9.256 7.456 1.00 0.00 C ATOM 264 C GLY A 24 -5.379 10.460 7.208 1.00 0.00 C ATOM 265 O GLY A 24 -6.514 10.513 7.682 1.00 0.00 O ATOM 0 H GLY A 24 -5.797 8.135 6.260 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.287 9.173 8.523 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.534 9.406 6.958 1.00 0.00 H new ATOM 269 N THR A 25 -4.860 11.432 6.464 1.00 0.00 N ATOM 270 CA THR A 25 -5.612 12.642 6.156 1.00 0.00 C ATOM 271 C THR A 25 -5.473 13.017 4.685 1.00 0.00 C ATOM 272 O THR A 25 -4.479 12.682 4.039 1.00 0.00 O ATOM 273 CB THR A 25 -5.145 13.828 7.022 1.00 0.00 C ATOM 274 OG1 THR A 25 -5.566 13.640 8.377 1.00 0.00 O ATOM 275 CG2 THR A 25 -5.704 15.139 6.489 1.00 0.00 C ATOM 0 H THR A 25 -3.922 11.405 6.064 1.00 0.00 H new ATOM 0 HA THR A 25 -6.658 12.429 6.376 1.00 0.00 H new ATOM 0 HB THR A 25 -4.057 13.872 6.983 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.441 13.199 8.389 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.361 15.962 7.116 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.358 15.293 5.467 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.793 15.102 6.502 1.00 0.00 H new ATOM 283 N THR A 26 -6.476 13.714 4.159 1.00 0.00 N ATOM 284 CA THR A 26 -6.465 14.133 2.763 1.00 0.00 C ATOM 285 C THR A 26 -5.345 15.132 2.497 1.00 0.00 C ATOM 286 O THR A 26 -4.980 15.917 3.371 1.00 0.00 O ATOM 287 CB THR A 26 -7.809 14.767 2.358 1.00 0.00 C ATOM 288 OG1 THR A 26 -8.237 15.694 3.362 1.00 0.00 O ATOM 289 CG2 THR A 26 -8.874 13.699 2.160 1.00 0.00 C ATOM 0 H THR A 26 -7.306 14.000 4.679 1.00 0.00 H new ATOM 0 HA THR A 26 -6.298 13.237 2.165 1.00 0.00 H new ATOM 0 HB THR A 26 -7.666 15.294 1.415 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.080 16.110 3.085 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.814 14.171 1.875 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.559 13.013 1.374 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.013 13.147 3.090 1.00 0.00 H new ATOM 297 N GLY A 27 -4.802 15.096 1.284 1.00 0.00 N ATOM 298 CA GLY A 27 -3.728 16.004 0.925 1.00 0.00 C ATOM 299 C GLY A 27 -2.427 15.670 1.627 1.00 0.00 C ATOM 300 O GLY A 27 -1.443 16.399 1.507 1.00 0.00 O ATOM 0 H GLY A 27 -5.086 14.455 0.544 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.574 15.971 -0.154 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.020 17.024 1.174 1.00 0.00 H new ATOM 304 N VAL A 28 -2.422 14.564 2.365 1.00 0.00 N ATOM 305 CA VAL A 28 -1.232 14.134 3.090 1.00 0.00 C ATOM 306 C VAL A 28 -0.661 12.851 2.497 1.00 0.00 C ATOM 307 O VAL A 28 -1.339 11.826 2.440 1.00 0.00 O ATOM 308 CB VAL A 28 -1.536 13.907 4.583 1.00 0.00 C ATOM 309 CG1 VAL A 28 -0.372 13.204 5.264 1.00 0.00 C ATOM 310 CG2 VAL A 28 -1.849 15.227 5.270 1.00 0.00 C ATOM 0 H VAL A 28 -3.229 13.950 2.476 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.497 14.933 2.994 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.414 13.266 4.664 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.605 13.052 6.318 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.201 12.239 4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.525 13.817 5.175 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.061 15.047 6.324 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.993 15.895 5.181 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.718 15.686 4.798 1.00 0.00 H new ATOM 320 N SER A 29 0.592 12.915 2.058 1.00 0.00 N ATOM 321 CA SER A 29 1.255 11.759 1.466 1.00 0.00 C ATOM 322 C SER A 29 1.386 10.629 2.483 1.00 0.00 C ATOM 323 O SER A 29 2.214 10.689 3.391 1.00 0.00 O ATOM 324 CB SER A 29 2.637 12.150 0.941 1.00 0.00 C ATOM 325 OG SER A 29 2.546 12.740 -0.345 1.00 0.00 O ATOM 0 H SER A 29 1.169 13.755 2.101 1.00 0.00 H new ATOM 0 HA SER A 29 0.645 11.408 0.634 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.108 12.849 1.633 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.275 11.268 0.895 1.00 0.00 H new ATOM 0 HG SER A 29 1.783 12.358 -0.827 1.00 0.00 H new ATOM 331 N SER A 30 0.561 9.599 2.322 1.00 0.00 N ATOM 332 CA SER A 30 0.581 8.456 3.228 1.00 0.00 C ATOM 333 C SER A 30 1.388 7.306 2.633 1.00 0.00 C ATOM 334 O SER A 30 1.271 7.000 1.447 1.00 0.00 O ATOM 335 CB SER A 30 -0.845 7.991 3.528 1.00 0.00 C ATOM 336 OG SER A 30 -1.616 9.040 4.088 1.00 0.00 O ATOM 0 H SER A 30 -0.129 9.532 1.574 1.00 0.00 H new ATOM 0 HA SER A 30 1.057 8.769 4.158 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.317 7.639 2.611 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.818 7.147 4.217 1.00 0.00 H new ATOM 0 HG SER A 30 -2.524 8.718 4.269 1.00 0.00 H new ATOM 342 N GLU A 31 2.207 6.672 3.467 1.00 0.00 N ATOM 343 CA GLU A 31 3.035 5.557 3.023 1.00 0.00 C ATOM 344 C GLU A 31 3.077 4.457 4.080 1.00 0.00 C ATOM 345 O GLU A 31 2.606 4.641 5.203 1.00 0.00 O ATOM 346 CB GLU A 31 4.454 6.037 2.714 1.00 0.00 C ATOM 347 CG GLU A 31 5.251 6.415 3.951 1.00 0.00 C ATOM 348 CD GLU A 31 6.735 6.553 3.670 1.00 0.00 C ATOM 349 OE1 GLU A 31 7.377 5.528 3.358 1.00 0.00 O ATOM 350 OE2 GLU A 31 7.254 7.685 3.760 1.00 0.00 O ATOM 0 H GLU A 31 2.315 6.911 4.453 1.00 0.00 H new ATOM 0 HA GLU A 31 2.592 5.148 2.115 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.985 5.252 2.176 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.400 6.899 2.049 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.872 7.356 4.349 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.100 5.659 4.721 1.00 0.00 H new ATOM 357 N PHE A 32 3.643 3.312 3.712 1.00 0.00 N ATOM 358 CA PHE A 32 3.746 2.181 4.627 1.00 0.00 C ATOM 359 C PHE A 32 4.884 1.252 4.217 1.00 0.00 C ATOM 360 O PHE A 32 5.163 1.080 3.030 1.00 0.00 O ATOM 361 CB PHE A 32 2.427 1.406 4.662 1.00 0.00 C ATOM 362 CG PHE A 32 1.993 0.899 3.316 1.00 0.00 C ATOM 363 CD1 PHE A 32 2.579 -0.228 2.763 1.00 0.00 C ATOM 364 CD2 PHE A 32 0.999 1.551 2.604 1.00 0.00 C ATOM 365 CE1 PHE A 32 2.181 -0.696 1.525 1.00 0.00 C ATOM 366 CE2 PHE A 32 0.597 1.087 1.366 1.00 0.00 C ATOM 367 CZ PHE A 32 1.190 -0.037 0.825 1.00 0.00 C ATOM 0 H PHE A 32 4.037 3.143 2.787 1.00 0.00 H new ATOM 0 HA PHE A 32 3.959 2.569 5.623 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.529 0.562 5.344 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.647 2.050 5.067 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.356 -0.747 3.305 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.533 2.432 3.021 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.645 -1.576 1.105 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.180 1.603 0.822 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.879 -0.400 -0.144 1.00 0.00 H new ATOM 377 N ILE A 33 5.539 0.656 5.208 1.00 0.00 N ATOM 378 CA ILE A 33 6.647 -0.256 4.952 1.00 0.00 C ATOM 379 C ILE A 33 6.203 -1.710 5.079 1.00 0.00 C ATOM 380 O ILE A 33 5.455 -2.064 5.991 1.00 0.00 O ATOM 381 CB ILE A 33 7.820 -0.002 5.917 1.00 0.00 C ATOM 382 CG1 ILE A 33 8.534 1.301 5.554 1.00 0.00 C ATOM 383 CG2 ILE A 33 8.793 -1.172 5.887 1.00 0.00 C ATOM 384 CD1 ILE A 33 9.766 1.568 6.390 1.00 0.00 C ATOM 0 H ILE A 33 5.321 0.788 6.196 1.00 0.00 H new ATOM 0 HA ILE A 33 6.981 -0.069 3.931 1.00 0.00 H new ATOM 0 HB ILE A 33 7.426 0.092 6.929 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.818 1.269 4.502 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.838 2.132 5.671 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.617 -0.978 6.574 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.276 -2.083 6.188 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.184 -1.294 4.877 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.221 2.508 6.078 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.485 1.632 7.441 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.481 0.756 6.254 1.00 0.00 H new ATOM 396 N VAL A 34 6.672 -2.548 4.161 1.00 0.00 N ATOM 397 CA VAL A 34 6.326 -3.965 4.172 1.00 0.00 C ATOM 398 C VAL A 34 7.533 -4.822 4.535 1.00 0.00 C ATOM 399 O VAL A 34 8.449 -4.995 3.732 1.00 0.00 O ATOM 400 CB VAL A 34 5.780 -4.420 2.806 1.00 0.00 C ATOM 401 CG1 VAL A 34 5.218 -5.831 2.898 1.00 0.00 C ATOM 402 CG2 VAL A 34 4.723 -3.448 2.304 1.00 0.00 C ATOM 0 H VAL A 34 7.292 -2.271 3.400 1.00 0.00 H new ATOM 0 HA VAL A 34 5.551 -4.096 4.927 1.00 0.00 H new ATOM 0 HB VAL A 34 6.602 -4.428 2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.837 -6.135 1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.006 -6.517 3.210 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.408 -5.853 3.627 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.348 -3.785 1.338 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.900 -3.405 3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.162 -2.456 2.197 1.00 0.00 H new ATOM 412 N ASN A 35 7.527 -5.357 5.752 1.00 0.00 N ATOM 413 CA ASN A 35 8.622 -6.197 6.223 1.00 0.00 C ATOM 414 C ASN A 35 8.552 -7.586 5.595 1.00 0.00 C ATOM 415 O ASN A 35 7.813 -8.454 6.060 1.00 0.00 O ATOM 416 CB ASN A 35 8.584 -6.313 7.748 1.00 0.00 C ATOM 417 CG ASN A 35 9.526 -7.381 8.271 1.00 0.00 C ATOM 418 OD1 ASN A 35 9.094 -8.455 8.688 1.00 0.00 O ATOM 419 ND2 ASN A 35 10.821 -7.089 8.250 1.00 0.00 N ATOM 0 H ASN A 35 6.776 -5.224 6.429 1.00 0.00 H new ATOM 0 HA ASN A 35 9.560 -5.729 5.924 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.848 -5.352 8.189 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.567 -6.542 8.067 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.503 -7.768 8.589 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.134 -6.185 7.895 1.00 0.00 H new ATOM 426 N THR A 36 9.328 -7.789 4.534 1.00 0.00 N ATOM 427 CA THR A 36 9.353 -9.071 3.841 1.00 0.00 C ATOM 428 C THR A 36 10.639 -9.833 4.142 1.00 0.00 C ATOM 429 O THR A 36 10.814 -10.972 3.707 1.00 0.00 O ATOM 430 CB THR A 36 9.223 -8.889 2.317 1.00 0.00 C ATOM 431 OG1 THR A 36 10.069 -7.819 1.878 1.00 0.00 O ATOM 432 CG2 THR A 36 7.782 -8.595 1.928 1.00 0.00 C ATOM 0 H THR A 36 9.947 -7.082 4.137 1.00 0.00 H new ATOM 0 HA THR A 36 8.500 -9.644 4.205 1.00 0.00 H new ATOM 0 HB THR A 36 9.531 -9.817 1.835 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.107 -7.812 0.899 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.715 -8.470 0.847 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.145 -9.424 2.238 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.452 -7.680 2.420 1.00 0.00 H new ATOM 440 N LEU A 37 11.535 -9.199 4.890 1.00 0.00 N ATOM 441 CA LEU A 37 12.806 -9.819 5.251 1.00 0.00 C ATOM 442 C LEU A 37 12.581 -11.141 5.976 1.00 0.00 C ATOM 443 O LEU A 37 13.213 -12.149 5.662 1.00 0.00 O ATOM 444 CB LEU A 37 13.624 -8.873 6.132 1.00 0.00 C ATOM 445 CG LEU A 37 13.791 -7.445 5.611 1.00 0.00 C ATOM 446 CD1 LEU A 37 14.179 -6.506 6.743 1.00 0.00 C ATOM 447 CD2 LEU A 37 14.828 -7.401 4.499 1.00 0.00 C ATOM 0 H LEU A 37 11.406 -8.257 5.258 1.00 0.00 H new ATOM 0 HA LEU A 37 13.358 -10.020 4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.154 -8.827 7.115 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.615 -9.305 6.272 1.00 0.00 H new ATOM 0 HG LEU A 37 12.836 -7.113 5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.293 -5.494 6.354 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.401 -6.515 7.506 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.121 -6.835 7.182 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.934 -6.377 4.140 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.786 -7.752 4.881 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.508 -8.042 3.678 1.00 0.00 H new ATOM 459 N ASN A 38 11.673 -11.130 6.948 1.00 0.00 N ATOM 460 CA ASN A 38 11.363 -12.330 7.717 1.00 0.00 C ATOM 461 C ASN A 38 10.969 -13.480 6.796 1.00 0.00 C ATOM 462 O ASN A 38 11.279 -14.640 7.066 1.00 0.00 O ATOM 463 CB ASN A 38 10.233 -12.047 8.709 1.00 0.00 C ATOM 464 CG ASN A 38 10.747 -11.512 10.032 1.00 0.00 C ATOM 465 OD1 ASN A 38 10.209 -11.829 11.093 1.00 0.00 O ATOM 466 ND2 ASN A 38 11.793 -10.696 9.975 1.00 0.00 N ATOM 0 H ASN A 38 11.140 -10.304 7.221 1.00 0.00 H new ATOM 0 HA ASN A 38 12.258 -12.619 8.268 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.542 -11.326 8.272 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.669 -12.963 8.885 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.182 -10.305 10.833 1.00 0.00 H new ATOM 0 HD22 ASN A 38 12.207 -10.460 9.073 1.00 0.00 H new ATOM 473 N ALA A 39 10.284 -13.150 5.705 1.00 0.00 N ATOM 474 CA ALA A 39 9.850 -14.155 4.743 1.00 0.00 C ATOM 475 C ALA A 39 11.044 -14.803 4.049 1.00 0.00 C ATOM 476 O ALA A 39 11.221 -16.018 4.105 1.00 0.00 O ATOM 477 CB ALA A 39 8.915 -13.532 3.716 1.00 0.00 C ATOM 0 H ALA A 39 10.018 -12.195 5.466 1.00 0.00 H new ATOM 0 HA ALA A 39 9.312 -14.933 5.285 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.598 -14.293 3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.041 -13.122 4.221 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.436 -12.734 3.187 1.00 0.00 H new ATOM 483 N GLY A 40 11.859 -13.981 3.395 1.00 0.00 N ATOM 484 CA GLY A 40 13.025 -14.494 2.699 1.00 0.00 C ATOM 485 C GLY A 40 13.284 -13.771 1.391 1.00 0.00 C ATOM 486 O GLY A 40 14.277 -13.058 1.254 1.00 0.00 O ATOM 0 H GLY A 40 11.733 -12.971 3.335 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.900 -14.399 3.343 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.888 -15.557 2.502 1.00 0.00 H new ATOM 490 N SER A 41 12.389 -13.958 0.427 1.00 0.00 N ATOM 491 CA SER A 41 12.527 -13.323 -0.878 1.00 0.00 C ATOM 492 C SER A 41 11.296 -13.581 -1.742 1.00 0.00 C ATOM 493 O SER A 41 10.611 -14.590 -1.580 1.00 0.00 O ATOM 494 CB SER A 41 13.780 -13.839 -1.589 1.00 0.00 C ATOM 495 OG SER A 41 13.561 -15.127 -2.137 1.00 0.00 O ATOM 0 H SER A 41 11.560 -14.544 0.525 1.00 0.00 H new ATOM 0 HA SER A 41 12.621 -12.248 -0.723 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.063 -13.146 -2.382 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.612 -13.876 -0.886 1.00 0.00 H new ATOM 0 HG SER A 41 14.376 -15.434 -2.587 1.00 0.00 H new ATOM 501 N GLY A 42 11.022 -12.660 -2.661 1.00 0.00 N ATOM 502 CA GLY A 42 9.874 -12.805 -3.537 1.00 0.00 C ATOM 503 C GLY A 42 9.341 -11.470 -4.019 1.00 0.00 C ATOM 504 O GLY A 42 9.769 -10.417 -3.549 1.00 0.00 O ATOM 0 H GLY A 42 11.574 -11.816 -2.814 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.152 -13.414 -4.397 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.084 -13.340 -3.010 1.00 0.00 H new ATOM 508 N ALA A 43 8.405 -11.515 -4.961 1.00 0.00 N ATOM 509 CA ALA A 43 7.812 -10.300 -5.508 1.00 0.00 C ATOM 510 C ALA A 43 6.638 -9.831 -4.655 1.00 0.00 C ATOM 511 O ALA A 43 6.077 -10.601 -3.875 1.00 0.00 O ATOM 512 CB ALA A 43 7.366 -10.530 -6.944 1.00 0.00 C ATOM 0 H ALA A 43 8.041 -12.379 -5.362 1.00 0.00 H new ATOM 0 HA ALA A 43 8.571 -9.518 -5.497 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.925 -9.615 -7.339 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.226 -10.810 -7.552 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.626 -11.330 -6.972 1.00 0.00 H new ATOM 518 N LEU A 44 6.272 -8.563 -4.808 1.00 0.00 N ATOM 519 CA LEU A 44 5.164 -7.990 -4.052 1.00 0.00 C ATOM 520 C LEU A 44 4.173 -7.294 -4.979 1.00 0.00 C ATOM 521 O LEU A 44 4.566 -6.652 -5.954 1.00 0.00 O ATOM 522 CB LEU A 44 5.690 -6.999 -3.012 1.00 0.00 C ATOM 523 CG LEU A 44 4.633 -6.172 -2.278 1.00 0.00 C ATOM 524 CD1 LEU A 44 3.910 -7.024 -1.246 1.00 0.00 C ATOM 525 CD2 LEU A 44 5.269 -4.957 -1.618 1.00 0.00 C ATOM 0 H LEU A 44 6.726 -7.912 -5.449 1.00 0.00 H new ATOM 0 HA LEU A 44 4.646 -8.802 -3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.268 -7.552 -2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.379 -6.314 -3.507 1.00 0.00 H new ATOM 0 HG LEU A 44 3.902 -5.823 -3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.162 -6.419 -0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.421 -7.861 -1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.629 -7.404 -0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.502 -4.381 -1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.022 -5.285 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.739 -4.334 -2.379 1.00 0.00 H new ATOM 537 N SER A 45 2.888 -7.423 -4.668 1.00 0.00 N ATOM 538 CA SER A 45 1.840 -6.808 -5.475 1.00 0.00 C ATOM 539 C SER A 45 1.005 -5.844 -4.637 1.00 0.00 C ATOM 540 O SER A 45 0.351 -6.246 -3.675 1.00 0.00 O ATOM 541 CB SER A 45 0.939 -7.883 -6.085 1.00 0.00 C ATOM 542 OG SER A 45 1.533 -8.450 -7.241 1.00 0.00 O ATOM 0 H SER A 45 2.547 -7.948 -3.863 1.00 0.00 H new ATOM 0 HA SER A 45 2.317 -6.246 -6.278 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.750 -8.664 -5.349 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.027 -7.449 -6.344 1.00 0.00 H new ATOM 0 HG SER A 45 0.939 -9.136 -7.611 1.00 0.00 H new ATOM 548 N VAL A 46 1.033 -4.569 -5.010 1.00 0.00 N ATOM 549 CA VAL A 46 0.279 -3.546 -4.295 1.00 0.00 C ATOM 550 C VAL A 46 -0.773 -2.909 -5.196 1.00 0.00 C ATOM 551 O VAL A 46 -0.566 -2.756 -6.401 1.00 0.00 O ATOM 552 CB VAL A 46 1.206 -2.444 -3.749 1.00 0.00 C ATOM 553 CG1 VAL A 46 0.430 -1.488 -2.855 1.00 0.00 C ATOM 554 CG2 VAL A 46 2.377 -3.058 -2.996 1.00 0.00 C ATOM 0 H VAL A 46 1.570 -4.219 -5.804 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.214 -4.042 -3.459 1.00 0.00 H new ATOM 0 HB VAL A 46 1.602 -1.876 -4.591 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.101 -0.716 -2.478 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.372 -1.023 -3.429 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.004 -2.039 -2.017 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.022 -2.265 -2.617 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.002 -3.651 -2.162 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.947 -3.698 -3.669 1.00 0.00 H new ATOM 564 N THR A 47 -1.904 -2.538 -4.605 1.00 0.00 N ATOM 565 CA THR A 47 -2.990 -1.917 -5.353 1.00 0.00 C ATOM 566 C THR A 47 -3.946 -1.177 -4.424 1.00 0.00 C ATOM 567 O THR A 47 -4.308 -1.681 -3.361 1.00 0.00 O ATOM 568 CB THR A 47 -3.784 -2.962 -6.160 1.00 0.00 C ATOM 569 OG1 THR A 47 -3.867 -4.188 -5.427 1.00 0.00 O ATOM 570 CG2 THR A 47 -3.128 -3.215 -7.509 1.00 0.00 C ATOM 0 H THR A 47 -2.092 -2.657 -3.610 1.00 0.00 H new ATOM 0 HA THR A 47 -2.533 -1.206 -6.041 1.00 0.00 H new ATOM 0 HB THR A 47 -4.788 -2.572 -6.329 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.375 -4.846 -5.946 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.706 -3.956 -8.061 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.093 -2.285 -8.077 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.114 -3.585 -7.357 1.00 0.00 H new ATOM 578 N ILE A 48 -4.350 0.021 -4.832 1.00 0.00 N ATOM 579 CA ILE A 48 -5.265 0.830 -4.036 1.00 0.00 C ATOM 580 C ILE A 48 -6.556 1.110 -4.798 1.00 0.00 C ATOM 581 O ILE A 48 -6.539 1.328 -6.009 1.00 0.00 O ATOM 582 CB ILE A 48 -4.623 2.168 -3.627 1.00 0.00 C ATOM 583 CG1 ILE A 48 -3.243 1.930 -3.011 1.00 0.00 C ATOM 584 CG2 ILE A 48 -5.524 2.911 -2.651 1.00 0.00 C ATOM 585 CD1 ILE A 48 -2.607 3.183 -2.450 1.00 0.00 C ATOM 0 H ILE A 48 -4.058 0.453 -5.709 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.493 0.257 -3.138 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.500 2.783 -4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.332 1.190 -2.216 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.584 1.506 -3.769 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.057 3.855 -2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.487 3.108 -3.123 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.675 2.302 -1.759 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.631 2.939 -2.030 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.486 3.917 -3.246 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.245 3.597 -1.669 1.00 0.00 H new ATOM 597 N ASP A 49 -7.674 1.103 -4.079 1.00 0.00 N ATOM 598 CA ASP A 49 -8.975 1.359 -4.687 1.00 0.00 C ATOM 599 C ASP A 49 -9.853 2.193 -3.759 1.00 0.00 C ATOM 600 O ASP A 49 -10.287 1.721 -2.708 1.00 0.00 O ATOM 601 CB ASP A 49 -9.673 0.041 -5.023 1.00 0.00 C ATOM 602 CG ASP A 49 -10.668 0.185 -6.158 1.00 0.00 C ATOM 603 OD1 ASP A 49 -10.259 0.035 -7.328 1.00 0.00 O ATOM 604 OD2 ASP A 49 -11.855 0.447 -5.875 1.00 0.00 O ATOM 0 H ASP A 49 -7.705 0.923 -3.075 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.815 1.920 -5.608 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.925 -0.705 -5.292 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.188 -0.330 -4.137 1.00 0.00 H new ATOM 609 N GLY A 50 -10.110 3.436 -4.154 1.00 0.00 N ATOM 610 CA GLY A 50 -10.935 4.315 -3.346 1.00 0.00 C ATOM 611 C GLY A 50 -11.913 5.120 -4.178 1.00 0.00 C ATOM 612 O GLY A 50 -12.133 4.842 -5.357 1.00 0.00 O ATOM 0 H GLY A 50 -9.762 3.850 -5.019 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.486 3.722 -2.616 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.294 4.995 -2.785 1.00 0.00 H new ATOM 616 N PRO A 51 -12.520 6.144 -3.559 1.00 0.00 N ATOM 617 CA PRO A 51 -13.491 7.012 -4.232 1.00 0.00 C ATOM 618 C PRO A 51 -12.840 7.905 -5.282 1.00 0.00 C ATOM 619 O PRO A 51 -13.519 8.457 -6.148 1.00 0.00 O ATOM 620 CB PRO A 51 -14.062 7.857 -3.091 1.00 0.00 C ATOM 621 CG PRO A 51 -12.992 7.867 -2.055 1.00 0.00 C ATOM 622 CD PRO A 51 -12.305 6.533 -2.155 1.00 0.00 C ATOM 0 HA PRO A 51 -14.243 6.439 -4.774 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.298 8.867 -3.426 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -14.985 7.426 -2.703 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.289 8.682 -2.228 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.413 8.015 -1.061 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.244 6.608 -1.917 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.736 5.806 -1.466 1.00 0.00 H new ATOM 630 N SER A 52 -11.521 8.043 -5.200 1.00 0.00 N ATOM 631 CA SER A 52 -10.778 8.872 -6.141 1.00 0.00 C ATOM 632 C SER A 52 -9.375 8.317 -6.366 1.00 0.00 C ATOM 633 O SER A 52 -8.584 8.199 -5.430 1.00 0.00 O ATOM 634 CB SER A 52 -10.693 10.312 -5.629 1.00 0.00 C ATOM 635 OG SER A 52 -10.470 11.220 -6.694 1.00 0.00 O ATOM 0 H SER A 52 -10.944 7.591 -4.491 1.00 0.00 H new ATOM 0 HA SER A 52 -11.310 8.863 -7.092 1.00 0.00 H new ATOM 0 HB2 SER A 52 -11.617 10.573 -5.112 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.886 10.395 -4.901 1.00 0.00 H new ATOM 0 HG SER A 52 -10.421 12.133 -6.341 1.00 0.00 H new ATOM 641 N LYS A 53 -9.074 7.977 -7.615 1.00 0.00 N ATOM 642 CA LYS A 53 -7.767 7.434 -7.966 1.00 0.00 C ATOM 643 C LYS A 53 -6.669 8.064 -7.113 1.00 0.00 C ATOM 644 O LYS A 53 -6.754 9.234 -6.741 1.00 0.00 O ATOM 645 CB LYS A 53 -7.475 7.672 -9.449 1.00 0.00 C ATOM 646 CG LYS A 53 -7.126 9.114 -9.777 1.00 0.00 C ATOM 647 CD LYS A 53 -6.164 9.202 -10.950 1.00 0.00 C ATOM 648 CE LYS A 53 -4.716 9.213 -10.484 1.00 0.00 C ATOM 649 NZ LYS A 53 -4.231 10.594 -10.214 1.00 0.00 N ATOM 0 H LYS A 53 -9.718 8.068 -8.401 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.783 6.361 -7.772 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.650 7.029 -9.756 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.346 7.376 -10.034 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.037 9.666 -10.010 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.680 9.589 -8.903 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.326 8.357 -11.619 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.370 10.106 -11.524 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.621 8.611 -9.580 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.087 8.749 -11.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.241 10.559 -9.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.298 11.161 -11.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.815 11.028 -9.471 1.00 0.00 H new ATOM 663 N VAL A 54 -5.640 7.281 -6.809 1.00 0.00 N ATOM 664 CA VAL A 54 -4.524 7.763 -6.003 1.00 0.00 C ATOM 665 C VAL A 54 -3.190 7.475 -6.682 1.00 0.00 C ATOM 666 O VAL A 54 -2.956 6.367 -7.166 1.00 0.00 O ATOM 667 CB VAL A 54 -4.524 7.120 -4.603 1.00 0.00 C ATOM 668 CG1 VAL A 54 -5.535 7.808 -3.699 1.00 0.00 C ATOM 669 CG2 VAL A 54 -4.813 5.629 -4.702 1.00 0.00 C ATOM 0 H VAL A 54 -5.555 6.310 -7.108 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.651 8.841 -5.900 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.535 7.247 -4.164 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.521 7.340 -2.715 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.279 8.863 -3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.532 7.715 -4.130 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.809 5.191 -3.704 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.790 5.477 -5.161 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.047 5.150 -5.312 1.00 0.00 H new ATOM 679 N GLN A 55 -2.320 8.478 -6.714 1.00 0.00 N ATOM 680 CA GLN A 55 -1.008 8.332 -7.335 1.00 0.00 C ATOM 681 C GLN A 55 -0.002 7.746 -6.350 1.00 0.00 C ATOM 682 O GLN A 55 0.714 8.480 -5.668 1.00 0.00 O ATOM 683 CB GLN A 55 -0.510 9.685 -7.847 1.00 0.00 C ATOM 684 CG GLN A 55 0.567 9.571 -8.914 1.00 0.00 C ATOM 685 CD GLN A 55 1.123 10.920 -9.328 1.00 0.00 C ATOM 686 OE1 GLN A 55 0.937 11.920 -8.634 1.00 0.00 O ATOM 687 NE2 GLN A 55 1.810 10.954 -10.463 1.00 0.00 N ATOM 0 H GLN A 55 -2.499 9.401 -6.318 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.106 7.646 -8.177 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.354 10.244 -8.252 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.119 10.261 -7.008 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.379 8.947 -8.540 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.155 9.068 -9.789 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.940 10.101 -11.006 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.208 11.833 -10.792 1.00 0.00 H new ATOM 696 N LEU A 56 0.046 6.420 -6.281 1.00 0.00 N ATOM 697 CA LEU A 56 0.965 5.734 -5.378 1.00 0.00 C ATOM 698 C LEU A 56 2.346 5.595 -6.011 1.00 0.00 C ATOM 699 O LEU A 56 2.497 5.706 -7.227 1.00 0.00 O ATOM 700 CB LEU A 56 0.417 4.354 -5.013 1.00 0.00 C ATOM 701 CG LEU A 56 0.382 3.325 -6.144 1.00 0.00 C ATOM 702 CD1 LEU A 56 1.713 2.598 -6.245 1.00 0.00 C ATOM 703 CD2 LEU A 56 -0.754 2.335 -5.929 1.00 0.00 C ATOM 0 H LEU A 56 -0.540 5.799 -6.839 1.00 0.00 H new ATOM 0 HA LEU A 56 1.059 6.331 -4.471 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.019 3.950 -4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.596 4.477 -4.629 1.00 0.00 H new ATOM 0 HG LEU A 56 0.207 3.851 -7.083 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.669 1.870 -7.055 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.506 3.318 -6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.919 2.084 -5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.764 1.610 -6.743 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.609 1.815 -4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.704 2.870 -5.908 1.00 0.00 H new ATOM 715 N ASP A 57 3.350 5.349 -5.177 1.00 0.00 N ATOM 716 CA ASP A 57 4.719 5.190 -5.654 1.00 0.00 C ATOM 717 C ASP A 57 5.477 4.174 -4.805 1.00 0.00 C ATOM 718 O ASP A 57 5.844 4.455 -3.663 1.00 0.00 O ATOM 719 CB ASP A 57 5.448 6.535 -5.633 1.00 0.00 C ATOM 720 CG ASP A 57 6.533 6.622 -6.689 1.00 0.00 C ATOM 721 OD1 ASP A 57 6.219 7.019 -7.830 1.00 0.00 O ATOM 722 OD2 ASP A 57 7.695 6.291 -6.374 1.00 0.00 O ATOM 0 H ASP A 57 3.242 5.255 -4.167 1.00 0.00 H new ATOM 0 HA ASP A 57 4.679 4.822 -6.679 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.728 7.338 -5.789 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.890 6.690 -4.649 1.00 0.00 H new ATOM 727 N CYS A 58 5.706 2.994 -5.368 1.00 0.00 N ATOM 728 CA CYS A 58 6.418 1.934 -4.662 1.00 0.00 C ATOM 729 C CYS A 58 7.914 1.999 -4.952 1.00 0.00 C ATOM 730 O CYS A 58 8.332 2.008 -6.110 1.00 0.00 O ATOM 731 CB CYS A 58 5.867 0.565 -5.064 1.00 0.00 C ATOM 732 SG CYS A 58 6.165 0.128 -6.793 1.00 0.00 S ATOM 0 H CYS A 58 5.409 2.746 -6.312 1.00 0.00 H new ATOM 0 HA CYS A 58 6.267 2.078 -3.592 1.00 0.00 H new ATOM 0 HB2 CYS A 58 6.315 -0.197 -4.426 1.00 0.00 H new ATOM 0 HB3 CYS A 58 4.793 0.548 -4.876 1.00 0.00 H new ATOM 0 HG CYS A 58 7.219 0.755 -7.223 1.00 0.00 H new ATOM 738 N ARG A 59 8.715 2.044 -3.892 1.00 0.00 N ATOM 739 CA ARG A 59 10.165 2.110 -4.033 1.00 0.00 C ATOM 740 C ARG A 59 10.846 1.092 -3.123 1.00 0.00 C ATOM 741 O ARG A 59 10.196 0.446 -2.302 1.00 0.00 O ATOM 742 CB ARG A 59 10.666 3.518 -3.706 1.00 0.00 C ATOM 743 CG ARG A 59 10.052 4.106 -2.446 1.00 0.00 C ATOM 744 CD ARG A 59 9.925 5.618 -2.542 1.00 0.00 C ATOM 745 NE ARG A 59 9.294 6.191 -1.356 1.00 0.00 N ATOM 746 CZ ARG A 59 9.469 7.448 -0.965 1.00 0.00 C ATOM 747 NH1 ARG A 59 10.251 8.260 -1.662 1.00 0.00 N ATOM 748 NH2 ARG A 59 8.860 7.896 0.126 1.00 0.00 N ATOM 0 H ARG A 59 8.385 2.036 -2.927 1.00 0.00 H new ATOM 0 HA ARG A 59 10.416 1.873 -5.067 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.750 3.492 -3.594 1.00 0.00 H new ATOM 0 HB3 ARG A 59 10.449 4.176 -4.547 1.00 0.00 H new ATOM 0 HG2 ARG A 59 9.068 3.667 -2.280 1.00 0.00 H new ATOM 0 HG3 ARG A 59 10.667 3.845 -1.584 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.914 6.057 -2.674 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.340 5.877 -3.425 1.00 0.00 H new ATOM 0 HE ARG A 59 8.685 5.593 -0.797 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.720 7.920 -2.501 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.383 9.225 -1.359 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.257 7.275 0.665 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.995 8.862 0.425 1.00 0.00 H new ATOM 762 N GLU A 60 12.159 0.954 -3.276 1.00 0.00 N ATOM 763 CA GLU A 60 12.928 0.014 -2.470 1.00 0.00 C ATOM 764 C GLU A 60 13.259 0.611 -1.105 1.00 0.00 C ATOM 765 O GLU A 60 13.531 1.807 -0.989 1.00 0.00 O ATOM 766 CB GLU A 60 14.217 -0.379 -3.194 1.00 0.00 C ATOM 767 CG GLU A 60 14.011 -1.414 -4.287 1.00 0.00 C ATOM 768 CD GLU A 60 15.253 -2.243 -4.548 1.00 0.00 C ATOM 769 OE1 GLU A 60 16.360 -1.666 -4.561 1.00 0.00 O ATOM 770 OE2 GLU A 60 15.118 -3.470 -4.739 1.00 0.00 O ATOM 0 H GLU A 60 12.712 1.482 -3.951 1.00 0.00 H new ATOM 0 HA GLU A 60 12.319 -0.878 -2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.665 0.514 -3.631 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.928 -0.769 -2.466 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.190 -2.074 -4.007 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.715 -0.911 -5.207 1.00 0.00 H new ATOM 777 N CYS A 61 13.235 -0.228 -0.077 1.00 0.00 N ATOM 778 CA CYS A 61 13.532 0.216 1.281 1.00 0.00 C ATOM 779 C CYS A 61 14.360 -0.826 2.025 1.00 0.00 C ATOM 780 O CYS A 61 14.349 -2.013 1.699 1.00 0.00 O ATOM 781 CB CYS A 61 12.235 0.495 2.043 1.00 0.00 C ATOM 782 SG CYS A 61 10.955 -0.759 1.805 1.00 0.00 S ATOM 0 H CYS A 61 13.013 -1.220 -0.157 1.00 0.00 H new ATOM 0 HA CYS A 61 14.113 1.136 1.218 1.00 0.00 H new ATOM 0 HB2 CYS A 61 12.460 0.571 3.107 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.843 1.463 1.730 1.00 0.00 H new ATOM 0 HG CYS A 61 9.914 -0.458 2.523 1.00 0.00 H new ATOM 788 N PRO A 62 15.098 -0.373 3.050 1.00 0.00 N ATOM 789 CA PRO A 62 15.947 -1.250 3.862 1.00 0.00 C ATOM 790 C PRO A 62 15.133 -2.197 4.738 1.00 0.00 C ATOM 791 O PRO A 62 15.691 -2.986 5.499 1.00 0.00 O ATOM 792 CB PRO A 62 16.742 -0.271 4.728 1.00 0.00 C ATOM 793 CG PRO A 62 15.885 0.945 4.810 1.00 0.00 C ATOM 794 CD PRO A 62 15.159 1.029 3.495 1.00 0.00 C ATOM 0 HA PRO A 62 16.570 -1.898 3.246 1.00 0.00 H new ATOM 0 HB2 PRO A 62 16.937 -0.686 5.717 1.00 0.00 H new ATOM 0 HB3 PRO A 62 17.710 -0.044 4.282 1.00 0.00 H new ATOM 0 HG2 PRO A 62 15.182 0.872 5.640 1.00 0.00 H new ATOM 0 HG3 PRO A 62 16.488 1.837 4.981 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.164 1.457 3.612 1.00 0.00 H new ATOM 0 HD3 PRO A 62 15.693 1.655 2.780 1.00 0.00 H new ATOM 802 N GLU A 63 13.811 -2.111 4.624 1.00 0.00 N ATOM 803 CA GLU A 63 12.921 -2.961 5.407 1.00 0.00 C ATOM 804 C GLU A 63 12.084 -3.856 4.498 1.00 0.00 C ATOM 805 O GLU A 63 11.214 -4.591 4.962 1.00 0.00 O ATOM 806 CB GLU A 63 12.004 -2.106 6.284 1.00 0.00 C ATOM 807 CG GLU A 63 12.750 -1.261 7.303 1.00 0.00 C ATOM 808 CD GLU A 63 12.987 -1.997 8.608 1.00 0.00 C ATOM 809 OE1 GLU A 63 12.075 -2.725 9.051 1.00 0.00 O ATOM 810 OE2 GLU A 63 14.083 -1.843 9.186 1.00 0.00 O ATOM 0 H GLU A 63 13.333 -1.463 3.998 1.00 0.00 H new ATOM 0 HA GLU A 63 13.535 -3.595 6.046 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.412 -1.451 5.645 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.305 -2.758 6.807 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.708 -0.954 6.884 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.183 -0.351 7.501 1.00 0.00 H new ATOM 817 N GLY A 64 12.355 -3.788 3.198 1.00 0.00 N ATOM 818 CA GLY A 64 11.619 -4.596 2.243 1.00 0.00 C ATOM 819 C GLY A 64 11.044 -3.772 1.108 1.00 0.00 C ATOM 820 O GLY A 64 11.775 -3.331 0.220 1.00 0.00 O ATOM 0 H GLY A 64 13.071 -3.188 2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.279 -5.361 1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.810 -5.114 2.758 1.00 0.00 H new ATOM 824 N HIS A 65 9.731 -3.566 1.134 1.00 0.00 N ATOM 825 CA HIS A 65 9.059 -2.791 0.097 1.00 0.00 C ATOM 826 C HIS A 65 8.290 -1.622 0.706 1.00 0.00 C ATOM 827 O HIS A 65 7.655 -1.761 1.751 1.00 0.00 O ATOM 828 CB HIS A 65 8.107 -3.683 -0.700 1.00 0.00 C ATOM 829 CG HIS A 65 8.808 -4.691 -1.557 1.00 0.00 C ATOM 830 ND1 HIS A 65 9.076 -4.486 -2.894 1.00 0.00 N ATOM 831 CD2 HIS A 65 9.299 -5.917 -1.260 1.00 0.00 C ATOM 832 CE1 HIS A 65 9.700 -5.543 -3.383 1.00 0.00 C ATOM 833 NE2 HIS A 65 9.847 -6.426 -2.412 1.00 0.00 N ATOM 0 H HIS A 65 9.112 -3.925 1.861 1.00 0.00 H new ATOM 0 HA HIS A 65 9.819 -2.393 -0.575 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.445 -4.204 -0.008 1.00 0.00 H new ATOM 0 HB3 HIS A 65 7.478 -3.056 -1.332 1.00 0.00 H new ATOM 0 HD2 HIS A 65 9.266 -6.404 -0.297 1.00 0.00 H new ATOM 0 HE1 HIS A 65 10.033 -5.664 -4.403 1.00 0.00 H new ATOM 0 HE2 HIS A 65 10.295 -7.338 -2.503 1.00 0.00 H new ATOM 842 N VAL A 66 8.352 -0.470 0.045 1.00 0.00 N ATOM 843 CA VAL A 66 7.661 0.722 0.521 1.00 0.00 C ATOM 844 C VAL A 66 6.756 1.301 -0.561 1.00 0.00 C ATOM 845 O VAL A 66 7.046 1.193 -1.752 1.00 0.00 O ATOM 846 CB VAL A 66 8.658 1.805 0.974 1.00 0.00 C ATOM 847 CG1 VAL A 66 9.321 2.458 -0.229 1.00 0.00 C ATOM 848 CG2 VAL A 66 7.959 2.844 1.838 1.00 0.00 C ATOM 0 H VAL A 66 8.874 -0.337 -0.821 1.00 0.00 H new ATOM 0 HA VAL A 66 7.054 0.417 1.374 1.00 0.00 H new ATOM 0 HB VAL A 66 9.435 1.331 1.573 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.022 3.220 0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.857 1.703 -0.804 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.560 2.920 -0.858 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.678 3.602 2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.160 3.315 1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.537 2.360 2.719 1.00 0.00 H new ATOM 858 N VAL A 67 5.657 1.918 -0.138 1.00 0.00 N ATOM 859 CA VAL A 67 4.709 2.516 -1.070 1.00 0.00 C ATOM 860 C VAL A 67 4.171 3.838 -0.534 1.00 0.00 C ATOM 861 O VAL A 67 3.707 3.917 0.604 1.00 0.00 O ATOM 862 CB VAL A 67 3.527 1.571 -1.353 1.00 0.00 C ATOM 863 CG1 VAL A 67 2.625 2.151 -2.431 1.00 0.00 C ATOM 864 CG2 VAL A 67 4.032 0.193 -1.754 1.00 0.00 C ATOM 0 H VAL A 67 5.401 2.017 0.845 1.00 0.00 H new ATOM 0 HA VAL A 67 5.250 2.697 -1.999 1.00 0.00 H new ATOM 0 HB VAL A 67 2.941 1.467 -0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.795 1.469 -2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.236 3.114 -2.100 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.196 2.287 -3.349 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.184 -0.462 -1.950 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.642 0.277 -2.654 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.633 -0.224 -0.946 1.00 0.00 H new ATOM 874 N THR A 68 4.235 4.877 -1.362 1.00 0.00 N ATOM 875 CA THR A 68 3.755 6.196 -0.971 1.00 0.00 C ATOM 876 C THR A 68 2.647 6.675 -1.901 1.00 0.00 C ATOM 877 O THR A 68 2.795 6.652 -3.123 1.00 0.00 O ATOM 878 CB THR A 68 4.896 7.232 -0.974 1.00 0.00 C ATOM 879 OG1 THR A 68 6.034 6.709 -0.280 1.00 0.00 O ATOM 880 CG2 THR A 68 4.449 8.530 -0.319 1.00 0.00 C ATOM 0 H THR A 68 4.615 4.830 -2.307 1.00 0.00 H new ATOM 0 HA THR A 68 3.361 6.103 0.041 1.00 0.00 H new ATOM 0 HB THR A 68 5.166 7.440 -2.009 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.249 7.289 0.480 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.271 9.246 -0.333 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.601 8.941 -0.867 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.155 8.335 0.712 1.00 0.00 H new ATOM 888 N TYR A 69 1.537 7.110 -1.316 1.00 0.00 N ATOM 889 CA TYR A 69 0.402 7.594 -2.093 1.00 0.00 C ATOM 890 C TYR A 69 -0.164 8.876 -1.491 1.00 0.00 C ATOM 891 O TYR A 69 0.132 9.223 -0.346 1.00 0.00 O ATOM 892 CB TYR A 69 -0.690 6.524 -2.160 1.00 0.00 C ATOM 893 CG TYR A 69 -1.470 6.373 -0.874 1.00 0.00 C ATOM 894 CD1 TYR A 69 -2.400 7.331 -0.487 1.00 0.00 C ATOM 895 CD2 TYR A 69 -1.278 5.274 -0.046 1.00 0.00 C ATOM 896 CE1 TYR A 69 -3.115 7.198 0.688 1.00 0.00 C ATOM 897 CE2 TYR A 69 -1.990 5.132 1.129 1.00 0.00 C ATOM 898 CZ TYR A 69 -2.907 6.097 1.492 1.00 0.00 C ATOM 899 OH TYR A 69 -3.616 5.960 2.663 1.00 0.00 O ATOM 0 H TYR A 69 1.399 7.137 -0.306 1.00 0.00 H new ATOM 0 HA TYR A 69 0.752 7.812 -3.102 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.380 6.771 -2.967 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.234 5.567 -2.413 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.566 8.194 -1.115 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.560 4.518 -0.326 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.833 7.952 0.975 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.830 4.270 1.760 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.411 5.093 3.070 1.00 0.00 H new ATOM 909 N THR A 70 -0.981 9.578 -2.270 1.00 0.00 N ATOM 910 CA THR A 70 -1.589 10.822 -1.816 1.00 0.00 C ATOM 911 C THR A 70 -3.107 10.776 -1.955 1.00 0.00 C ATOM 912 O THR A 70 -3.649 10.573 -3.042 1.00 0.00 O ATOM 913 CB THR A 70 -1.050 12.031 -2.603 1.00 0.00 C ATOM 914 OG1 THR A 70 0.374 12.108 -2.468 1.00 0.00 O ATOM 915 CG2 THR A 70 -1.681 13.324 -2.110 1.00 0.00 C ATOM 0 H THR A 70 -1.237 9.306 -3.219 1.00 0.00 H new ATOM 0 HA THR A 70 -1.326 10.936 -0.764 1.00 0.00 H new ATOM 0 HB THR A 70 -1.309 11.897 -3.653 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.709 12.878 -2.972 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.284 14.163 -2.681 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.762 13.274 -2.241 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.450 13.462 -1.054 1.00 0.00 H new ATOM 923 N PRO A 71 -3.811 10.968 -0.830 1.00 0.00 N ATOM 924 CA PRO A 71 -5.277 10.953 -0.801 1.00 0.00 C ATOM 925 C PRO A 71 -5.882 12.164 -1.503 1.00 0.00 C ATOM 926 O PRO A 71 -5.344 13.268 -1.431 1.00 0.00 O ATOM 927 CB PRO A 71 -5.603 10.984 0.694 1.00 0.00 C ATOM 928 CG PRO A 71 -4.418 11.628 1.327 1.00 0.00 C ATOM 929 CD PRO A 71 -3.231 11.214 0.501 1.00 0.00 C ATOM 0 HA PRO A 71 -5.686 10.088 -1.322 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -6.513 11.551 0.889 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -5.764 9.979 1.085 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.524 12.713 1.341 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.305 11.305 2.362 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.471 11.995 0.470 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.754 10.320 0.903 1.00 0.00 H new ATOM 937 N MET A 72 -7.004 11.949 -2.183 1.00 0.00 N ATOM 938 CA MET A 72 -7.683 13.024 -2.896 1.00 0.00 C ATOM 939 C MET A 72 -9.078 13.259 -2.326 1.00 0.00 C ATOM 940 O MET A 72 -9.682 14.307 -2.550 1.00 0.00 O ATOM 941 CB MET A 72 -7.778 12.695 -4.387 1.00 0.00 C ATOM 942 CG MET A 72 -6.544 13.097 -5.178 1.00 0.00 C ATOM 943 SD MET A 72 -6.841 13.137 -6.956 1.00 0.00 S ATOM 944 CE MET A 72 -7.990 14.506 -7.077 1.00 0.00 C ATOM 0 H MET A 72 -7.462 11.040 -2.255 1.00 0.00 H new ATOM 0 HA MET A 72 -7.099 13.936 -2.768 1.00 0.00 H new ATOM 0 HB2 MET A 72 -7.942 11.624 -4.505 1.00 0.00 H new ATOM 0 HB3 MET A 72 -8.649 13.199 -4.807 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.210 14.080 -4.847 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.736 12.397 -4.964 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.932 14.943 -8.074 1.00 0.00 H new ATOM 0 HE2 MET A 72 -9.003 14.148 -6.896 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.735 15.262 -6.334 1.00 0.00 H new ATOM 954 N ALA A 73 -9.584 12.277 -1.587 1.00 0.00 N ATOM 955 CA ALA A 73 -10.906 12.378 -0.983 1.00 0.00 C ATOM 956 C ALA A 73 -11.037 11.442 0.213 1.00 0.00 C ATOM 957 O ALA A 73 -10.422 10.377 0.269 1.00 0.00 O ATOM 958 CB ALA A 73 -11.982 12.073 -2.015 1.00 0.00 C ATOM 0 H ALA A 73 -9.097 11.402 -1.392 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.038 13.400 -0.627 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.965 12.152 -1.550 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.911 12.786 -2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.842 11.062 -2.398 1.00 0.00 H new ATOM 964 N PRO A 74 -11.856 11.846 1.195 1.00 0.00 N ATOM 965 CA PRO A 74 -12.087 11.057 2.409 1.00 0.00 C ATOM 966 C PRO A 74 -12.884 9.788 2.133 1.00 0.00 C ATOM 967 O PRO A 74 -14.078 9.844 1.843 1.00 0.00 O ATOM 968 CB PRO A 74 -12.887 12.008 3.303 1.00 0.00 C ATOM 969 CG PRO A 74 -13.563 12.939 2.357 1.00 0.00 C ATOM 970 CD PRO A 74 -12.622 13.104 1.196 1.00 0.00 C ATOM 0 HA PRO A 74 -11.154 10.714 2.856 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.612 11.465 3.910 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.235 12.547 3.991 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.521 12.535 2.029 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.768 13.898 2.833 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.161 13.247 0.259 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.972 13.970 1.325 1.00 0.00 H new ATOM 978 N GLY A 75 -12.215 8.642 2.226 1.00 0.00 N ATOM 979 CA GLY A 75 -12.878 7.374 1.983 1.00 0.00 C ATOM 980 C GLY A 75 -12.065 6.192 2.471 1.00 0.00 C ATOM 981 O GLY A 75 -11.078 6.362 3.186 1.00 0.00 O ATOM 0 H GLY A 75 -11.226 8.570 2.465 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.848 7.374 2.480 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.067 7.265 0.915 1.00 0.00 H new ATOM 985 N ASN A 76 -12.482 4.990 2.086 1.00 0.00 N ATOM 986 CA ASN A 76 -11.786 3.774 2.492 1.00 0.00 C ATOM 987 C ASN A 76 -11.063 3.140 1.307 1.00 0.00 C ATOM 988 O ASN A 76 -11.655 2.381 0.539 1.00 0.00 O ATOM 989 CB ASN A 76 -12.774 2.774 3.096 1.00 0.00 C ATOM 990 CG ASN A 76 -13.817 3.446 3.967 1.00 0.00 C ATOM 991 OD1 ASN A 76 -13.486 4.197 4.884 1.00 0.00 O ATOM 992 ND2 ASN A 76 -15.087 3.177 3.684 1.00 0.00 N ATOM 0 H ASN A 76 -13.298 4.832 1.494 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.045 4.043 3.245 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -13.271 2.229 2.294 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -12.228 2.040 3.689 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -15.833 3.599 4.237 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -15.316 2.548 2.914 1.00 0.00 H new ATOM 999 N TYR A 77 -9.781 3.456 1.166 1.00 0.00 N ATOM 1000 CA TYR A 77 -8.977 2.919 0.074 1.00 0.00 C ATOM 1001 C TYR A 77 -8.555 1.482 0.365 1.00 0.00 C ATOM 1002 O TYR A 77 -7.855 1.213 1.342 1.00 0.00 O ATOM 1003 CB TYR A 77 -7.740 3.790 -0.153 1.00 0.00 C ATOM 1004 CG TYR A 77 -8.063 5.181 -0.649 1.00 0.00 C ATOM 1005 CD1 TYR A 77 -8.474 6.176 0.230 1.00 0.00 C ATOM 1006 CD2 TYR A 77 -7.956 5.501 -1.997 1.00 0.00 C ATOM 1007 CE1 TYR A 77 -8.770 7.448 -0.220 1.00 0.00 C ATOM 1008 CE2 TYR A 77 -8.249 6.771 -2.455 1.00 0.00 C ATOM 1009 CZ TYR A 77 -8.656 7.741 -1.563 1.00 0.00 C ATOM 1010 OH TYR A 77 -8.949 9.007 -2.015 1.00 0.00 O ATOM 0 H TYR A 77 -9.276 4.081 1.794 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.587 2.924 -0.829 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.183 3.866 0.781 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.087 3.298 -0.874 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.563 5.951 1.282 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.638 4.744 -2.699 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.089 8.209 0.476 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.160 7.003 -3.506 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.497 9.473 -1.350 1.00 0.00 H new ATOM 1020 N LEU A 78 -8.984 0.562 -0.492 1.00 0.00 N ATOM 1021 CA LEU A 78 -8.651 -0.849 -0.330 1.00 0.00 C ATOM 1022 C LEU A 78 -7.219 -1.125 -0.777 1.00 0.00 C ATOM 1023 O LEU A 78 -6.901 -1.040 -1.963 1.00 0.00 O ATOM 1024 CB LEU A 78 -9.623 -1.718 -1.129 1.00 0.00 C ATOM 1025 CG LEU A 78 -9.717 -3.184 -0.705 1.00 0.00 C ATOM 1026 CD1 LEU A 78 -8.330 -3.793 -0.577 1.00 0.00 C ATOM 1027 CD2 LEU A 78 -10.481 -3.312 0.605 1.00 0.00 C ATOM 0 H LEU A 78 -9.563 0.768 -1.306 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.737 -1.098 0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.617 -1.276 -1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.332 -1.682 -2.179 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.261 -3.731 -1.475 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.417 -4.837 -0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.817 -3.735 -1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.760 -3.244 0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.538 -4.362 0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.965 -2.751 1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -11.488 -2.915 0.479 1.00 0.00 H new ATOM 1039 N ILE A 79 -6.360 -1.458 0.181 1.00 0.00 N ATOM 1040 CA ILE A 79 -4.963 -1.750 -0.115 1.00 0.00 C ATOM 1041 C ILE A 79 -4.694 -3.250 -0.077 1.00 0.00 C ATOM 1042 O ILE A 79 -4.543 -3.837 0.994 1.00 0.00 O ATOM 1043 CB ILE A 79 -4.018 -1.045 0.877 1.00 0.00 C ATOM 1044 CG1 ILE A 79 -4.260 0.465 0.860 1.00 0.00 C ATOM 1045 CG2 ILE A 79 -2.568 -1.359 0.541 1.00 0.00 C ATOM 1046 CD1 ILE A 79 -3.831 1.160 2.134 1.00 0.00 C ATOM 0 H ILE A 79 -6.607 -1.532 1.168 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.769 -1.374 -1.120 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.226 -1.416 1.881 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.722 0.902 0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.320 0.653 0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.913 -0.854 1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.406 -2.435 0.600 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.345 -1.013 -0.468 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -4.032 2.228 2.051 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.387 0.750 2.977 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.764 1.003 2.293 1.00 0.00 H new ATOM 1058 N ALA A 80 -4.636 -3.865 -1.253 1.00 0.00 N ATOM 1059 CA ALA A 80 -4.382 -5.297 -1.355 1.00 0.00 C ATOM 1060 C ALA A 80 -2.889 -5.582 -1.483 1.00 0.00 C ATOM 1061 O ALA A 80 -2.271 -5.258 -2.497 1.00 0.00 O ATOM 1062 CB ALA A 80 -5.136 -5.884 -2.539 1.00 0.00 C ATOM 0 H ALA A 80 -4.761 -3.394 -2.149 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.739 -5.770 -0.440 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.937 -6.954 -2.603 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.206 -5.721 -2.406 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.806 -5.398 -3.457 1.00 0.00 H new ATOM 1068 N ILE A 81 -2.317 -6.189 -0.448 1.00 0.00 N ATOM 1069 CA ILE A 81 -0.897 -6.518 -0.446 1.00 0.00 C ATOM 1070 C ILE A 81 -0.681 -8.024 -0.545 1.00 0.00 C ATOM 1071 O ILE A 81 -1.151 -8.787 0.299 1.00 0.00 O ATOM 1072 CB ILE A 81 -0.200 -5.993 0.823 1.00 0.00 C ATOM 1073 CG1 ILE A 81 -0.357 -4.474 0.926 1.00 0.00 C ATOM 1074 CG2 ILE A 81 1.272 -6.379 0.816 1.00 0.00 C ATOM 1075 CD1 ILE A 81 -0.060 -3.929 2.306 1.00 0.00 C ATOM 0 H ILE A 81 -2.815 -6.463 0.399 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.459 -6.033 -1.319 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.671 -6.448 1.694 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.308 -3.998 0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.375 -4.202 0.648 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.752 -6.001 1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.363 -7.465 0.784 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.757 -5.948 -0.060 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.191 -2.847 2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.742 -4.377 3.029 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.967 -4.170 2.579 1.00 0.00 H new ATOM 1087 N LYS A 82 0.035 -8.447 -1.581 1.00 0.00 N ATOM 1088 CA LYS A 82 0.317 -9.862 -1.791 1.00 0.00 C ATOM 1089 C LYS A 82 1.820 -10.109 -1.886 1.00 0.00 C ATOM 1090 O LYS A 82 2.599 -9.180 -2.098 1.00 0.00 O ATOM 1091 CB LYS A 82 -0.373 -10.358 -3.063 1.00 0.00 C ATOM 1092 CG LYS A 82 -1.838 -9.967 -3.152 1.00 0.00 C ATOM 1093 CD LYS A 82 -2.611 -10.903 -4.066 1.00 0.00 C ATOM 1094 CE LYS A 82 -4.025 -10.400 -4.312 1.00 0.00 C ATOM 1095 NZ LYS A 82 -4.060 -9.321 -5.337 1.00 0.00 N ATOM 0 H LYS A 82 0.431 -7.829 -2.289 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.071 -10.415 -0.936 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.154 -9.961 -3.931 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.292 -11.444 -3.111 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.281 -9.982 -2.156 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.921 -8.945 -3.522 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.087 -10.999 -5.017 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.650 -11.897 -3.622 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.654 -11.229 -4.636 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.445 -10.027 -3.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.041 -9.006 -5.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.480 -8.519 -5.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.683 -9.684 -6.236 1.00 0.00 H new ATOM 1109 N TYR A 83 2.219 -11.366 -1.729 1.00 0.00 N ATOM 1110 CA TYR A 83 3.628 -11.734 -1.796 1.00 0.00 C ATOM 1111 C TYR A 83 3.789 -13.212 -2.141 1.00 0.00 C ATOM 1112 O TYR A 83 3.058 -14.062 -1.635 1.00 0.00 O ATOM 1113 CB TYR A 83 4.320 -11.431 -0.466 1.00 0.00 C ATOM 1114 CG TYR A 83 5.829 -11.399 -0.562 1.00 0.00 C ATOM 1115 CD1 TYR A 83 6.484 -10.326 -1.153 1.00 0.00 C ATOM 1116 CD2 TYR A 83 6.599 -12.441 -0.060 1.00 0.00 C ATOM 1117 CE1 TYR A 83 7.862 -10.293 -1.244 1.00 0.00 C ATOM 1118 CE2 TYR A 83 7.977 -12.415 -0.144 1.00 0.00 C ATOM 1119 CZ TYR A 83 8.604 -11.340 -0.738 1.00 0.00 C ATOM 1120 OH TYR A 83 9.977 -11.310 -0.825 1.00 0.00 O ATOM 0 H TYR A 83 1.587 -12.147 -1.554 1.00 0.00 H new ATOM 0 HA TYR A 83 4.095 -11.142 -2.584 1.00 0.00 H new ATOM 0 HB2 TYR A 83 3.968 -10.469 -0.093 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.027 -12.183 0.266 1.00 0.00 H new ATOM 0 HD1 TYR A 83 5.906 -9.504 -1.548 1.00 0.00 H new ATOM 0 HD2 TYR A 83 6.111 -13.286 0.404 1.00 0.00 H new ATOM 0 HE1 TYR A 83 8.356 -9.452 -1.709 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.561 -13.232 0.253 1.00 0.00 H new ATOM 0 HH TYR A 83 10.245 -10.728 -1.566 1.00 0.00 H new ATOM 1130 N GLY A 84 4.754 -13.509 -3.006 1.00 0.00 N ATOM 1131 CA GLY A 84 4.995 -14.884 -3.404 1.00 0.00 C ATOM 1132 C GLY A 84 3.711 -15.667 -3.591 1.00 0.00 C ATOM 1133 O GLY A 84 3.582 -16.787 -3.097 1.00 0.00 O ATOM 0 H GLY A 84 5.373 -12.823 -3.438 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.563 -14.895 -4.334 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.610 -15.375 -2.650 1.00 0.00 H new ATOM 1137 N GLY A 85 2.758 -15.077 -4.304 1.00 0.00 N ATOM 1138 CA GLY A 85 1.489 -15.741 -4.540 1.00 0.00 C ATOM 1139 C GLY A 85 0.355 -14.761 -4.768 1.00 0.00 C ATOM 1140 O GLY A 85 0.341 -13.657 -4.223 1.00 0.00 O ATOM 0 H GLY A 85 2.841 -14.151 -4.723 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.580 -16.394 -5.408 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.250 -16.376 -3.687 1.00 0.00 H new ATOM 1144 N PRO A 86 -0.623 -15.163 -5.593 1.00 0.00 N ATOM 1145 CA PRO A 86 -1.784 -14.326 -5.911 1.00 0.00 C ATOM 1146 C PRO A 86 -2.722 -14.160 -4.721 1.00 0.00 C ATOM 1147 O PRO A 86 -3.704 -13.421 -4.792 1.00 0.00 O ATOM 1148 CB PRO A 86 -2.479 -15.097 -7.036 1.00 0.00 C ATOM 1149 CG PRO A 86 -2.068 -16.515 -6.834 1.00 0.00 C ATOM 1150 CD PRO A 86 -0.672 -16.466 -6.278 1.00 0.00 C ATOM 0 HA PRO A 86 -1.493 -13.312 -6.187 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.562 -14.987 -6.981 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -2.171 -14.731 -8.016 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.744 -17.023 -6.147 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.095 -17.067 -7.774 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.485 -17.290 -5.589 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.077 -16.534 -7.067 1.00 0.00 H new ATOM 1158 N GLN A 87 -2.413 -14.850 -3.628 1.00 0.00 N ATOM 1159 CA GLN A 87 -3.230 -14.778 -2.422 1.00 0.00 C ATOM 1160 C GLN A 87 -2.851 -13.564 -1.580 1.00 0.00 C ATOM 1161 O GLN A 87 -1.842 -12.907 -1.839 1.00 0.00 O ATOM 1162 CB GLN A 87 -3.073 -16.056 -1.597 1.00 0.00 C ATOM 1163 CG GLN A 87 -3.730 -17.273 -2.228 1.00 0.00 C ATOM 1164 CD GLN A 87 -3.491 -18.542 -1.435 1.00 0.00 C ATOM 1165 OE1 GLN A 87 -4.356 -18.989 -0.681 1.00 0.00 O ATOM 1166 NE2 GLN A 87 -2.313 -19.132 -1.602 1.00 0.00 N ATOM 0 H GLN A 87 -1.603 -15.465 -3.553 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.272 -14.676 -2.725 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.011 -16.259 -1.456 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.501 -15.895 -0.608 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -4.803 -17.099 -2.313 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.347 -17.404 -3.240 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -1.625 -18.727 -2.237 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -2.096 -19.990 -1.095 1.00 0.00 H new ATOM 1175 N HIS A 88 -3.666 -13.272 -0.571 1.00 0.00 N ATOM 1176 CA HIS A 88 -3.416 -12.137 0.310 1.00 0.00 C ATOM 1177 C HIS A 88 -2.569 -12.556 1.508 1.00 0.00 C ATOM 1178 O HIS A 88 -2.823 -13.589 2.129 1.00 0.00 O ATOM 1179 CB HIS A 88 -4.737 -11.535 0.789 1.00 0.00 C ATOM 1180 CG HIS A 88 -5.506 -10.840 -0.292 1.00 0.00 C ATOM 1181 ND1 HIS A 88 -5.676 -9.473 -0.334 1.00 0.00 N ATOM 1182 CD2 HIS A 88 -6.150 -11.332 -1.376 1.00 0.00 C ATOM 1183 CE1 HIS A 88 -6.393 -9.153 -1.396 1.00 0.00 C ATOM 1184 NE2 HIS A 88 -6.693 -10.263 -2.046 1.00 0.00 N ATOM 0 H HIS A 88 -4.505 -13.806 -0.343 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.867 -11.384 -0.255 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -5.355 -12.327 1.212 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.534 -10.826 1.592 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -6.223 -12.371 -1.661 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -6.684 -8.154 -1.684 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -7.239 -10.317 -2.906 1.00 0.00 H new ATOM 1193 N ILE A 89 -1.563 -11.749 1.827 1.00 0.00 N ATOM 1194 CA ILE A 89 -0.680 -12.036 2.951 1.00 0.00 C ATOM 1195 C ILE A 89 -1.416 -11.889 4.279 1.00 0.00 C ATOM 1196 O ILE A 89 -2.468 -11.254 4.351 1.00 0.00 O ATOM 1197 CB ILE A 89 0.549 -11.108 2.952 1.00 0.00 C ATOM 1198 CG1 ILE A 89 0.123 -9.662 3.212 1.00 0.00 C ATOM 1199 CG2 ILE A 89 1.296 -11.217 1.631 1.00 0.00 C ATOM 1200 CD1 ILE A 89 1.194 -8.828 3.880 1.00 0.00 C ATOM 0 H ILE A 89 -1.339 -10.891 1.323 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.346 -13.067 2.836 1.00 0.00 H new ATOM 0 HB ILE A 89 1.220 -11.419 3.753 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.151 -9.197 2.265 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.770 -9.661 3.838 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.162 -10.555 1.647 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.627 -12.245 1.484 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.634 -10.929 0.814 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.823 -7.815 4.034 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.452 -9.270 4.842 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.080 -8.798 3.246 1.00 0.00 H new ATOM 1212 N VAL A 90 -0.853 -12.480 5.328 1.00 0.00 N ATOM 1213 CA VAL A 90 -1.453 -12.413 6.655 1.00 0.00 C ATOM 1214 C VAL A 90 -1.796 -10.976 7.032 1.00 0.00 C ATOM 1215 O VAL A 90 -0.910 -10.139 7.200 1.00 0.00 O ATOM 1216 CB VAL A 90 -0.516 -13.003 7.726 1.00 0.00 C ATOM 1217 CG1 VAL A 90 0.837 -12.307 7.692 1.00 0.00 C ATOM 1218 CG2 VAL A 90 -1.147 -12.893 9.105 1.00 0.00 C ATOM 0 H VAL A 90 0.017 -13.010 5.285 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.368 -13.004 6.618 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.361 -14.059 7.507 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.486 -12.736 8.455 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.291 -12.443 6.711 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.704 -11.243 7.886 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.471 -13.315 9.849 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.334 -11.844 9.337 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.089 -13.441 9.119 1.00 0.00 H new ATOM 1228 N GLY A 91 -3.089 -10.696 7.163 1.00 0.00 N ATOM 1229 CA GLY A 91 -3.527 -9.359 7.519 1.00 0.00 C ATOM 1230 C GLY A 91 -4.279 -8.677 6.394 1.00 0.00 C ATOM 1231 O GLY A 91 -5.279 -7.998 6.629 1.00 0.00 O ATOM 0 H GLY A 91 -3.841 -11.372 7.029 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.167 -9.412 8.400 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.660 -8.756 7.790 1.00 0.00 H new ATOM 1235 N SER A 92 -3.798 -8.855 5.168 1.00 0.00 N ATOM 1236 CA SER A 92 -4.428 -8.246 4.002 1.00 0.00 C ATOM 1237 C SER A 92 -5.785 -8.886 3.723 1.00 0.00 C ATOM 1238 O SER A 92 -6.065 -10.013 4.132 1.00 0.00 O ATOM 1239 CB SER A 92 -3.524 -8.385 2.776 1.00 0.00 C ATOM 1240 OG SER A 92 -2.543 -7.363 2.747 1.00 0.00 O ATOM 0 H SER A 92 -2.973 -9.417 4.956 1.00 0.00 H new ATOM 0 HA SER A 92 -4.581 -7.188 4.213 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.037 -9.360 2.788 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.127 -8.341 1.869 1.00 0.00 H new ATOM 0 HG SER A 92 -2.721 -6.718 3.463 1.00 0.00 H new ATOM 1246 N PRO A 93 -6.650 -8.149 3.010 1.00 0.00 N ATOM 1247 CA PRO A 93 -6.328 -6.805 2.519 1.00 0.00 C ATOM 1248 C PRO A 93 -6.236 -5.783 3.647 1.00 0.00 C ATOM 1249 O PRO A 93 -6.496 -6.099 4.808 1.00 0.00 O ATOM 1250 CB PRO A 93 -7.502 -6.476 1.593 1.00 0.00 C ATOM 1251 CG PRO A 93 -8.630 -7.307 2.101 1.00 0.00 C ATOM 1252 CD PRO A 93 -8.008 -8.570 2.628 1.00 0.00 C ATOM 0 HA PRO A 93 -5.356 -6.772 2.026 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.746 -5.414 1.626 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.268 -6.717 0.556 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.177 -6.785 2.886 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.343 -7.525 1.306 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.561 -8.965 3.480 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.987 -9.354 1.871 1.00 0.00 H new ATOM 1260 N PHE A 94 -5.864 -4.556 3.297 1.00 0.00 N ATOM 1261 CA PHE A 94 -5.737 -3.487 4.281 1.00 0.00 C ATOM 1262 C PHE A 94 -6.620 -2.299 3.910 1.00 0.00 C ATOM 1263 O PHE A 94 -6.398 -1.637 2.896 1.00 0.00 O ATOM 1264 CB PHE A 94 -4.278 -3.037 4.391 1.00 0.00 C ATOM 1265 CG PHE A 94 -3.395 -4.032 5.089 1.00 0.00 C ATOM 1266 CD1 PHE A 94 -3.430 -4.161 6.468 1.00 0.00 C ATOM 1267 CD2 PHE A 94 -2.531 -4.838 4.366 1.00 0.00 C ATOM 1268 CE1 PHE A 94 -2.618 -5.075 7.112 1.00 0.00 C ATOM 1269 CE2 PHE A 94 -1.717 -5.754 5.005 1.00 0.00 C ATOM 1270 CZ PHE A 94 -1.761 -5.873 6.380 1.00 0.00 C ATOM 0 H PHE A 94 -5.645 -4.277 2.340 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.065 -3.874 5.246 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -3.886 -2.854 3.390 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.238 -2.089 4.927 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.099 -3.541 7.046 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.493 -4.750 3.290 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.654 -5.165 8.188 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -1.047 -6.376 4.430 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.127 -6.589 6.882 1.00 0.00 H new ATOM 1280 N LYS A 95 -7.625 -2.035 4.739 1.00 0.00 N ATOM 1281 CA LYS A 95 -8.543 -0.928 4.502 1.00 0.00 C ATOM 1282 C LYS A 95 -8.005 0.364 5.108 1.00 0.00 C ATOM 1283 O LYS A 95 -7.849 0.472 6.324 1.00 0.00 O ATOM 1284 CB LYS A 95 -9.920 -1.246 5.089 1.00 0.00 C ATOM 1285 CG LYS A 95 -11.067 -0.588 4.340 1.00 0.00 C ATOM 1286 CD LYS A 95 -11.422 -1.356 3.078 1.00 0.00 C ATOM 1287 CE LYS A 95 -12.397 -2.486 3.369 1.00 0.00 C ATOM 1288 NZ LYS A 95 -11.694 -3.743 3.747 1.00 0.00 N ATOM 0 H LYS A 95 -7.824 -2.574 5.582 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.638 -0.791 3.425 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.067 -2.326 5.085 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.945 -0.924 6.130 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.941 -0.529 4.989 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -10.794 0.435 4.080 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -11.860 -0.675 2.348 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.515 -1.763 2.631 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.067 -2.188 4.175 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -13.016 -2.667 2.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.131 -4.547 3.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -10.692 -3.675 3.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -11.767 -3.886 4.775 1.00 0.00 H new ATOM 1302 N ALA A 96 -7.726 1.343 4.253 1.00 0.00 N ATOM 1303 CA ALA A 96 -7.210 2.628 4.706 1.00 0.00 C ATOM 1304 C ALA A 96 -8.282 3.710 4.624 1.00 0.00 C ATOM 1305 O ALA A 96 -8.705 4.099 3.535 1.00 0.00 O ATOM 1306 CB ALA A 96 -5.992 3.027 3.886 1.00 0.00 C ATOM 0 H ALA A 96 -7.849 1.270 3.243 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.914 2.524 5.750 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.617 3.989 4.236 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.214 2.272 3.999 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.271 3.106 2.835 1.00 0.00 H new ATOM 1312 N LYS A 97 -8.719 4.192 5.782 1.00 0.00 N ATOM 1313 CA LYS A 97 -9.742 5.230 5.843 1.00 0.00 C ATOM 1314 C LYS A 97 -9.110 6.607 6.020 1.00 0.00 C ATOM 1315 O LYS A 97 -8.667 6.961 7.113 1.00 0.00 O ATOM 1316 CB LYS A 97 -10.714 4.951 6.991 1.00 0.00 C ATOM 1317 CG LYS A 97 -11.776 6.022 7.163 1.00 0.00 C ATOM 1318 CD LYS A 97 -12.659 5.744 8.368 1.00 0.00 C ATOM 1319 CE LYS A 97 -13.663 4.639 8.081 1.00 0.00 C ATOM 1320 NZ LYS A 97 -14.821 5.134 7.286 1.00 0.00 N ATOM 0 H LYS A 97 -8.381 3.880 6.692 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.291 5.220 4.901 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -11.202 3.992 6.818 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.150 4.858 7.919 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.298 6.995 7.278 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.391 6.073 6.264 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -12.038 5.461 9.218 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -13.189 6.654 8.650 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.170 3.832 7.540 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -14.021 4.220 9.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -15.688 4.650 7.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.927 6.159 7.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -14.658 4.939 6.277 1.00 0.00 H new ATOM 1334 N VAL A 98 -9.074 7.380 4.940 1.00 0.00 N ATOM 1335 CA VAL A 98 -8.499 8.719 4.977 1.00 0.00 C ATOM 1336 C VAL A 98 -9.507 9.736 5.501 1.00 0.00 C ATOM 1337 O VAL A 98 -10.683 9.706 5.136 1.00 0.00 O ATOM 1338 CB VAL A 98 -8.017 9.162 3.583 1.00 0.00 C ATOM 1339 CG1 VAL A 98 -7.736 10.657 3.565 1.00 0.00 C ATOM 1340 CG2 VAL A 98 -6.782 8.374 3.171 1.00 0.00 C ATOM 0 H VAL A 98 -9.436 7.102 4.028 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.644 8.677 5.652 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.808 8.957 2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -7.397 10.951 2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.647 11.201 3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.963 10.891 4.297 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.455 8.700 2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.983 8.546 3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.022 7.311 3.141 1.00 0.00 H new ATOM 1350 N THR A 99 -9.040 10.637 6.359 1.00 0.00 N ATOM 1351 CA THR A 99 -9.900 11.663 6.934 1.00 0.00 C ATOM 1352 C THR A 99 -9.609 13.030 6.325 1.00 0.00 C ATOM 1353 O THR A 99 -8.599 13.216 5.648 1.00 0.00 O ATOM 1354 CB THR A 99 -9.729 11.748 8.462 1.00 0.00 C ATOM 1355 OG1 THR A 99 -8.396 12.159 8.784 1.00 0.00 O ATOM 1356 CG2 THR A 99 -10.023 10.406 9.115 1.00 0.00 C ATOM 0 H THR A 99 -8.070 10.677 6.671 1.00 0.00 H new ATOM 0 HA THR A 99 -10.927 11.378 6.706 1.00 0.00 H new ATOM 0 HB THR A 99 -10.437 12.483 8.844 1.00 0.00 H new ATOM 0 HG1 THR A 99 -7.759 11.492 8.454 1.00 0.00 H new ATOM 0 HG21 THR A 99 -9.896 10.491 10.194 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.048 10.110 8.893 1.00 0.00 H new ATOM 0 HG23 THR A 99 -9.336 9.654 8.727 1.00 0.00 H new ATOM 1364 N GLY A 100 -10.501 13.985 6.570 1.00 0.00 N ATOM 1365 CA GLY A 100 -10.321 15.323 6.038 1.00 0.00 C ATOM 1366 C GLY A 100 -11.257 15.619 4.883 1.00 0.00 C ATOM 1367 O GLY A 100 -11.949 14.736 4.375 1.00 0.00 O ATOM 0 H GLY A 100 -11.345 13.856 7.128 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.487 16.051 6.832 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.290 15.443 5.706 1.00 0.00 H new ATOM 1371 N PRO A 101 -11.288 16.889 4.452 1.00 0.00 N ATOM 1372 CA PRO A 101 -12.144 17.328 3.346 1.00 0.00 C ATOM 1373 C PRO A 101 -11.680 16.780 2.001 1.00 0.00 C ATOM 1374 O PRO A 101 -10.534 16.352 1.856 1.00 0.00 O ATOM 1375 CB PRO A 101 -12.008 18.853 3.377 1.00 0.00 C ATOM 1376 CG PRO A 101 -10.686 19.103 4.015 1.00 0.00 C ATOM 1377 CD PRO A 101 -10.490 17.993 5.011 1.00 0.00 C ATOM 0 HA PRO A 101 -13.169 16.975 3.459 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.049 19.274 2.373 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -12.816 19.311 3.948 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.888 19.106 3.272 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.668 20.076 4.506 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.439 17.721 5.108 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -10.838 18.278 6.004 1.00 0.00 H new