USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 723 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 27 GLN : amide:sc= 0.38 K(o=-1.5,f=-3.1!) USER MOD Set 1.2: A 30 THR OG1 : rot -130:sc= 0 USER MOD Set 1.3: A 32 TYR OH : rot -30:sc= -0.421 USER MOD Set 1.4: A 103 ASN : amide:sc= -1.43! C(o=-1.5!,f=-3.1!) USER MOD Set 2.1: A 37 CYS SG : rot -95:sc= -9.91! USER MOD Set 2.2: A 47 CYS SG : rot -92:sc= -16.8! USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -1.96! USER MOD Single : A 8 THR OG1 : rot -138:sc= -5.64! USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -7:sc= 0.95 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 91:sc= 0.325 USER MOD Single : A 20 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.124) USER MOD Single : A 36 GLN : amide:sc= -7.59! C(o=-7.6!,f=-13!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -5.05! C(o=-5.1!,f=-19!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.104 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.37 K(o=-0.37,f=-3.1!) USER MOD Single : A 62 SER OG : rot 23:sc= 0.111 USER MOD Single : A 64 SER OG : rot 180:sc= -0.0759 USER MOD Single : A 65 THR OG1 : rot 53:sc= -0.427 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 130:sc= -2.99! USER MOD Single : A 72 SER OG : rot 180:sc= -0.982 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0898 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.023 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.174 K(o=-0.17,f=-2.3!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= -0.216 USER MOD Single : A 113 ASN : amide:sc= -0.406 X(o=-0.41,f=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ALA A 2 3.439 12.764 -5.254 1.00 0.00 N ATOM 12 CA ALA A 2 4.050 11.674 -4.521 1.00 0.00 C ATOM 13 C ALA A 2 5.321 12.160 -3.840 1.00 0.00 C ATOM 14 O ALA A 2 6.282 12.535 -4.509 1.00 0.00 O ATOM 15 CB ALA A 2 4.354 10.526 -5.479 1.00 0.00 C ATOM 0 HA ALA A 2 3.364 11.317 -3.753 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.814 9.705 -4.929 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.428 10.181 -5.939 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.038 10.871 -6.255 1.00 0.00 H new ATOM 21 N PRO A 3 5.326 12.153 -2.505 1.00 0.00 N ATOM 22 CA PRO A 3 6.444 12.577 -1.691 1.00 0.00 C ATOM 23 C PRO A 3 7.556 11.541 -1.770 1.00 0.00 C ATOM 24 O PRO A 3 7.430 10.546 -2.480 1.00 0.00 O ATOM 25 CB PRO A 3 5.883 12.671 -0.273 1.00 0.00 C ATOM 26 CG PRO A 3 4.783 11.610 -0.274 1.00 0.00 C ATOM 27 CD PRO A 3 4.214 11.719 -1.687 1.00 0.00 C ATOM 0 HA PRO A 3 6.870 13.526 -2.017 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.645 12.463 0.478 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.487 13.664 -0.059 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.180 10.615 -0.073 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.026 11.811 0.484 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.822 10.761 -2.030 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.392 12.433 -1.728 1.00 0.00 H new ATOM 35 N THR A 4 8.648 11.776 -1.039 1.00 0.00 N ATOM 36 CA THR A 4 9.772 10.862 -1.034 1.00 0.00 C ATOM 37 C THR A 4 9.717 9.979 0.204 1.00 0.00 C ATOM 38 O THR A 4 9.821 10.470 1.326 1.00 0.00 O ATOM 39 CB THR A 4 11.073 11.657 -1.073 1.00 0.00 C ATOM 40 OG1 THR A 4 12.167 10.773 -0.976 1.00 0.00 O ATOM 41 CG2 THR A 4 11.106 12.638 0.095 1.00 0.00 C ATOM 0 H THR A 4 8.769 12.596 -0.444 1.00 0.00 H new ATOM 0 HA THR A 4 9.726 10.221 -1.914 1.00 0.00 H new ATOM 0 HB THR A 4 11.133 12.208 -2.011 1.00 0.00 H new ATOM 0 HG1 THR A 4 13.003 11.283 -1.003 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.036 13.206 0.067 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.261 13.322 0.020 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.045 12.088 1.034 1.00 0.00 H new ATOM 49 N ALA A 5 9.553 8.670 -0.003 1.00 0.00 N ATOM 50 CA ALA A 5 9.484 7.726 1.094 1.00 0.00 C ATOM 51 C ALA A 5 10.428 6.561 0.832 1.00 0.00 C ATOM 52 O ALA A 5 10.730 6.251 -0.319 1.00 0.00 O ATOM 53 CB ALA A 5 8.048 7.234 1.251 1.00 0.00 C ATOM 0 H ALA A 5 9.466 8.247 -0.927 1.00 0.00 H new ATOM 0 HA ALA A 5 9.790 8.214 2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.995 6.524 2.076 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.394 8.081 1.459 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.728 6.746 0.331 1.00 0.00 H new ATOM 59 N THR A 6 10.895 5.914 1.902 1.00 0.00 N ATOM 60 CA THR A 6 11.799 4.789 1.777 1.00 0.00 C ATOM 61 C THR A 6 11.091 3.506 2.186 1.00 0.00 C ATOM 62 O THR A 6 10.761 3.321 3.356 1.00 0.00 O ATOM 63 CB THR A 6 13.029 5.028 2.648 1.00 0.00 C ATOM 64 OG1 THR A 6 12.662 5.779 3.784 1.00 0.00 O ATOM 65 CG2 THR A 6 14.078 5.796 1.848 1.00 0.00 C ATOM 0 H THR A 6 10.656 6.157 2.863 1.00 0.00 H new ATOM 0 HA THR A 6 12.117 4.688 0.739 1.00 0.00 H new ATOM 0 HB THR A 6 13.442 4.070 2.963 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.451 5.931 4.344 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.957 5.967 2.470 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.362 5.216 0.970 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.665 6.754 1.532 1.00 0.00 H new ATOM 73 N VAL A 7 10.857 2.618 1.217 1.00 0.00 N ATOM 74 CA VAL A 7 10.191 1.358 1.478 1.00 0.00 C ATOM 75 C VAL A 7 11.196 0.218 1.402 1.00 0.00 C ATOM 76 O VAL A 7 12.133 0.266 0.607 1.00 0.00 O ATOM 77 CB VAL A 7 9.068 1.158 0.464 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.395 -0.189 0.710 1.00 0.00 C ATOM 79 CG2 VAL A 7 8.040 2.276 0.617 1.00 0.00 C ATOM 0 H VAL A 7 11.124 2.758 0.242 1.00 0.00 H new ATOM 0 HA VAL A 7 9.761 1.370 2.479 1.00 0.00 H new ATOM 0 HB VAL A 7 9.481 1.179 -0.545 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.593 -0.333 -0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.129 -0.988 0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.982 -0.211 1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 7 7.238 2.134 -0.107 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.627 2.255 1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.520 3.239 0.442 1.00 0.00 H new ATOM 89 N THR A 8 11.002 -0.810 2.231 1.00 0.00 N ATOM 90 CA THR A 8 11.892 -1.953 2.249 1.00 0.00 C ATOM 91 C THR A 8 11.778 -2.719 0.939 1.00 0.00 C ATOM 92 O THR A 8 10.964 -2.377 0.084 1.00 0.00 O ATOM 93 CB THR A 8 11.542 -2.850 3.432 1.00 0.00 C ATOM 94 OG1 THR A 8 12.728 -3.349 4.010 1.00 0.00 O ATOM 95 CG2 THR A 8 10.683 -4.015 2.951 1.00 0.00 C ATOM 0 H THR A 8 10.232 -0.866 2.897 1.00 0.00 H new ATOM 0 HA THR A 8 12.922 -1.614 2.359 1.00 0.00 H new ATOM 0 HB THR A 8 10.990 -2.273 4.174 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.610 -4.296 4.234 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.433 -4.656 3.796 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.766 -3.631 2.503 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.235 -4.592 2.209 1.00 0.00 H new ATOM 103 N PRO A 9 12.599 -3.761 0.783 1.00 0.00 N ATOM 104 CA PRO A 9 12.631 -4.605 -0.392 1.00 0.00 C ATOM 105 C PRO A 9 11.392 -5.487 -0.421 1.00 0.00 C ATOM 106 O PRO A 9 11.189 -6.306 0.473 1.00 0.00 O ATOM 107 CB PRO A 9 13.897 -5.445 -0.235 1.00 0.00 C ATOM 108 CG PRO A 9 14.042 -5.559 1.282 1.00 0.00 C ATOM 109 CD PRO A 9 13.568 -4.191 1.767 1.00 0.00 C ATOM 0 HA PRO A 9 12.639 -4.037 -1.322 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.795 -6.423 -0.706 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.762 -4.961 -0.689 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.432 -6.366 1.688 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.072 -5.759 1.577 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.121 -4.257 2.759 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.398 -3.488 1.838 1.00 0.00 H new ATOM 117 N SER A 10 10.560 -5.317 -1.452 1.00 0.00 N ATOM 118 CA SER A 10 9.347 -6.097 -1.590 1.00 0.00 C ATOM 119 C SER A 10 9.462 -7.022 -2.793 1.00 0.00 C ATOM 120 O SER A 10 8.543 -7.105 -3.606 1.00 0.00 O ATOM 121 CB SER A 10 8.154 -5.157 -1.743 1.00 0.00 C ATOM 122 OG SER A 10 8.408 -4.241 -2.783 1.00 0.00 O ATOM 0 H SER A 10 10.713 -4.642 -2.201 1.00 0.00 H new ATOM 0 HA SER A 10 9.200 -6.708 -0.700 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.252 -5.729 -1.960 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.976 -4.623 -0.809 1.00 0.00 H new ATOM 0 HG SER A 10 7.642 -3.638 -2.883 1.00 0.00 H new ATOM 128 N SER A 11 10.594 -7.720 -2.905 1.00 0.00 N ATOM 129 CA SER A 11 10.821 -8.636 -4.005 1.00 0.00 C ATOM 130 C SER A 11 11.200 -10.008 -3.466 1.00 0.00 C ATOM 131 O SER A 11 12.312 -10.200 -2.978 1.00 0.00 O ATOM 132 CB SER A 11 11.923 -8.085 -4.905 1.00 0.00 C ATOM 133 OG SER A 11 13.175 -8.271 -4.283 1.00 0.00 O ATOM 0 H SER A 11 11.366 -7.662 -2.240 1.00 0.00 H new ATOM 0 HA SER A 11 9.908 -8.739 -4.591 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.906 -8.591 -5.870 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.754 -7.025 -5.097 1.00 0.00 H new ATOM 0 HG SER A 11 13.041 -8.600 -3.370 1.00 0.00 H new ATOM 139 N GLY A 12 10.273 -10.964 -3.555 1.00 0.00 N ATOM 140 CA GLY A 12 10.519 -12.310 -3.076 1.00 0.00 C ATOM 141 C GLY A 12 10.087 -12.440 -1.622 1.00 0.00 C ATOM 142 O GLY A 12 10.641 -13.244 -0.877 1.00 0.00 O ATOM 0 H GLY A 12 9.346 -10.823 -3.956 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.974 -13.027 -3.690 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.578 -12.549 -3.171 1.00 0.00 H new ATOM 146 N LEU A 13 9.093 -11.644 -1.221 1.00 0.00 N ATOM 147 CA LEU A 13 8.591 -11.673 0.139 1.00 0.00 C ATOM 148 C LEU A 13 7.287 -12.456 0.192 1.00 0.00 C ATOM 149 O LEU A 13 6.390 -12.227 -0.617 1.00 0.00 O ATOM 150 CB LEU A 13 8.385 -10.244 0.634 1.00 0.00 C ATOM 151 CG LEU A 13 9.522 -9.361 0.129 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.788 -8.247 1.137 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.783 -10.204 -0.043 1.00 0.00 C ATOM 0 H LEU A 13 8.624 -10.972 -1.828 1.00 0.00 H new ATOM 0 HA LEU A 13 9.314 -12.168 0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.428 -9.860 0.281 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.353 -10.226 1.723 1.00 0.00 H new ATOM 0 HG LEU A 13 9.244 -8.924 -0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.600 -7.616 0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.888 -7.645 1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.066 -8.683 2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.596 -9.574 -0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.062 -10.642 0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.593 -10.999 -0.764 1.00 0.00 H new ATOM 165 N SER A 14 7.184 -13.382 1.148 1.00 0.00 N ATOM 166 CA SER A 14 5.991 -14.191 1.301 1.00 0.00 C ATOM 167 C SER A 14 5.273 -13.814 2.589 1.00 0.00 C ATOM 168 O SER A 14 5.776 -13.009 3.370 1.00 0.00 O ATOM 169 CB SER A 14 6.377 -15.667 1.309 1.00 0.00 C ATOM 170 OG SER A 14 6.941 -16.012 0.063 1.00 0.00 O ATOM 0 H SER A 14 7.919 -13.584 1.825 1.00 0.00 H new ATOM 0 HA SER A 14 5.314 -14.010 0.466 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.090 -15.863 2.110 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.499 -16.282 1.506 1.00 0.00 H new ATOM 0 HG SER A 14 7.191 -16.960 0.068 1.00 0.00 H new ATOM 176 N ASP A 15 4.094 -14.399 2.810 1.00 0.00 N ATOM 177 CA ASP A 15 3.315 -14.122 4.000 1.00 0.00 C ATOM 178 C ASP A 15 4.205 -14.214 5.231 1.00 0.00 C ATOM 179 O ASP A 15 5.058 -15.094 5.318 1.00 0.00 O ATOM 180 CB ASP A 15 2.159 -15.115 4.092 1.00 0.00 C ATOM 181 CG ASP A 15 2.612 -16.514 3.700 1.00 0.00 C ATOM 182 OD1 ASP A 15 2.844 -16.717 2.489 1.00 0.00 O ATOM 183 OD2 ASP A 15 2.718 -17.355 4.619 1.00 0.00 O ATOM 0 H ASP A 15 3.664 -15.069 2.173 1.00 0.00 H new ATOM 0 HA ASP A 15 2.906 -13.113 3.946 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.765 -15.127 5.108 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.347 -14.795 3.439 1.00 0.00 H new ATOM 188 N GLY A 16 4.004 -13.303 6.186 1.00 0.00 N ATOM 189 CA GLY A 16 4.791 -13.290 7.403 1.00 0.00 C ATOM 190 C GLY A 16 5.838 -12.187 7.343 1.00 0.00 C ATOM 191 O GLY A 16 6.318 -11.726 8.376 1.00 0.00 O ATOM 0 H GLY A 16 3.300 -12.567 6.132 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.140 -13.136 8.264 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.278 -14.256 7.540 1.00 0.00 H new ATOM 195 N THR A 17 6.193 -11.764 6.127 1.00 0.00 N ATOM 196 CA THR A 17 7.179 -10.718 5.943 1.00 0.00 C ATOM 197 C THR A 17 6.539 -9.356 6.167 1.00 0.00 C ATOM 198 O THR A 17 5.343 -9.184 5.942 1.00 0.00 O ATOM 199 CB THR A 17 7.765 -10.816 4.537 1.00 0.00 C ATOM 200 OG1 THR A 17 8.387 -12.071 4.374 1.00 0.00 O ATOM 201 CG2 THR A 17 8.795 -9.708 4.337 1.00 0.00 C ATOM 0 H THR A 17 5.807 -12.136 5.259 1.00 0.00 H new ATOM 0 HA THR A 17 7.983 -10.840 6.669 1.00 0.00 H new ATOM 0 HB THR A 17 6.967 -10.707 3.802 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.739 -12.713 4.015 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.214 -9.777 3.333 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.315 -8.738 4.463 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.593 -9.816 5.071 1.00 0.00 H new ATOM 209 N VAL A 18 7.341 -8.385 6.612 1.00 0.00 N ATOM 210 CA VAL A 18 6.852 -7.045 6.864 1.00 0.00 C ATOM 211 C VAL A 18 7.732 -6.032 6.145 1.00 0.00 C ATOM 212 O VAL A 18 8.942 -5.997 6.358 1.00 0.00 O ATOM 213 CB VAL A 18 6.842 -6.782 8.367 1.00 0.00 C ATOM 214 CG1 VAL A 18 8.277 -6.656 8.871 1.00 0.00 C ATOM 215 CG2 VAL A 18 6.087 -5.487 8.651 1.00 0.00 C ATOM 0 H VAL A 18 8.335 -8.512 6.803 1.00 0.00 H new ATOM 0 HA VAL A 18 5.835 -6.947 6.485 1.00 0.00 H new ATOM 0 HB VAL A 18 6.349 -7.609 8.878 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.270 -6.468 9.945 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.817 -7.581 8.668 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.770 -5.829 8.361 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.079 -5.298 9.725 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.579 -4.659 8.141 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.062 -5.577 8.291 1.00 0.00 H new ATOM 225 N VAL A 19 7.121 -5.207 5.292 1.00 0.00 N ATOM 226 CA VAL A 19 7.850 -4.200 4.547 1.00 0.00 C ATOM 227 C VAL A 19 7.932 -2.917 5.362 1.00 0.00 C ATOM 228 O VAL A 19 7.291 -2.799 6.403 1.00 0.00 O ATOM 229 CB VAL A 19 7.152 -3.950 3.213 1.00 0.00 C ATOM 230 CG1 VAL A 19 7.238 -5.206 2.351 1.00 0.00 C ATOM 231 CG2 VAL A 19 5.687 -3.605 3.463 1.00 0.00 C ATOM 0 H VAL A 19 6.118 -5.224 5.105 1.00 0.00 H new ATOM 0 HA VAL A 19 8.864 -4.549 4.351 1.00 0.00 H new ATOM 0 HB VAL A 19 7.638 -3.121 2.698 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.740 -5.028 1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.284 -5.454 2.173 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.752 -6.035 2.866 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.188 -3.426 2.511 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.201 -4.434 3.978 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.624 -2.708 4.079 1.00 0.00 H new ATOM 241 N LYS A 20 8.724 -1.954 4.884 1.00 0.00 N ATOM 242 CA LYS A 20 8.884 -0.687 5.570 1.00 0.00 C ATOM 243 C LYS A 20 8.496 0.456 4.643 1.00 0.00 C ATOM 244 O LYS A 20 8.697 0.374 3.434 1.00 0.00 O ATOM 245 CB LYS A 20 10.330 -0.540 6.034 1.00 0.00 C ATOM 246 CG LYS A 20 10.354 -0.145 7.507 1.00 0.00 C ATOM 247 CD LYS A 20 10.357 1.376 7.627 1.00 0.00 C ATOM 248 CE LYS A 20 11.253 1.794 8.789 1.00 0.00 C ATOM 249 NZ LYS A 20 12.031 2.995 8.450 1.00 0.00 N ATOM 0 H LYS A 20 9.262 -2.036 4.022 1.00 0.00 H new ATOM 0 HA LYS A 20 8.231 -0.657 6.442 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.867 -1.478 5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.840 0.215 5.436 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.486 -0.559 8.019 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.238 -0.560 7.991 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.714 1.824 6.700 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.342 1.741 7.787 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.643 1.989 9.671 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.930 0.978 9.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.773 3.141 9.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.470 2.872 7.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.401 3.822 8.430 1.00 0.00 H new ATOM 263 N VAL A 21 7.937 1.525 5.215 1.00 0.00 N ATOM 264 CA VAL A 21 7.523 2.678 4.441 1.00 0.00 C ATOM 265 C VAL A 21 7.762 3.950 5.243 1.00 0.00 C ATOM 266 O VAL A 21 7.031 4.235 6.189 1.00 0.00 O ATOM 267 CB VAL A 21 6.049 2.540 4.072 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.915 2.386 2.559 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.465 1.311 4.762 1.00 0.00 C ATOM 0 H VAL A 21 7.764 1.608 6.217 1.00 0.00 H new ATOM 0 HA VAL A 21 8.109 2.735 3.524 1.00 0.00 H new ATOM 0 HB VAL A 21 5.509 3.430 4.396 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.862 2.287 2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.332 3.264 2.066 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.455 1.497 2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.412 1.212 4.499 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.005 0.421 4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.560 1.421 5.842 1.00 0.00 H new ATOM 279 N ALA A 22 8.789 4.713 4.863 1.00 0.00 N ATOM 280 CA ALA A 22 9.118 5.947 5.547 1.00 0.00 C ATOM 281 C ALA A 22 9.003 7.119 4.582 1.00 0.00 C ATOM 282 O ALA A 22 9.737 7.190 3.599 1.00 0.00 O ATOM 283 CB ALA A 22 10.531 5.851 6.115 1.00 0.00 C ATOM 0 H ALA A 22 9.404 4.489 4.081 1.00 0.00 H new ATOM 0 HA ALA A 22 8.420 6.109 6.368 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.780 6.779 6.630 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.585 5.020 6.818 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.239 5.685 5.303 1.00 0.00 H new ATOM 289 N GLY A 23 8.078 8.039 4.864 1.00 0.00 N ATOM 290 CA GLY A 23 7.876 9.198 4.018 1.00 0.00 C ATOM 291 C GLY A 23 8.881 10.287 4.365 1.00 0.00 C ATOM 292 O GLY A 23 9.292 10.412 5.517 1.00 0.00 O ATOM 0 H GLY A 23 7.460 7.996 5.675 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.983 8.915 2.971 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.862 9.576 4.144 1.00 0.00 H new ATOM 296 N ALA A 24 9.278 11.076 3.364 1.00 0.00 N ATOM 297 CA ALA A 24 10.232 12.147 3.567 1.00 0.00 C ATOM 298 C ALA A 24 9.933 13.293 2.610 1.00 0.00 C ATOM 299 O ALA A 24 9.981 13.118 1.395 1.00 0.00 O ATOM 300 CB ALA A 24 11.646 11.616 3.348 1.00 0.00 C ATOM 0 H ALA A 24 8.947 10.985 2.404 1.00 0.00 H new ATOM 0 HA ALA A 24 10.152 12.521 4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.365 12.421 3.500 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.846 10.812 4.056 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.738 11.235 2.331 1.00 0.00 H new ATOM 306 N GLY A 25 9.621 14.468 3.161 1.00 0.00 N ATOM 307 CA GLY A 25 9.316 15.631 2.351 1.00 0.00 C ATOM 308 C GLY A 25 7.813 15.742 2.132 1.00 0.00 C ATOM 309 O GLY A 25 7.364 16.466 1.247 1.00 0.00 O ATOM 0 H GLY A 25 9.575 14.631 4.167 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.687 16.531 2.841 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.826 15.558 1.391 1.00 0.00 H new ATOM 313 N LEU A 26 7.036 15.019 2.943 1.00 0.00 N ATOM 314 CA LEU A 26 5.591 15.039 2.835 1.00 0.00 C ATOM 315 C LEU A 26 5.024 16.160 3.694 1.00 0.00 C ATOM 316 O LEU A 26 5.774 16.951 4.261 1.00 0.00 O ATOM 317 CB LEU A 26 5.031 13.688 3.271 1.00 0.00 C ATOM 318 CG LEU A 26 6.164 12.670 3.352 1.00 0.00 C ATOM 319 CD1 LEU A 26 6.810 12.737 4.733 1.00 0.00 C ATOM 320 CD2 LEU A 26 5.607 11.268 3.118 1.00 0.00 C ATOM 0 H LEU A 26 7.394 14.413 3.681 1.00 0.00 H new ATOM 0 HA LEU A 26 5.303 15.221 1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.541 13.781 4.240 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.274 13.350 2.563 1.00 0.00 H new ATOM 0 HG LEU A 26 6.910 12.896 2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.620 12.010 4.792 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.208 13.738 4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.064 12.511 5.495 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.417 10.540 3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.860 11.041 3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.146 11.220 2.132 1.00 0.00 H new ATOM 332 N GLN A 27 3.694 16.226 3.790 1.00 0.00 N ATOM 333 CA GLN A 27 3.035 17.249 4.577 1.00 0.00 C ATOM 334 C GLN A 27 3.268 16.990 6.059 1.00 0.00 C ATOM 335 O GLN A 27 2.900 15.937 6.573 1.00 0.00 O ATOM 336 CB GLN A 27 1.543 17.251 4.257 1.00 0.00 C ATOM 337 CG GLN A 27 1.322 17.822 2.860 1.00 0.00 C ATOM 338 CD GLN A 27 1.067 16.710 1.853 1.00 0.00 C ATOM 339 OE1 GLN A 27 1.766 16.608 0.847 1.00 0.00 O ATOM 340 NE2 GLN A 27 0.061 15.875 2.125 1.00 0.00 N ATOM 0 H GLN A 27 3.058 15.577 3.327 1.00 0.00 H new ATOM 0 HA GLN A 27 3.449 18.227 4.330 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.147 16.237 4.314 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.003 17.846 4.994 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.475 18.508 2.873 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.195 18.400 2.557 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.491 16.001 2.974 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.155 15.111 1.484 1.00 0.00 H new ATOM 349 N ALA A 28 3.882 17.957 6.745 1.00 0.00 N ATOM 350 CA ALA A 28 4.162 17.830 8.161 1.00 0.00 C ATOM 351 C ALA A 28 2.859 17.846 8.947 1.00 0.00 C ATOM 352 O ALA A 28 1.978 18.660 8.676 1.00 0.00 O ATOM 353 CB ALA A 28 5.074 18.970 8.603 1.00 0.00 C ATOM 0 H ALA A 28 4.192 18.837 6.333 1.00 0.00 H new ATOM 0 HA ALA A 28 4.668 16.883 8.352 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.285 18.875 9.668 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.008 18.927 8.043 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.582 19.924 8.414 1.00 0.00 H new ATOM 359 N GLY A 29 2.736 16.945 9.925 1.00 0.00 N ATOM 360 CA GLY A 29 1.541 16.865 10.740 1.00 0.00 C ATOM 361 C GLY A 29 0.375 16.335 9.917 1.00 0.00 C ATOM 362 O GLY A 29 -0.763 16.326 10.381 1.00 0.00 O ATOM 0 H GLY A 29 3.456 16.263 10.165 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.718 16.212 11.595 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.297 17.850 11.137 1.00 0.00 H new ATOM 366 N THR A 30 0.660 15.892 8.690 1.00 0.00 N ATOM 367 CA THR A 30 -0.365 15.365 7.813 1.00 0.00 C ATOM 368 C THR A 30 -0.630 13.903 8.145 1.00 0.00 C ATOM 369 O THR A 30 0.280 13.179 8.540 1.00 0.00 O ATOM 370 CB THR A 30 0.080 15.517 6.362 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.049 15.725 5.543 1.00 0.00 O ATOM 372 CG2 THR A 30 0.805 14.250 5.916 1.00 0.00 C ATOM 0 H THR A 30 1.598 15.892 8.289 1.00 0.00 H new ATOM 0 HA THR A 30 -1.291 15.922 7.956 1.00 0.00 H new ATOM 0 HB THR A 30 0.753 16.370 6.277 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.020 15.107 4.783 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.123 14.359 4.879 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.678 14.089 6.548 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.132 13.397 6.002 1.00 0.00 H new ATOM 380 N ALA A 31 -1.883 13.472 7.983 1.00 0.00 N ATOM 381 CA ALA A 31 -2.263 12.102 8.266 1.00 0.00 C ATOM 382 C ALA A 31 -2.243 11.286 6.982 1.00 0.00 C ATOM 383 O ALA A 31 -2.743 11.734 5.952 1.00 0.00 O ATOM 384 CB ALA A 31 -3.650 12.081 8.900 1.00 0.00 C ATOM 0 H ALA A 31 -2.649 14.061 7.656 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.553 11.660 8.964 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.937 11.051 9.113 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.635 12.653 9.828 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.371 12.524 8.213 1.00 0.00 H new ATOM 390 N TYR A 32 -1.665 10.085 7.044 1.00 0.00 N ATOM 391 CA TYR A 32 -1.583 9.217 5.886 1.00 0.00 C ATOM 392 C TYR A 32 -2.163 7.850 6.224 1.00 0.00 C ATOM 393 O TYR A 32 -2.089 7.408 7.368 1.00 0.00 O ATOM 394 CB TYR A 32 -0.127 9.093 5.447 1.00 0.00 C ATOM 395 CG TYR A 32 0.407 10.334 4.773 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.207 10.820 3.613 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.517 10.999 5.309 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.288 11.971 2.988 1.00 0.00 C ATOM 399 CE2 TYR A 32 2.012 12.149 4.684 1.00 0.00 C ATOM 400 CZ TYR A 32 1.398 12.635 3.523 1.00 0.00 C ATOM 401 OH TYR A 32 1.881 13.756 2.914 1.00 0.00 O ATOM 0 H TYR A 32 -1.248 9.698 7.890 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.161 9.642 5.066 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.489 8.869 6.318 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.032 8.249 4.764 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.063 10.307 3.200 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.991 10.624 6.204 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.187 12.346 2.093 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.868 12.662 5.097 1.00 0.00 H new ATOM 0 HH TYR A 32 1.709 13.705 1.951 1.00 0.00 H new ATOM 411 N ASP A 33 -2.741 7.182 5.224 1.00 0.00 N ATOM 412 CA ASP A 33 -3.330 5.872 5.419 1.00 0.00 C ATOM 413 C ASP A 33 -2.585 4.842 4.582 1.00 0.00 C ATOM 414 O ASP A 33 -2.624 4.892 3.355 1.00 0.00 O ATOM 415 CB ASP A 33 -4.806 5.917 5.035 1.00 0.00 C ATOM 416 CG ASP A 33 -5.676 6.205 6.250 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.516 7.309 6.814 1.00 0.00 O ATOM 418 OD2 ASP A 33 -6.485 5.316 6.592 1.00 0.00 O ATOM 0 H ASP A 33 -2.810 7.536 4.270 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.250 5.585 6.467 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.966 6.685 4.278 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.099 4.966 4.590 1.00 0.00 H new ATOM 423 N VAL A 34 -1.905 3.907 5.250 1.00 0.00 N ATOM 424 CA VAL A 34 -1.155 2.873 4.566 1.00 0.00 C ATOM 425 C VAL A 34 -1.991 1.603 4.480 1.00 0.00 C ATOM 426 O VAL A 34 -2.738 1.286 5.403 1.00 0.00 O ATOM 427 CB VAL A 34 0.149 2.612 5.314 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.228 2.186 4.322 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.590 3.887 6.027 1.00 0.00 C ATOM 0 H VAL A 34 -1.864 3.852 6.268 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.918 3.199 3.553 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.005 1.820 6.047 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.160 1.999 4.856 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.914 1.276 3.811 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.382 2.978 3.589 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.522 3.701 6.562 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.744 4.679 5.294 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.180 4.193 6.735 1.00 0.00 H new ATOM 439 N GLY A 35 -1.864 0.876 3.368 1.00 0.00 N ATOM 440 CA GLY A 35 -2.609 -0.352 3.173 1.00 0.00 C ATOM 441 C GLY A 35 -2.096 -1.090 1.944 1.00 0.00 C ATOM 442 O GLY A 35 -1.430 -0.501 1.096 1.00 0.00 O ATOM 0 H GLY A 35 -1.249 1.124 2.593 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.514 -0.987 4.054 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.669 -0.128 3.055 1.00 0.00 H new ATOM 446 N GLN A 36 -2.409 -2.385 1.851 1.00 0.00 N ATOM 447 CA GLN A 36 -1.979 -3.195 0.729 1.00 0.00 C ATOM 448 C GLN A 36 -3.180 -3.571 -0.128 1.00 0.00 C ATOM 449 O GLN A 36 -4.097 -4.240 0.344 1.00 0.00 O ATOM 450 CB GLN A 36 -1.273 -4.445 1.248 1.00 0.00 C ATOM 451 CG GLN A 36 -0.859 -5.323 0.070 1.00 0.00 C ATOM 452 CD GLN A 36 -0.395 -6.690 0.550 1.00 0.00 C ATOM 453 OE1 GLN A 36 0.409 -6.787 1.474 1.00 0.00 O ATOM 454 NE2 GLN A 36 -0.904 -7.751 -0.083 1.00 0.00 N ATOM 0 H GLN A 36 -2.961 -2.888 2.546 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.282 -2.628 0.112 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.396 -4.164 1.832 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.935 -4.999 1.913 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.699 -5.439 -0.615 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.058 -4.837 -0.487 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.569 -7.620 -0.845 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.628 -8.692 0.196 1.00 0.00 H new ATOM 463 N CYS A 37 -3.173 -3.138 -1.391 1.00 0.00 N ATOM 464 CA CYS A 37 -4.258 -3.430 -2.306 1.00 0.00 C ATOM 465 C CYS A 37 -3.747 -4.295 -3.449 1.00 0.00 C ATOM 466 O CYS A 37 -2.590 -4.183 -3.846 1.00 0.00 O ATOM 467 CB CYS A 37 -4.841 -2.123 -2.835 1.00 0.00 C ATOM 468 SG CYS A 37 -5.508 -1.040 -1.547 1.00 0.00 S ATOM 0 H CYS A 37 -2.420 -2.582 -1.796 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.043 -3.977 -1.785 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.066 -1.586 -3.381 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.633 -2.353 -3.548 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.788 -1.238 -1.433 1.00 0.00 H new ATOM 473 N ALA A 38 -4.615 -5.161 -3.979 1.00 0.00 N ATOM 474 CA ALA A 38 -4.249 -6.040 -5.071 1.00 0.00 C ATOM 475 C ALA A 38 -5.177 -5.807 -6.254 1.00 0.00 C ATOM 476 O ALA A 38 -6.377 -5.611 -6.075 1.00 0.00 O ATOM 477 CB ALA A 38 -4.324 -7.490 -4.602 1.00 0.00 C ATOM 0 H ALA A 38 -5.579 -5.265 -3.661 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.228 -5.827 -5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.049 -8.153 -5.423 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.637 -7.639 -3.769 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.340 -7.716 -4.279 1.00 0.00 H new ATOM 483 N TRP A 39 -4.620 -5.828 -7.467 1.00 0.00 N ATOM 484 CA TRP A 39 -5.404 -5.620 -8.668 1.00 0.00 C ATOM 485 C TRP A 39 -6.414 -6.747 -8.830 1.00 0.00 C ATOM 486 O TRP A 39 -6.049 -7.920 -8.797 1.00 0.00 O ATOM 487 CB TRP A 39 -4.473 -5.551 -9.875 1.00 0.00 C ATOM 488 CG TRP A 39 -5.069 -6.036 -11.158 1.00 0.00 C ATOM 489 CD1 TRP A 39 -6.359 -5.883 -11.526 1.00 0.00 C ATOM 490 CD2 TRP A 39 -4.423 -6.752 -12.255 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.556 -6.452 -12.767 1.00 0.00 N ATOM 492 CE2 TRP A 39 -5.393 -7.003 -13.263 1.00 0.00 C ATOM 493 CE3 TRP A 39 -3.119 -7.215 -12.501 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -5.086 -7.676 -14.449 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.800 -7.891 -13.688 1.00 0.00 C ATOM 496 CH2 TRP A 39 -3.779 -8.123 -14.662 1.00 0.00 C ATOM 0 H TRP A 39 -3.627 -5.988 -7.635 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.950 -4.680 -8.591 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.151 -4.518 -10.008 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.580 -6.138 -9.661 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.120 -5.391 -10.939 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.451 -6.464 -13.257 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -2.349 -7.047 -11.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.850 -7.849 -15.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.790 -8.236 -13.852 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -3.525 -8.645 -15.573 1.00 0.00 H new ATOM 507 N VAL A 40 -7.687 -6.388 -9.005 1.00 0.00 N ATOM 508 CA VAL A 40 -8.743 -7.367 -9.171 1.00 0.00 C ATOM 509 C VAL A 40 -9.235 -7.354 -10.611 1.00 0.00 C ATOM 510 O VAL A 40 -9.519 -8.405 -11.181 1.00 0.00 O ATOM 511 CB VAL A 40 -9.883 -7.053 -8.206 1.00 0.00 C ATOM 512 CG1 VAL A 40 -11.190 -6.935 -8.984 1.00 0.00 C ATOM 513 CG2 VAL A 40 -10.002 -8.174 -7.178 1.00 0.00 C ATOM 0 H VAL A 40 -8.005 -5.419 -9.034 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.360 -8.363 -8.948 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.678 -6.112 -7.695 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.004 -6.711 -8.295 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.105 -6.134 -9.719 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.396 -7.876 -9.495 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.816 -7.950 -6.488 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.207 -9.115 -7.688 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.068 -8.258 -6.622 1.00 0.00 H new ATOM 523 N ASP A 41 -9.336 -6.160 -11.199 1.00 0.00 N ATOM 524 CA ASP A 41 -9.794 -6.017 -12.566 1.00 0.00 C ATOM 525 C ASP A 41 -9.184 -4.768 -13.185 1.00 0.00 C ATOM 526 O ASP A 41 -8.405 -4.070 -12.540 1.00 0.00 O ATOM 527 CB ASP A 41 -11.318 -5.943 -12.587 1.00 0.00 C ATOM 528 CG ASP A 41 -11.890 -6.828 -13.684 1.00 0.00 C ATOM 529 OD1 ASP A 41 -11.084 -7.289 -14.521 1.00 0.00 O ATOM 530 OD2 ASP A 41 -13.124 -7.028 -13.667 1.00 0.00 O ATOM 0 H ASP A 41 -9.103 -5.279 -10.740 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.478 -6.880 -13.152 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.714 -6.253 -11.620 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.634 -4.912 -12.745 1.00 0.00 H new ATOM 535 N THR A 42 -9.540 -4.486 -14.441 1.00 0.00 N ATOM 536 CA THR A 42 -9.025 -3.323 -15.135 1.00 0.00 C ATOM 537 C THR A 42 -9.621 -2.056 -14.537 1.00 0.00 C ATOM 538 O THR A 42 -10.815 -1.802 -14.679 1.00 0.00 O ATOM 539 CB THR A 42 -9.360 -3.428 -16.620 1.00 0.00 C ATOM 540 OG1 THR A 42 -8.641 -4.500 -17.188 1.00 0.00 O ATOM 541 CG2 THR A 42 -8.975 -2.129 -17.322 1.00 0.00 C ATOM 0 H THR A 42 -10.184 -5.054 -14.991 1.00 0.00 H new ATOM 0 HA THR A 42 -7.942 -3.279 -15.021 1.00 0.00 H new ATOM 0 HB THR A 42 -10.429 -3.602 -16.740 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.857 -4.570 -18.141 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.214 -2.204 -18.383 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.530 -1.300 -16.883 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.906 -1.954 -17.203 1.00 0.00 H new ATOM 549 N GLY A 43 -8.785 -1.260 -13.866 1.00 0.00 N ATOM 550 CA GLY A 43 -9.236 -0.027 -13.253 1.00 0.00 C ATOM 551 C GLY A 43 -9.931 -0.319 -11.930 1.00 0.00 C ATOM 552 O GLY A 43 -10.547 0.566 -11.340 1.00 0.00 O ATOM 0 H GLY A 43 -7.792 -1.455 -13.738 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.387 0.637 -13.087 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.920 0.492 -13.924 1.00 0.00 H new ATOM 556 N VAL A 44 -9.830 -1.567 -11.465 1.00 0.00 N ATOM 557 CA VAL A 44 -10.447 -1.970 -10.217 1.00 0.00 C ATOM 558 C VAL A 44 -9.482 -2.839 -9.423 1.00 0.00 C ATOM 559 O VAL A 44 -9.001 -3.852 -9.924 1.00 0.00 O ATOM 560 CB VAL A 44 -11.740 -2.726 -10.511 1.00 0.00 C ATOM 561 CG1 VAL A 44 -11.514 -4.221 -10.302 1.00 0.00 C ATOM 562 CG2 VAL A 44 -12.838 -2.241 -9.569 1.00 0.00 C ATOM 0 H VAL A 44 -9.323 -2.312 -11.943 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.685 -1.088 -9.622 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.040 -2.545 -11.543 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -12.437 -4.761 -10.512 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.730 -4.568 -10.975 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.214 -4.403 -9.270 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.762 -2.781 -9.778 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.538 -2.422 -8.537 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -13.000 -1.173 -9.718 1.00 0.00 H new ATOM 572 N LEU A 45 -9.201 -2.439 -8.181 1.00 0.00 N ATOM 573 CA LEU A 45 -8.297 -3.181 -7.325 1.00 0.00 C ATOM 574 C LEU A 45 -8.915 -3.351 -5.944 1.00 0.00 C ATOM 575 O LEU A 45 -9.493 -2.412 -5.401 1.00 0.00 O ATOM 576 CB LEU A 45 -6.964 -2.444 -7.233 1.00 0.00 C ATOM 577 CG LEU A 45 -7.012 -1.448 -6.078 1.00 0.00 C ATOM 578 CD1 LEU A 45 -5.594 -1.166 -5.590 1.00 0.00 C ATOM 579 CD2 LEU A 45 -7.655 -0.149 -6.552 1.00 0.00 C ATOM 0 H LEU A 45 -9.593 -1.601 -7.752 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.122 -4.171 -7.747 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.153 -3.156 -7.080 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.759 -1.923 -8.168 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.600 -1.867 -5.262 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.628 -0.455 -4.765 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.135 -2.094 -5.250 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.005 -0.747 -6.406 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.689 0.562 -5.727 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.068 0.271 -7.369 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.668 -0.350 -6.900 1.00 0.00 H new ATOM 591 N ALA A 46 -8.792 -4.553 -5.377 1.00 0.00 N ATOM 592 CA ALA A 46 -9.338 -4.839 -4.066 1.00 0.00 C ATOM 593 C ALA A 46 -8.342 -4.427 -2.991 1.00 0.00 C ATOM 594 O ALA A 46 -7.142 -4.359 -3.248 1.00 0.00 O ATOM 595 CB ALA A 46 -9.659 -6.328 -3.964 1.00 0.00 C ATOM 0 H ALA A 46 -8.315 -5.341 -5.815 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.257 -4.271 -3.918 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.070 -6.545 -2.978 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.389 -6.596 -4.728 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.748 -6.908 -4.113 1.00 0.00 H new ATOM 601 N CYS A 47 -8.843 -4.153 -1.785 1.00 0.00 N ATOM 602 CA CYS A 47 -7.998 -3.750 -0.679 1.00 0.00 C ATOM 603 C CYS A 47 -8.150 -4.735 0.471 1.00 0.00 C ATOM 604 O CYS A 47 -9.161 -5.426 0.569 1.00 0.00 O ATOM 605 CB CYS A 47 -8.379 -2.340 -0.237 1.00 0.00 C ATOM 606 SG CYS A 47 -7.877 -1.044 -1.397 1.00 0.00 S ATOM 0 H CYS A 47 -9.836 -4.206 -1.557 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.955 -3.748 -0.995 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.459 -2.293 -0.100 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.926 -2.140 0.734 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.701 -0.599 -1.068 1.00 0.00 H new ATOM 611 N ASN A 48 -7.140 -4.800 1.342 1.00 0.00 N ATOM 612 CA ASN A 48 -7.169 -5.699 2.478 1.00 0.00 C ATOM 613 C ASN A 48 -7.031 -4.907 3.770 1.00 0.00 C ATOM 614 O ASN A 48 -5.961 -4.381 4.069 1.00 0.00 O ATOM 615 CB ASN A 48 -6.040 -6.718 2.346 1.00 0.00 C ATOM 616 CG ASN A 48 -5.939 -7.581 3.595 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.901 -7.695 4.352 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.771 -8.191 3.809 1.00 0.00 N ATOM 0 H ASN A 48 -6.293 -4.235 1.274 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.121 -6.229 2.502 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.215 -7.350 1.475 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.095 -6.201 2.179 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.648 -8.783 4.630 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.002 -8.065 3.151 1.00 0.00 H new ATOM 625 N PRO A 49 -8.120 -4.824 4.539 1.00 0.00 N ATOM 626 CA PRO A 49 -8.176 -4.117 5.800 1.00 0.00 C ATOM 627 C PRO A 49 -7.404 -4.895 6.856 1.00 0.00 C ATOM 628 O PRO A 49 -7.333 -4.477 8.010 1.00 0.00 O ATOM 629 CB PRO A 49 -9.662 -4.051 6.146 1.00 0.00 C ATOM 630 CG PRO A 49 -10.216 -5.320 5.500 1.00 0.00 C ATOM 631 CD PRO A 49 -9.394 -5.430 4.218 1.00 0.00 C ATOM 0 HA PRO A 49 -7.732 -3.123 5.749 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.826 -4.041 7.223 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.132 -3.154 5.743 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.085 -6.191 6.141 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.283 -5.236 5.291 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.272 -6.470 3.915 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.880 -4.912 3.391 1.00 0.00 H new ATOM 639 N ALA A 50 -6.825 -6.030 6.459 1.00 0.00 N ATOM 640 CA ALA A 50 -6.065 -6.861 7.371 1.00 0.00 C ATOM 641 C ALA A 50 -4.611 -6.411 7.388 1.00 0.00 C ATOM 642 O ALA A 50 -3.860 -6.766 8.293 1.00 0.00 O ATOM 643 CB ALA A 50 -6.175 -8.320 6.941 1.00 0.00 C ATOM 0 H ALA A 50 -6.873 -6.389 5.505 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.467 -6.763 8.379 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.603 -8.945 7.627 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.221 -8.626 6.957 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.779 -8.433 5.932 1.00 0.00 H new ATOM 649 N ASP A 51 -4.215 -5.627 6.382 1.00 0.00 N ATOM 650 CA ASP A 51 -2.855 -5.136 6.286 1.00 0.00 C ATOM 651 C ASP A 51 -2.865 -3.622 6.123 1.00 0.00 C ATOM 652 O ASP A 51 -1.952 -3.054 5.529 1.00 0.00 O ATOM 653 CB ASP A 51 -2.156 -5.802 5.105 1.00 0.00 C ATOM 654 CG ASP A 51 -2.993 -5.681 3.839 1.00 0.00 C ATOM 655 OD1 ASP A 51 -3.697 -4.655 3.720 1.00 0.00 O ATOM 656 OD2 ASP A 51 -2.913 -6.617 3.014 1.00 0.00 O ATOM 0 H ASP A 51 -4.826 -5.323 5.624 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.310 -5.381 7.198 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.181 -5.340 4.947 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.978 -6.854 5.329 1.00 0.00 H new ATOM 661 N PHE A 52 -3.903 -2.969 6.652 1.00 0.00 N ATOM 662 CA PHE A 52 -4.023 -1.528 6.561 1.00 0.00 C ATOM 663 C PHE A 52 -3.551 -0.887 7.859 1.00 0.00 C ATOM 664 O PHE A 52 -4.123 -1.131 8.918 1.00 0.00 O ATOM 665 CB PHE A 52 -5.475 -1.158 6.272 1.00 0.00 C ATOM 666 CG PHE A 52 -6.187 -0.544 7.454 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.718 0.652 8.010 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.319 -1.169 7.991 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.380 1.222 9.104 1.00 0.00 C ATOM 670 CE2 PHE A 52 -7.981 -0.599 9.085 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.511 0.596 9.642 1.00 0.00 C ATOM 0 H PHE A 52 -4.669 -3.425 7.147 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.398 -1.157 5.749 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.504 -0.458 5.437 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.014 -2.052 5.958 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.846 1.135 7.595 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.682 -2.091 7.561 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.018 2.145 9.533 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.854 -1.081 9.499 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.021 1.035 10.487 1.00 0.00 H new ATOM 681 N SER A 53 -2.502 -0.066 7.773 1.00 0.00 N ATOM 682 CA SER A 53 -1.960 0.605 8.938 1.00 0.00 C ATOM 683 C SER A 53 -2.183 2.106 8.820 1.00 0.00 C ATOM 684 O SER A 53 -2.786 2.572 7.856 1.00 0.00 O ATOM 685 CB SER A 53 -0.473 0.287 9.061 1.00 0.00 C ATOM 686 OG SER A 53 0.031 0.852 10.251 1.00 0.00 O ATOM 0 H SER A 53 -2.015 0.145 6.902 1.00 0.00 H new ATOM 0 HA SER A 53 -2.469 0.252 9.835 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.320 -0.792 9.065 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.067 0.683 8.201 1.00 0.00 H new ATOM 0 HG SER A 53 0.986 0.647 10.332 1.00 0.00 H new ATOM 692 N SER A 54 -1.693 2.863 9.804 1.00 0.00 N ATOM 693 CA SER A 54 -1.839 4.304 9.804 1.00 0.00 C ATOM 694 C SER A 54 -0.618 4.947 10.447 1.00 0.00 C ATOM 695 O SER A 54 0.087 4.307 11.224 1.00 0.00 O ATOM 696 CB SER A 54 -3.110 4.686 10.557 1.00 0.00 C ATOM 697 OG SER A 54 -2.980 4.322 11.913 1.00 0.00 O ATOM 0 H SER A 54 -1.191 2.492 10.610 1.00 0.00 H new ATOM 0 HA SER A 54 -1.917 4.665 8.778 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.287 5.758 10.473 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.972 4.185 10.116 1.00 0.00 H new ATOM 0 HG SER A 54 -3.795 4.569 12.398 1.00 0.00 H new ATOM 703 N VAL A 55 -0.370 6.218 10.121 1.00 0.00 N ATOM 704 CA VAL A 55 0.761 6.941 10.667 1.00 0.00 C ATOM 705 C VAL A 55 0.617 8.426 10.365 1.00 0.00 C ATOM 706 O VAL A 55 -0.114 8.808 9.454 1.00 0.00 O ATOM 707 CB VAL A 55 2.052 6.390 10.068 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.962 6.422 8.546 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.230 7.247 10.526 1.00 0.00 C ATOM 0 H VAL A 55 -0.945 6.762 9.478 1.00 0.00 H new ATOM 0 HA VAL A 55 0.794 6.812 11.749 1.00 0.00 H new ATOM 0 HB VAL A 55 2.197 5.362 10.401 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.884 6.028 8.119 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.121 5.811 8.218 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.817 7.449 8.212 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.153 6.855 10.099 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.084 8.274 10.193 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.295 7.224 11.614 1.00 0.00 H new ATOM 719 N THR A 56 1.316 9.264 11.133 1.00 0.00 N ATOM 720 CA THR A 56 1.260 10.699 10.940 1.00 0.00 C ATOM 721 C THR A 56 2.669 11.262 10.821 1.00 0.00 C ATOM 722 O THR A 56 3.562 10.871 11.570 1.00 0.00 O ATOM 723 CB THR A 56 0.520 11.340 12.111 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.822 10.907 12.112 1.00 0.00 O ATOM 725 CG2 THR A 56 0.563 12.859 11.970 1.00 0.00 C ATOM 0 H THR A 56 1.926 8.965 11.894 1.00 0.00 H new ATOM 0 HA THR A 56 0.723 10.924 10.019 1.00 0.00 H new ATOM 0 HB THR A 56 0.998 11.048 13.046 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.297 11.317 12.865 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.035 13.317 12.806 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.600 13.195 11.968 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.085 13.151 11.035 1.00 0.00 H new ATOM 733 N ALA A 57 2.866 12.183 9.875 1.00 0.00 N ATOM 734 CA ALA A 57 4.163 12.794 9.661 1.00 0.00 C ATOM 735 C ALA A 57 4.446 13.802 10.765 1.00 0.00 C ATOM 736 O ALA A 57 3.572 14.584 11.134 1.00 0.00 O ATOM 737 CB ALA A 57 4.187 13.469 8.293 1.00 0.00 C ATOM 0 H ALA A 57 2.135 12.518 9.247 1.00 0.00 H new ATOM 0 HA ALA A 57 4.939 12.029 9.687 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.162 13.929 8.131 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.003 12.726 7.517 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.413 14.235 8.252 1.00 0.00 H new ATOM 743 N ASP A 58 5.672 13.783 11.294 1.00 0.00 N ATOM 744 CA ASP A 58 6.062 14.692 12.353 1.00 0.00 C ATOM 745 C ASP A 58 6.250 16.092 11.785 1.00 0.00 C ATOM 746 O ASP A 58 5.989 16.326 10.608 1.00 0.00 O ATOM 747 CB ASP A 58 7.350 14.194 13.001 1.00 0.00 C ATOM 748 CG ASP A 58 8.439 13.985 11.958 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.447 14.766 10.982 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.242 13.048 12.156 1.00 0.00 O ATOM 0 H ASP A 58 6.408 13.142 10.999 1.00 0.00 H new ATOM 0 HA ASP A 58 5.281 14.730 13.112 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.688 14.914 13.746 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.159 13.258 13.526 1.00 0.00 H new ATOM 755 N ALA A 59 6.706 17.023 12.627 1.00 0.00 N ATOM 756 CA ALA A 59 6.925 18.392 12.206 1.00 0.00 C ATOM 757 C ALA A 59 8.004 18.435 11.134 1.00 0.00 C ATOM 758 O ALA A 59 8.044 19.363 10.328 1.00 0.00 O ATOM 759 CB ALA A 59 7.327 19.236 13.412 1.00 0.00 C ATOM 0 H ALA A 59 6.929 16.844 13.606 1.00 0.00 H new ATOM 0 HA ALA A 59 6.006 18.799 11.785 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.492 20.266 13.096 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.532 19.208 14.157 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.245 18.838 13.845 1.00 0.00 H new ATOM 765 N ASN A 60 8.880 17.428 11.125 1.00 0.00 N ATOM 766 CA ASN A 60 9.952 17.359 10.152 1.00 0.00 C ATOM 767 C ASN A 60 9.398 16.940 8.798 1.00 0.00 C ATOM 768 O ASN A 60 10.116 16.950 7.800 1.00 0.00 O ATOM 769 CB ASN A 60 11.009 16.368 10.633 1.00 0.00 C ATOM 770 CG ASN A 60 12.410 16.882 10.335 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.599 18.073 10.096 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.395 15.981 10.352 1.00 0.00 N ATOM 0 H ASN A 60 8.861 16.651 11.786 1.00 0.00 H new ATOM 0 HA ASN A 60 10.413 18.341 10.044 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.898 16.203 11.705 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.859 15.405 10.145 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.354 16.270 10.161 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.188 15.003 10.556 1.00 0.00 H new ATOM 779 N GLY A 61 8.115 16.572 8.763 1.00 0.00 N ATOM 780 CA GLY A 61 7.476 16.154 7.532 1.00 0.00 C ATOM 781 C GLY A 61 7.943 14.759 7.142 1.00 0.00 C ATOM 782 O GLY A 61 8.033 14.439 5.959 1.00 0.00 O ATOM 0 H GLY A 61 7.504 16.558 9.580 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.393 16.161 7.656 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.710 16.860 6.735 1.00 0.00 H new ATOM 786 N SER A 62 8.240 13.927 8.143 1.00 0.00 N ATOM 787 CA SER A 62 8.695 12.573 7.901 1.00 0.00 C ATOM 788 C SER A 62 7.878 11.596 8.736 1.00 0.00 C ATOM 789 O SER A 62 7.630 11.841 9.914 1.00 0.00 O ATOM 790 CB SER A 62 10.178 12.466 8.242 1.00 0.00 C ATOM 791 OG SER A 62 10.374 12.799 9.598 1.00 0.00 O ATOM 0 H SER A 62 8.170 14.177 9.129 1.00 0.00 H new ATOM 0 HA SER A 62 8.559 12.323 6.849 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.534 11.454 8.050 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.758 13.134 7.605 1.00 0.00 H new ATOM 0 HG SER A 62 9.540 12.660 10.093 1.00 0.00 H new ATOM 797 N ALA A 63 7.461 10.487 8.121 1.00 0.00 N ATOM 798 CA ALA A 63 6.676 9.481 8.808 1.00 0.00 C ATOM 799 C ALA A 63 7.395 8.140 8.752 1.00 0.00 C ATOM 800 O ALA A 63 8.311 7.958 7.955 1.00 0.00 O ATOM 801 CB ALA A 63 5.298 9.384 8.161 1.00 0.00 C ATOM 0 H ALA A 63 7.659 10.270 7.144 1.00 0.00 H new ATOM 0 HA ALA A 63 6.552 9.761 9.854 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.706 8.628 8.677 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.795 10.348 8.231 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.407 9.107 7.113 1.00 0.00 H new ATOM 807 N SER A 64 6.976 7.201 9.604 1.00 0.00 N ATOM 808 CA SER A 64 7.580 5.885 9.646 1.00 0.00 C ATOM 809 C SER A 64 6.533 4.848 10.028 1.00 0.00 C ATOM 810 O SER A 64 5.840 5.003 11.031 1.00 0.00 O ATOM 811 CB SER A 64 8.731 5.886 10.648 1.00 0.00 C ATOM 812 OG SER A 64 8.286 5.352 11.875 1.00 0.00 O ATOM 0 H SER A 64 6.218 7.337 10.273 1.00 0.00 H new ATOM 0 HA SER A 64 7.973 5.630 8.662 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.563 5.297 10.263 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.100 6.901 10.793 1.00 0.00 H new ATOM 0 HG SER A 64 9.025 5.351 12.519 1.00 0.00 H new ATOM 818 N THR A 65 6.420 3.787 9.226 1.00 0.00 N ATOM 819 CA THR A 65 5.460 2.734 9.488 1.00 0.00 C ATOM 820 C THR A 65 5.882 1.458 8.772 1.00 0.00 C ATOM 821 O THR A 65 6.797 1.477 7.951 1.00 0.00 O ATOM 822 CB THR A 65 4.076 3.181 9.026 1.00 0.00 C ATOM 823 OG1 THR A 65 3.214 3.263 10.138 1.00 0.00 O ATOM 824 CG2 THR A 65 3.522 2.170 8.026 1.00 0.00 C ATOM 0 H THR A 65 6.987 3.642 8.390 1.00 0.00 H new ATOM 0 HA THR A 65 5.423 2.530 10.558 1.00 0.00 H new ATOM 0 HB THR A 65 4.150 4.159 8.550 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.623 3.827 10.828 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.533 2.489 7.696 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.189 2.106 7.166 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.448 1.192 8.501 1.00 0.00 H new ATOM 832 N SER A 66 5.210 0.348 9.084 1.00 0.00 N ATOM 833 CA SER A 66 5.516 -0.928 8.470 1.00 0.00 C ATOM 834 C SER A 66 4.251 -1.534 7.878 1.00 0.00 C ATOM 835 O SER A 66 3.195 -1.505 8.505 1.00 0.00 O ATOM 836 CB SER A 66 6.126 -1.861 9.512 1.00 0.00 C ATOM 837 OG SER A 66 6.529 -1.110 10.636 1.00 0.00 O ATOM 0 H SER A 66 4.449 0.316 9.762 1.00 0.00 H new ATOM 0 HA SER A 66 6.236 -0.784 7.665 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.399 -2.618 9.808 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.981 -2.388 9.088 1.00 0.00 H new ATOM 0 HG SER A 66 6.919 -1.709 11.307 1.00 0.00 H new ATOM 843 N LEU A 67 4.361 -2.084 6.666 1.00 0.00 N ATOM 844 CA LEU A 67 3.229 -2.693 5.998 1.00 0.00 C ATOM 845 C LEU A 67 3.434 -4.199 5.904 1.00 0.00 C ATOM 846 O LEU A 67 4.407 -4.659 5.310 1.00 0.00 O ATOM 847 CB LEU A 67 3.070 -2.082 4.608 1.00 0.00 C ATOM 848 CG LEU A 67 1.597 -2.100 4.210 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.117 -3.545 4.105 1.00 0.00 C ATOM 850 CD2 LEU A 67 0.776 -1.366 5.266 1.00 0.00 C ATOM 0 H LEU A 67 5.230 -2.115 6.133 1.00 0.00 H new ATOM 0 HA LEU A 67 2.320 -2.505 6.570 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.446 -1.059 4.603 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.661 -2.642 3.883 1.00 0.00 H new ATOM 0 HG LEU A 67 1.474 -1.605 3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.065 -3.559 3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.704 -4.069 3.351 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.239 -4.040 5.068 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.276 -1.378 4.982 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.898 -1.860 6.230 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.119 -0.334 5.341 1.00 0.00 H new ATOM 862 N THR A 68 2.514 -4.966 6.492 1.00 0.00 N ATOM 863 CA THR A 68 2.601 -6.412 6.469 1.00 0.00 C ATOM 864 C THR A 68 2.316 -6.927 5.065 1.00 0.00 C ATOM 865 O THR A 68 1.221 -6.734 4.541 1.00 0.00 O ATOM 866 CB THR A 68 1.610 -6.997 7.471 1.00 0.00 C ATOM 867 OG1 THR A 68 1.277 -8.313 7.089 1.00 0.00 O ATOM 868 CG2 THR A 68 0.347 -6.140 7.496 1.00 0.00 C ATOM 0 H THR A 68 1.702 -4.601 6.989 1.00 0.00 H new ATOM 0 HA THR A 68 3.608 -6.722 6.749 1.00 0.00 H new ATOM 0 HB THR A 68 2.061 -7.010 8.463 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.380 -8.913 7.857 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.362 -6.557 8.212 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.604 -5.122 7.791 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.104 -6.128 6.504 1.00 0.00 H new ATOM 876 N VAL A 69 3.306 -7.584 4.457 1.00 0.00 N ATOM 877 CA VAL A 69 3.159 -8.123 3.120 1.00 0.00 C ATOM 878 C VAL A 69 2.299 -9.377 3.163 1.00 0.00 C ATOM 879 O VAL A 69 2.564 -10.288 3.944 1.00 0.00 O ATOM 880 CB VAL A 69 4.537 -8.431 2.542 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.520 -9.813 1.895 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.894 -7.382 1.493 1.00 0.00 C ATOM 0 H VAL A 69 4.219 -7.752 4.879 1.00 0.00 H new ATOM 0 HA VAL A 69 2.667 -7.391 2.480 1.00 0.00 H new ATOM 0 HB VAL A 69 5.279 -8.413 3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.504 -10.033 1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.265 -10.562 2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.779 -9.832 1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.878 -7.601 1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.153 -7.399 0.694 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.906 -6.395 1.955 1.00 0.00 H new ATOM 892 N ARG A 70 1.265 -9.423 2.319 1.00 0.00 N ATOM 893 CA ARG A 70 0.372 -10.563 2.265 1.00 0.00 C ATOM 894 C ARG A 70 0.460 -11.222 0.896 1.00 0.00 C ATOM 895 O ARG A 70 0.675 -10.547 -0.108 1.00 0.00 O ATOM 896 CB ARG A 70 -1.055 -10.104 2.553 1.00 0.00 C ATOM 897 CG ARG A 70 -1.356 -10.280 4.038 1.00 0.00 C ATOM 898 CD ARG A 70 -0.111 -9.941 4.854 1.00 0.00 C ATOM 899 NE ARG A 70 -0.466 -9.565 6.222 1.00 0.00 N ATOM 900 CZ ARG A 70 -0.799 -10.464 7.159 1.00 0.00 C ATOM 901 NH1 ARG A 70 -0.814 -11.769 6.859 1.00 0.00 N ATOM 902 NH2 ARG A 70 -1.115 -10.057 8.396 1.00 0.00 N ATOM 0 H ARG A 70 1.032 -8.676 1.665 1.00 0.00 H new ATOM 0 HA ARG A 70 0.664 -11.295 3.018 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.177 -9.059 2.268 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.761 -10.682 1.957 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.183 -9.634 4.331 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.667 -11.306 4.238 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.561 -10.799 4.872 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.429 -9.123 4.377 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.460 -8.577 6.474 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.572 -12.079 5.918 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.067 -12.453 7.572 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.102 -9.063 8.625 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.368 -10.741 9.109 1.00 0.00 H new ATOM 916 N ARG A 71 0.293 -12.546 0.858 1.00 0.00 N ATOM 917 CA ARG A 71 0.355 -13.289 -0.384 1.00 0.00 C ATOM 918 C ARG A 71 -1.033 -13.375 -1.003 1.00 0.00 C ATOM 919 O ARG A 71 -1.171 -13.703 -2.180 1.00 0.00 O ATOM 920 CB ARG A 71 0.914 -14.683 -0.115 1.00 0.00 C ATOM 921 CG ARG A 71 -0.082 -15.476 0.727 1.00 0.00 C ATOM 922 CD ARG A 71 -0.844 -16.449 -0.169 1.00 0.00 C ATOM 923 NE ARG A 71 -0.948 -17.768 0.457 1.00 0.00 N ATOM 924 CZ ARG A 71 -1.553 -18.806 -0.135 1.00 0.00 C ATOM 925 NH1 ARG A 71 -2.095 -18.661 -1.352 1.00 0.00 N ATOM 926 NH2 ARG A 71 -1.617 -19.990 0.490 1.00 0.00 N ATOM 0 H ARG A 71 0.113 -13.120 1.682 1.00 0.00 H new ATOM 0 HA ARG A 71 1.013 -12.777 -1.086 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.103 -15.199 -1.056 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.869 -14.610 0.405 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.442 -16.022 1.512 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.778 -14.798 1.221 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.842 -16.058 -0.370 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.337 -16.538 -1.130 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.543 -17.902 1.383 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.047 -17.760 -1.828 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.556 -19.452 -1.803 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.205 -20.101 1.417 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.078 -20.780 0.039 1.00 0.00 H new ATOM 940 N SER A 72 -2.063 -13.080 -0.207 1.00 0.00 N ATOM 941 CA SER A 72 -3.432 -13.125 -0.681 1.00 0.00 C ATOM 942 C SER A 72 -4.379 -12.713 0.436 1.00 0.00 C ATOM 943 O SER A 72 -4.052 -12.849 1.613 1.00 0.00 O ATOM 944 CB SER A 72 -3.754 -14.534 -1.172 1.00 0.00 C ATOM 945 OG SER A 72 -3.933 -15.387 -0.063 1.00 0.00 O ATOM 0 H SER A 72 -1.966 -12.807 0.771 1.00 0.00 H new ATOM 0 HA SER A 72 -3.557 -12.429 -1.510 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.656 -14.521 -1.784 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.946 -14.905 -1.803 1.00 0.00 H new ATOM 0 HG SER A 72 -4.142 -16.292 -0.377 1.00 0.00 H new ATOM 951 N PHE A 73 -5.559 -12.209 0.066 1.00 0.00 N ATOM 952 CA PHE A 73 -6.545 -11.782 1.038 1.00 0.00 C ATOM 953 C PHE A 73 -7.801 -11.303 0.323 1.00 0.00 C ATOM 954 O PHE A 73 -7.861 -11.313 -0.904 1.00 0.00 O ATOM 955 CB PHE A 73 -5.957 -10.672 1.903 1.00 0.00 C ATOM 956 CG PHE A 73 -5.182 -9.641 1.118 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.779 -8.998 0.027 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.868 -9.327 1.482 1.00 0.00 C ATOM 959 CE1 PHE A 73 -5.061 -8.041 -0.700 1.00 0.00 C ATOM 960 CE2 PHE A 73 -3.150 -8.370 0.755 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.746 -7.727 -0.336 1.00 0.00 C ATOM 0 H PHE A 73 -5.847 -12.090 -0.905 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.815 -12.620 1.681 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.765 -10.175 2.441 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.301 -11.115 2.652 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.793 -9.240 -0.254 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.408 -9.823 2.324 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.521 -7.545 -1.542 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.136 -8.128 1.036 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.192 -6.989 -0.897 1.00 0.00 H new ATOM 971 N GLU A 74 -8.805 -10.881 1.095 1.00 0.00 N ATOM 972 CA GLU A 74 -10.050 -10.400 0.530 1.00 0.00 C ATOM 973 C GLU A 74 -9.811 -9.100 -0.223 1.00 0.00 C ATOM 974 O GLU A 74 -9.310 -8.132 0.347 1.00 0.00 O ATOM 975 CB GLU A 74 -11.070 -10.198 1.648 1.00 0.00 C ATOM 976 CG GLU A 74 -10.385 -9.557 2.851 1.00 0.00 C ATOM 977 CD GLU A 74 -10.128 -10.586 3.942 1.00 0.00 C ATOM 978 OE1 GLU A 74 -11.126 -11.031 4.550 1.00 0.00 O ATOM 979 OE2 GLU A 74 -8.938 -10.909 4.148 1.00 0.00 O ATOM 0 H GLU A 74 -8.772 -10.866 2.114 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.441 -11.135 -0.174 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.886 -9.564 1.300 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.508 -11.155 1.932 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.442 -9.107 2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.008 -8.753 3.243 1.00 0.00 H new ATOM 986 N GLY A 75 -10.170 -9.077 -1.509 1.00 0.00 N ATOM 987 CA GLY A 75 -9.992 -7.895 -2.328 1.00 0.00 C ATOM 988 C GLY A 75 -11.108 -6.895 -2.061 1.00 0.00 C ATOM 989 O GLY A 75 -12.160 -6.951 -2.694 1.00 0.00 O ATOM 0 H GLY A 75 -10.586 -9.870 -1.998 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.026 -7.438 -2.114 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.987 -8.172 -3.382 1.00 0.00 H new ATOM 993 N PHE A 76 -10.877 -5.977 -1.120 1.00 0.00 N ATOM 994 CA PHE A 76 -11.862 -4.972 -0.776 1.00 0.00 C ATOM 995 C PHE A 76 -11.765 -3.801 -1.744 1.00 0.00 C ATOM 996 O PHE A 76 -10.890 -2.949 -1.605 1.00 0.00 O ATOM 997 CB PHE A 76 -11.634 -4.508 0.660 1.00 0.00 C ATOM 998 CG PHE A 76 -12.728 -4.930 1.611 1.00 0.00 C ATOM 999 CD1 PHE A 76 -12.692 -6.200 2.200 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -13.776 -4.051 1.908 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -13.705 -6.591 3.083 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -14.789 -4.442 2.791 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.754 -5.712 3.379 1.00 0.00 C ATOM 0 H PHE A 76 -10.010 -5.916 -0.586 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.863 -5.397 -0.852 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.683 -4.904 1.015 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.551 -3.421 0.673 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.882 -6.878 1.973 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -13.803 -3.071 1.456 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -13.678 -7.571 3.536 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -15.598 -3.764 3.019 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.536 -6.014 4.061 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.669 -3.760 -2.726 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.681 -2.696 -3.710 1.00 0.00 C ATOM 1015 C LEU A 77 -12.761 -1.346 -3.011 1.00 0.00 C ATOM 1016 O LEU A 77 -13.479 -1.198 -2.024 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.867 -2.888 -4.651 1.00 0.00 C ATOM 1018 CG LEU A 77 -14.365 -1.526 -5.125 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -13.316 -0.887 -6.030 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -15.667 -1.703 -5.902 1.00 0.00 C ATOM 0 H LEU A 77 -13.401 -4.458 -2.854 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.761 -2.726 -4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.572 -3.497 -5.506 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.668 -3.422 -4.140 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.541 -0.883 -4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.672 0.086 -6.369 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.386 -0.761 -5.476 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.140 -1.529 -6.893 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.024 -0.730 -6.241 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.491 -2.346 -6.765 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.417 -2.159 -5.256 1.00 0.00 H new ATOM 1032 N PHE A 78 -12.022 -0.361 -3.525 1.00 0.00 N ATOM 1033 CA PHE A 78 -12.015 0.968 -2.947 1.00 0.00 C ATOM 1034 C PHE A 78 -13.443 1.428 -2.692 1.00 0.00 C ATOM 1035 O PHE A 78 -13.730 2.023 -1.655 1.00 0.00 O ATOM 1036 CB PHE A 78 -11.298 1.928 -3.893 1.00 0.00 C ATOM 1037 CG PHE A 78 -9.866 2.203 -3.502 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -8.953 1.146 -3.400 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -9.450 3.514 -3.243 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -7.625 1.401 -3.039 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -8.121 3.769 -2.883 1.00 0.00 C ATOM 1042 CZ PHE A 78 -7.209 2.712 -2.781 1.00 0.00 C ATOM 0 H PHE A 78 -11.422 -0.467 -4.343 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.485 0.952 -1.995 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -11.318 1.514 -4.901 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.845 2.870 -3.924 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -9.274 0.134 -3.600 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -10.154 4.329 -3.321 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.921 0.586 -2.960 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.800 4.781 -2.684 1.00 0.00 H new ATOM 0 HZ PHE A 78 -6.184 2.908 -2.503 1.00 0.00 H new ATOM 1052 N ASP A 79 -14.341 1.151 -3.640 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.731 1.537 -3.514 1.00 0.00 C ATOM 1054 C ASP A 79 -16.317 0.943 -2.241 1.00 0.00 C ATOM 1055 O ASP A 79 -17.361 1.387 -1.769 1.00 0.00 O ATOM 1056 CB ASP A 79 -16.505 1.059 -4.739 1.00 0.00 C ATOM 1057 CG ASP A 79 -17.628 2.026 -5.085 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -17.313 3.060 -5.714 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -18.780 1.714 -4.714 1.00 0.00 O ATOM 0 H ASP A 79 -14.119 0.658 -4.505 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.807 2.623 -3.454 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.828 0.964 -5.588 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.919 0.069 -4.549 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.642 -0.066 -1.683 1.00 0.00 N ATOM 1065 CA GLY A 80 -16.102 -0.711 -0.470 1.00 0.00 C ATOM 1066 C GLY A 80 -16.906 -1.958 -0.808 1.00 0.00 C ATOM 1067 O GLY A 80 -17.790 -2.355 -0.052 1.00 0.00 O ATOM 0 H GLY A 80 -14.774 -0.448 -2.060 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.249 -0.978 0.154 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.716 -0.020 0.108 1.00 0.00 H new ATOM 1071 N THR A 81 -16.597 -2.578 -1.950 1.00 0.00 N ATOM 1072 CA THR A 81 -17.292 -3.775 -2.378 1.00 0.00 C ATOM 1073 C THR A 81 -16.357 -4.974 -2.301 1.00 0.00 C ATOM 1074 O THR A 81 -15.160 -4.848 -2.550 1.00 0.00 O ATOM 1075 CB THR A 81 -17.807 -3.582 -3.801 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.998 -2.827 -3.772 1.00 0.00 O ATOM 1077 CG2 THR A 81 -18.083 -4.943 -4.432 1.00 0.00 C ATOM 0 H THR A 81 -15.867 -2.263 -2.589 1.00 0.00 H new ATOM 0 HA THR A 81 -18.141 -3.960 -1.720 1.00 0.00 H new ATOM 0 HB THR A 81 -17.057 -3.054 -4.390 1.00 0.00 H new ATOM 0 HG1 THR A 81 -19.328 -2.701 -4.686 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.451 -4.805 -5.449 1.00 0.00 H new ATOM 0 HG22 THR A 81 -17.163 -5.527 -4.455 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.833 -5.472 -3.843 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.907 -6.140 -1.956 1.00 0.00 N ATOM 1086 CA ARG A 82 -16.123 -7.353 -1.847 1.00 0.00 C ATOM 1087 C ARG A 82 -15.827 -7.902 -3.236 1.00 0.00 C ATOM 1088 O ARG A 82 -16.625 -8.653 -3.792 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.886 -8.378 -1.013 1.00 0.00 C ATOM 1090 CG ARG A 82 -16.082 -8.715 0.240 1.00 0.00 C ATOM 1091 CD ARG A 82 -16.567 -10.043 0.814 1.00 0.00 C ATOM 1092 NE ARG A 82 -17.301 -9.838 2.063 1.00 0.00 N ATOM 1093 CZ ARG A 82 -17.769 -10.852 2.804 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -17.570 -12.117 2.411 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -18.435 -10.600 3.939 1.00 0.00 N ATOM 0 H ARG A 82 -17.898 -6.261 -1.748 1.00 0.00 H new ATOM 0 HA ARG A 82 -15.176 -7.135 -1.354 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -17.863 -7.982 -0.736 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -17.062 -9.280 -1.599 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.021 -8.777 -0.002 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -16.195 -7.924 0.981 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -17.209 -10.544 0.089 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.715 -10.699 0.992 1.00 0.00 H new ATOM 0 HE ARG A 82 -17.463 -8.883 2.383 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -17.062 -12.309 1.548 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -17.926 -12.888 2.975 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -18.586 -9.637 4.239 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -18.791 -11.371 4.503 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.675 -7.525 -3.796 1.00 0.00 N ATOM 1110 CA TRP A 83 -14.284 -7.984 -5.114 1.00 0.00 C ATOM 1111 C TRP A 83 -14.083 -9.493 -5.098 1.00 0.00 C ATOM 1112 O TRP A 83 -14.732 -10.216 -5.851 1.00 0.00 O ATOM 1113 CB TRP A 83 -13.003 -7.273 -5.540 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.513 -7.624 -6.908 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -11.670 -8.640 -7.197 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -12.816 -6.982 -8.184 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -11.433 -8.670 -8.555 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -12.116 -7.667 -9.213 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -13.611 -5.890 -8.576 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -12.198 -7.291 -10.557 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -13.701 -5.505 -9.922 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -12.998 -6.201 -10.912 1.00 0.00 C ATOM 0 H TRP A 83 -14.002 -6.902 -3.350 1.00 0.00 H new ATOM 0 HA TRP A 83 -15.070 -7.750 -5.832 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -13.170 -6.197 -5.495 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -12.219 -7.505 -4.819 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -11.247 -9.323 -6.475 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -10.828 -9.349 -9.016 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -14.161 -5.339 -7.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.650 -7.836 -11.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -14.319 -4.663 -10.197 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.073 -5.897 -11.946 1.00 0.00 H new ATOM 1133 N GLY A 84 -13.180 -9.968 -4.237 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.902 -11.387 -4.132 1.00 0.00 C ATOM 1135 C GLY A 84 -11.478 -11.610 -3.642 1.00 0.00 C ATOM 1136 O GLY A 84 -10.618 -10.748 -3.811 1.00 0.00 O ATOM 0 H GLY A 84 -12.633 -9.383 -3.605 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.608 -11.853 -3.445 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.039 -11.864 -5.102 1.00 0.00 H new ATOM 1140 N THR A 85 -11.230 -12.772 -3.033 1.00 0.00 N ATOM 1141 CA THR A 85 -9.913 -13.098 -2.525 1.00 0.00 C ATOM 1142 C THR A 85 -8.881 -12.970 -3.636 1.00 0.00 C ATOM 1143 O THR A 85 -8.862 -13.774 -4.566 1.00 0.00 O ATOM 1144 CB THR A 85 -9.924 -14.516 -1.959 1.00 0.00 C ATOM 1145 OG1 THR A 85 -11.194 -14.793 -1.413 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.864 -14.637 -0.869 1.00 0.00 C ATOM 0 H THR A 85 -11.931 -13.498 -2.884 1.00 0.00 H new ATOM 0 HA THR A 85 -9.646 -12.403 -1.729 1.00 0.00 H new ATOM 0 HB THR A 85 -9.708 -15.228 -2.756 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.203 -15.704 -1.051 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.872 -15.649 -0.465 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.882 -14.422 -1.291 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.080 -13.926 -0.071 1.00 0.00 H new ATOM 1154 N VAL A 86 -8.021 -11.954 -3.538 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.991 -11.724 -4.532 1.00 0.00 C ATOM 1156 C VAL A 86 -5.756 -12.545 -4.192 1.00 0.00 C ATOM 1157 O VAL A 86 -5.503 -12.836 -3.025 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.656 -10.236 -4.580 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -5.255 -10.049 -5.156 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -7.669 -9.515 -5.465 1.00 0.00 C ATOM 0 H VAL A 86 -8.025 -11.279 -2.773 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.350 -12.034 -5.514 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.694 -9.822 -3.572 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.015 -8.986 -5.191 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.531 -10.564 -4.525 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.218 -10.463 -6.164 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.430 -8.452 -5.500 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.631 -9.929 -6.473 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.670 -9.649 -5.055 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.985 -12.918 -5.216 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.783 -13.703 -5.022 1.00 0.00 C ATOM 1172 C ASP A 87 -2.556 -12.832 -5.254 1.00 0.00 C ATOM 1173 O ASP A 87 -2.130 -12.650 -6.392 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.792 -14.892 -5.979 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.303 -16.146 -5.284 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -5.531 -16.207 -5.056 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -3.458 -17.019 -4.993 1.00 0.00 O ATOM 0 H ASP A 87 -5.181 -12.683 -6.189 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.750 -14.078 -3.999 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.422 -14.666 -6.840 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.785 -15.066 -6.358 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.990 -12.294 -4.172 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.818 -11.447 -4.262 1.00 0.00 C ATOM 1184 C CYS A 88 0.284 -12.172 -5.023 1.00 0.00 C ATOM 1185 O CYS A 88 1.169 -11.537 -5.592 1.00 0.00 O ATOM 1186 CB CYS A 88 -0.351 -11.074 -2.858 1.00 0.00 C ATOM 1187 SG CYS A 88 0.224 -9.364 -2.705 1.00 0.00 S ATOM 0 H CYS A 88 -2.333 -12.436 -3.222 1.00 0.00 H new ATOM 0 HA CYS A 88 -1.065 -10.533 -4.802 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -1.171 -11.235 -2.158 1.00 0.00 H new ATOM 0 HB3 CYS A 88 0.455 -11.746 -2.564 1.00 0.00 H new ATOM 1192 N THR A 89 0.229 -13.506 -5.031 1.00 0.00 N ATOM 1193 CA THR A 89 1.222 -14.304 -5.721 1.00 0.00 C ATOM 1194 C THR A 89 0.849 -14.437 -7.191 1.00 0.00 C ATOM 1195 O THR A 89 1.558 -15.086 -7.958 1.00 0.00 O ATOM 1196 CB THR A 89 1.318 -15.677 -5.062 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.025 -16.225 -4.927 1.00 0.00 O ATOM 1198 CG2 THR A 89 1.956 -15.535 -3.683 1.00 0.00 C ATOM 0 H THR A 89 -0.497 -14.049 -4.564 1.00 0.00 H new ATOM 0 HA THR A 89 2.194 -13.815 -5.657 1.00 0.00 H new ATOM 0 HB THR A 89 1.929 -16.335 -5.680 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.086 -17.108 -4.505 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.025 -16.515 -3.211 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.955 -15.111 -3.786 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.345 -14.877 -3.065 1.00 0.00 H new ATOM 1206 N THR A 90 -0.267 -13.820 -7.584 1.00 0.00 N ATOM 1207 CA THR A 90 -0.724 -13.874 -8.958 1.00 0.00 C ATOM 1208 C THR A 90 -0.649 -12.489 -9.584 1.00 0.00 C ATOM 1209 O THR A 90 -0.495 -12.360 -10.796 1.00 0.00 O ATOM 1210 CB THR A 90 -2.152 -14.408 -8.998 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.131 -15.815 -8.898 1.00 0.00 O ATOM 1212 CG2 THR A 90 -2.811 -14.002 -10.313 1.00 0.00 C ATOM 0 H THR A 90 -0.867 -13.278 -6.962 1.00 0.00 H new ATOM 0 HA THR A 90 -0.083 -14.544 -9.531 1.00 0.00 H new ATOM 0 HB THR A 90 -2.718 -13.992 -8.164 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.049 -16.158 -8.922 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.832 -14.384 -10.342 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.828 -12.915 -10.391 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.245 -14.417 -11.147 1.00 0.00 H new ATOM 1220 N ALA A 91 -0.758 -11.451 -8.752 1.00 0.00 N ATOM 1221 CA ALA A 91 -0.703 -10.082 -9.226 1.00 0.00 C ATOM 1222 C ALA A 91 0.280 -9.284 -8.381 1.00 0.00 C ATOM 1223 O ALA A 91 0.858 -9.810 -7.433 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.097 -9.466 -9.160 1.00 0.00 C ATOM 0 H ALA A 91 -0.885 -11.542 -7.744 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.361 -10.064 -10.261 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.057 -8.437 -9.516 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.779 -10.041 -9.787 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.453 -9.480 -8.130 1.00 0.00 H new ATOM 1230 N ALA A 92 0.469 -8.008 -8.729 1.00 0.00 N ATOM 1231 CA ALA A 92 1.380 -7.146 -8.004 1.00 0.00 C ATOM 1232 C ALA A 92 0.602 -6.288 -7.017 1.00 0.00 C ATOM 1233 O ALA A 92 -0.368 -5.632 -7.391 1.00 0.00 O ATOM 1234 CB ALA A 92 2.147 -6.272 -8.993 1.00 0.00 C ATOM 0 H ALA A 92 -0.003 -7.557 -9.513 1.00 0.00 H new ATOM 0 HA ALA A 92 2.093 -7.752 -7.445 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.833 -5.623 -8.449 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.712 -6.906 -9.676 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.444 -5.662 -9.561 1.00 0.00 H new ATOM 1240 N CYS A 93 1.030 -6.293 -5.752 1.00 0.00 N ATOM 1241 CA CYS A 93 0.374 -5.518 -4.719 1.00 0.00 C ATOM 1242 C CYS A 93 1.213 -4.294 -4.382 1.00 0.00 C ATOM 1243 O CYS A 93 2.419 -4.283 -4.619 1.00 0.00 O ATOM 1244 CB CYS A 93 0.168 -6.390 -3.483 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.718 -7.934 -3.812 1.00 0.00 S ATOM 0 H CYS A 93 1.833 -6.831 -5.427 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.599 -5.180 -5.075 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.141 -6.626 -3.051 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.383 -5.819 -2.736 1.00 0.00 H new ATOM 1250 N GLN A 94 0.573 -3.262 -3.828 1.00 0.00 N ATOM 1251 CA GLN A 94 1.263 -2.041 -3.463 1.00 0.00 C ATOM 1252 C GLN A 94 0.713 -1.510 -2.147 1.00 0.00 C ATOM 1253 O GLN A 94 -0.476 -1.647 -1.868 1.00 0.00 O ATOM 1254 CB GLN A 94 1.092 -1.011 -4.576 1.00 0.00 C ATOM 1255 CG GLN A 94 -0.013 -0.030 -4.197 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.640 0.588 -5.438 1.00 0.00 C ATOM 1257 OE1 GLN A 94 -0.581 0.008 -6.520 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -1.240 1.770 -5.280 1.00 0.00 N ATOM 0 H GLN A 94 -0.427 -3.256 -3.625 1.00 0.00 H new ATOM 0 HA GLN A 94 2.326 -2.244 -3.333 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.028 -0.476 -4.738 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.844 -1.510 -5.513 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.778 -0.545 -3.616 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.395 0.756 -3.561 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.263 2.212 -4.361 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.676 2.231 -6.078 1.00 0.00 H new ATOM 1267 N VAL A 95 1.582 -0.900 -1.338 1.00 0.00 N ATOM 1268 CA VAL A 95 1.181 -0.352 -0.058 1.00 0.00 C ATOM 1269 C VAL A 95 1.197 1.169 -0.123 1.00 0.00 C ATOM 1270 O VAL A 95 1.882 1.750 -0.961 1.00 0.00 O ATOM 1271 CB VAL A 95 2.125 -0.857 1.029 1.00 0.00 C ATOM 1272 CG1 VAL A 95 1.990 0.022 2.269 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.766 -2.297 1.385 1.00 0.00 C ATOM 0 H VAL A 95 2.571 -0.777 -1.556 1.00 0.00 H new ATOM 0 HA VAL A 95 0.168 -0.676 0.181 1.00 0.00 H new ATOM 0 HB VAL A 95 3.152 -0.817 0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.664 -0.339 3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.246 1.051 2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.963 -0.017 2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.440 -2.659 2.162 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.739 -2.337 1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.862 -2.925 0.500 1.00 0.00 H new ATOM 1283 N GLY A 96 0.438 1.815 0.767 1.00 0.00 N ATOM 1284 CA GLY A 96 0.373 3.262 0.802 1.00 0.00 C ATOM 1285 C GLY A 96 -0.500 3.722 1.961 1.00 0.00 C ATOM 1286 O GLY A 96 -1.142 2.907 2.621 1.00 0.00 O ATOM 0 H GLY A 96 -0.137 1.350 1.470 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.376 3.676 0.906 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.031 3.638 -0.138 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.523 5.034 2.209 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.315 5.596 3.285 1.00 0.00 C ATOM 1292 C LEU A 97 -2.160 6.747 2.757 1.00 0.00 C ATOM 1293 O LEU A 97 -1.650 7.633 2.075 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.389 6.073 4.401 1.00 0.00 C ATOM 1295 CG LEU A 97 0.556 7.139 3.856 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.704 8.260 4.882 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.922 6.516 3.582 1.00 0.00 C ATOM 0 H LEU A 97 0.003 5.723 1.671 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.984 4.834 3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.975 6.478 5.226 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.182 5.234 4.798 1.00 0.00 H new ATOM 0 HG LEU A 97 0.150 7.546 2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.379 9.022 4.493 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.272 8.705 5.078 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.110 7.854 5.808 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.598 7.277 3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.329 6.109 4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.817 5.716 2.850 1.00 0.00 H new ATOM 1309 N SER A 98 -3.456 6.732 3.075 1.00 0.00 N ATOM 1310 CA SER A 98 -4.363 7.772 2.634 1.00 0.00 C ATOM 1311 C SER A 98 -4.811 8.607 3.825 1.00 0.00 C ATOM 1312 O SER A 98 -4.981 8.083 4.924 1.00 0.00 O ATOM 1313 CB SER A 98 -5.563 7.138 1.936 1.00 0.00 C ATOM 1314 OG SER A 98 -5.160 6.622 0.687 1.00 0.00 O ATOM 0 H SER A 98 -3.894 6.004 3.639 1.00 0.00 H new ATOM 0 HA SER A 98 -3.853 8.428 1.928 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.978 6.342 2.554 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.351 7.879 1.799 1.00 0.00 H new ATOM 0 HG SER A 98 -5.929 6.213 0.238 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.004 9.909 3.605 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.431 10.807 4.659 1.00 0.00 C ATOM 1322 C ASP A 99 -6.887 11.195 4.446 1.00 0.00 C ATOM 1323 O ASP A 99 -7.601 10.542 3.688 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.537 12.044 4.664 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.122 13.142 3.787 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.200 12.908 2.562 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.481 14.194 4.358 1.00 0.00 O ATOM 0 H ASP A 99 -4.868 10.358 2.699 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.346 10.309 5.625 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.423 12.410 5.684 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.542 11.780 4.307 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.327 12.261 5.119 1.00 0.00 N ATOM 1333 CA ALA A 100 -8.694 12.728 5.002 1.00 0.00 C ATOM 1334 C ALA A 100 -8.947 13.230 3.587 1.00 0.00 C ATOM 1335 O ALA A 100 -9.938 12.857 2.962 1.00 0.00 O ATOM 1336 CB ALA A 100 -8.941 13.836 6.021 1.00 0.00 C ATOM 0 H ALA A 100 -6.747 12.813 5.751 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.382 11.907 5.204 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.969 14.188 5.934 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.774 13.450 7.026 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.257 14.663 5.832 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.049 14.080 3.084 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.180 14.629 1.749 1.00 0.00 C ATOM 1344 C ALA A 101 -8.008 13.523 0.718 1.00 0.00 C ATOM 1345 O ALA A 101 -8.495 13.637 -0.405 1.00 0.00 O ATOM 1346 CB ALA A 101 -7.138 15.725 1.546 1.00 0.00 C ATOM 0 H ALA A 101 -7.223 14.399 3.590 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.172 15.063 1.625 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.236 16.139 0.542 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.293 16.515 2.281 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.140 15.305 1.670 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.312 12.449 1.099 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.082 11.333 0.204 1.00 0.00 C ATOM 1354 C GLY A 102 -5.755 11.505 -0.522 1.00 0.00 C ATOM 1355 O GLY A 102 -5.704 11.448 -1.749 1.00 0.00 O ATOM 0 H GLY A 102 -6.901 12.337 2.026 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.078 10.400 0.768 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.894 11.264 -0.520 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.679 11.715 0.240 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.361 11.893 -0.335 1.00 0.00 C ATOM 1361 C ASN A 103 -2.356 11.008 0.389 1.00 0.00 C ATOM 1362 O ASN A 103 -2.695 10.357 1.375 1.00 0.00 O ATOM 1363 CB ASN A 103 -2.958 13.361 -0.235 1.00 0.00 C ATOM 1364 CG ASN A 103 -2.072 13.600 0.979 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -0.961 14.109 0.848 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -2.567 13.234 2.163 1.00 0.00 N ATOM 0 H ASN A 103 -4.704 11.765 1.258 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.377 11.604 -1.386 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.429 13.660 -1.140 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.850 13.983 -0.167 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -2.017 13.373 3.011 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.495 12.815 2.220 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.114 10.985 -0.102 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.071 10.181 0.503 1.00 0.00 C ATOM 1375 C GLY A 104 1.247 10.390 -0.229 1.00 0.00 C ATOM 1376 O GLY A 104 1.311 11.148 -1.195 1.00 0.00 O ATOM 0 H GLY A 104 -0.815 11.518 -0.919 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.042 10.450 1.553 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.350 9.128 0.471 1.00 0.00 H new ATOM 1380 N PRO A 105 2.302 9.716 0.235 1.00 0.00 N ATOM 1381 CA PRO A 105 3.631 9.789 -0.332 1.00 0.00 C ATOM 1382 C PRO A 105 3.658 9.054 -1.665 1.00 0.00 C ATOM 1383 O PRO A 105 2.739 8.303 -1.980 1.00 0.00 O ATOM 1384 CB PRO A 105 4.532 9.101 0.691 1.00 0.00 C ATOM 1385 CG PRO A 105 3.596 8.076 1.330 1.00 0.00 C ATOM 1386 CD PRO A 105 2.262 8.818 1.369 1.00 0.00 C ATOM 0 HA PRO A 105 3.954 10.812 -0.526 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.391 8.625 0.218 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.922 9.806 1.425 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.534 7.162 0.740 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.929 7.790 2.327 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.423 8.126 1.296 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.142 9.367 2.303 1.00 0.00 H new ATOM 1394 N GLU A 106 4.717 9.274 -2.448 1.00 0.00 N ATOM 1395 CA GLU A 106 4.854 8.632 -3.740 1.00 0.00 C ATOM 1396 C GLU A 106 4.317 7.210 -3.674 1.00 0.00 C ATOM 1397 O GLU A 106 4.621 6.471 -2.739 1.00 0.00 O ATOM 1398 CB GLU A 106 6.323 8.636 -4.155 1.00 0.00 C ATOM 1399 CG GLU A 106 7.176 8.101 -3.009 1.00 0.00 C ATOM 1400 CD GLU A 106 8.659 8.233 -3.328 1.00 0.00 C ATOM 1401 OE1 GLU A 106 9.106 9.390 -3.476 1.00 0.00 O ATOM 1402 OE2 GLU A 106 9.316 7.173 -3.417 1.00 0.00 O ATOM 0 H GLU A 106 5.488 9.894 -2.202 1.00 0.00 H new ATOM 0 HA GLU A 106 4.276 9.181 -4.484 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.463 8.021 -5.044 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.636 9.647 -4.414 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.947 8.647 -2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.931 7.055 -2.826 1.00 0.00 H new ATOM 1409 N GLY A 107 3.515 6.825 -4.669 1.00 0.00 N ATOM 1410 CA GLY A 107 2.943 5.494 -4.715 1.00 0.00 C ATOM 1411 C GLY A 107 4.027 4.447 -4.503 1.00 0.00 C ATOM 1412 O GLY A 107 5.181 4.661 -4.867 1.00 0.00 O ATOM 0 H GLY A 107 3.251 7.424 -5.452 1.00 0.00 H new ATOM 0 HA2 GLY A 107 2.176 5.394 -3.947 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.455 5.333 -5.676 1.00 0.00 H new ATOM 1416 N VAL A 108 3.652 3.310 -3.912 1.00 0.00 N ATOM 1417 CA VAL A 108 4.590 2.236 -3.654 1.00 0.00 C ATOM 1418 C VAL A 108 4.116 0.963 -4.340 1.00 0.00 C ATOM 1419 O VAL A 108 3.116 0.373 -3.936 1.00 0.00 O ATOM 1420 CB VAL A 108 4.719 2.024 -2.149 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.169 0.593 -1.873 1.00 0.00 C ATOM 1422 CG2 VAL A 108 5.748 2.999 -1.584 1.00 0.00 C ATOM 0 H VAL A 108 2.699 3.117 -3.605 1.00 0.00 H new ATOM 0 HA VAL A 108 5.569 2.498 -4.055 1.00 0.00 H new ATOM 0 HB VAL A 108 3.754 2.199 -1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.261 0.442 -0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.434 -0.104 -2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.134 0.417 -2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.840 2.848 -0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.713 2.825 -2.059 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.426 4.022 -1.780 1.00 0.00 H new ATOM 1432 N ALA A 109 4.838 0.539 -5.380 1.00 0.00 N ATOM 1433 CA ALA A 109 4.488 -0.659 -6.116 1.00 0.00 C ATOM 1434 C ALA A 109 5.239 -1.853 -5.543 1.00 0.00 C ATOM 1435 O ALA A 109 6.414 -1.744 -5.203 1.00 0.00 O ATOM 1436 CB ALA A 109 4.825 -0.466 -7.592 1.00 0.00 C ATOM 0 H ALA A 109 5.671 1.016 -5.726 1.00 0.00 H new ATOM 0 HA ALA A 109 3.419 -0.848 -6.023 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.562 -1.367 -8.146 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.262 0.380 -7.986 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.892 -0.273 -7.699 1.00 0.00 H new ATOM 1442 N ILE A 110 4.555 -2.995 -5.438 1.00 0.00 N ATOM 1443 CA ILE A 110 5.157 -4.203 -4.909 1.00 0.00 C ATOM 1444 C ILE A 110 5.341 -5.219 -6.028 1.00 0.00 C ATOM 1445 O ILE A 110 4.691 -5.125 -7.066 1.00 0.00 O ATOM 1446 CB ILE A 110 4.273 -4.769 -3.802 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.496 -3.635 -3.140 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.145 -5.464 -2.760 1.00 0.00 C ATOM 1449 CD1 ILE A 110 2.950 -4.108 -1.796 1.00 0.00 C ATOM 0 H ILE A 110 3.579 -3.100 -5.716 1.00 0.00 H new ATOM 0 HA ILE A 110 6.136 -3.973 -4.490 1.00 0.00 H new ATOM 0 HB ILE A 110 3.573 -5.488 -4.228 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.145 -2.771 -2.997 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.677 -3.316 -3.785 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.514 -5.869 -1.969 1.00 0.00 H new ATOM 0 HG22 ILE A 110 5.700 -6.275 -3.232 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.845 -4.746 -2.334 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.395 -3.298 -1.323 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.287 -4.959 -1.952 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.777 -4.405 -1.152 1.00 0.00 H new ATOM 1461 N SER A 111 6.229 -6.192 -5.813 1.00 0.00 N ATOM 1462 CA SER A 111 6.490 -7.218 -6.802 1.00 0.00 C ATOM 1463 C SER A 111 6.736 -8.552 -6.111 1.00 0.00 C ATOM 1464 O SER A 111 7.740 -8.720 -5.422 1.00 0.00 O ATOM 1465 CB SER A 111 7.697 -6.816 -7.645 1.00 0.00 C ATOM 1466 OG SER A 111 8.682 -7.821 -7.565 1.00 0.00 O ATOM 0 H SER A 111 6.777 -6.283 -4.957 1.00 0.00 H new ATOM 0 HA SER A 111 5.625 -7.325 -7.456 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.397 -6.668 -8.682 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.101 -5.867 -7.292 1.00 0.00 H new ATOM 0 HG SER A 111 9.457 -7.564 -8.107 1.00 0.00 H new ATOM 1472 N PHE A 112 5.817 -9.502 -6.296 1.00 0.00 N ATOM 1473 CA PHE A 112 5.940 -10.812 -5.691 1.00 0.00 C ATOM 1474 C PHE A 112 6.616 -11.769 -6.664 1.00 0.00 C ATOM 1475 O PHE A 112 6.152 -11.942 -7.789 1.00 0.00 O ATOM 1476 CB PHE A 112 4.557 -11.324 -5.301 1.00 0.00 C ATOM 1477 CG PHE A 112 3.881 -10.487 -4.242 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.418 -9.203 -4.554 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.715 -10.996 -2.948 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.789 -8.428 -3.572 1.00 0.00 C ATOM 1481 CE2 PHE A 112 3.086 -10.221 -1.966 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.624 -8.937 -2.278 1.00 0.00 C ATOM 0 H PHE A 112 4.979 -9.379 -6.864 1.00 0.00 H new ATOM 0 HA PHE A 112 6.554 -10.745 -4.793 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.925 -11.352 -6.189 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.646 -12.349 -4.941 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.546 -8.810 -5.552 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.072 -11.986 -2.707 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.431 -7.438 -3.813 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.957 -10.614 -0.968 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.140 -8.339 -1.520 1.00 0.00 H new ATOM 1492 N ASN A 113 7.714 -12.390 -6.228 1.00 0.00 N ATOM 1493 CA ASN A 113 8.443 -13.324 -7.062 1.00 0.00 C ATOM 1494 C ASN A 113 8.960 -12.615 -8.306 1.00 0.00 C ATOM 1495 O ASN A 113 10.134 -12.256 -8.376 1.00 0.00 O ATOM 1496 CB ASN A 113 7.529 -14.485 -7.443 1.00 0.00 C ATOM 1497 CG ASN A 113 7.097 -15.263 -6.208 1.00 0.00 C ATOM 1498 OD1 ASN A 113 7.702 -16.277 -5.868 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.047 -14.785 -5.536 1.00 0.00 N ATOM 0 H ASN A 113 8.112 -12.257 -5.298 1.00 0.00 H new ATOM 0 HA ASN A 113 9.298 -13.716 -6.511 1.00 0.00 H new ATOM 0 HB2 ASN A 113 6.650 -14.106 -7.965 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.047 -15.150 -8.134 1.00 0.00 H new ATOM 0 HD21 ASN A 113 5.714 -15.266 -4.700 1.00 0.00 H new ATOM 0 HD22 ASN A 113 5.578 -13.939 -5.858 1.00 0.00 H new