USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 424 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 105 THR OG1 : rot -140:sc= -1.7! USER MOD Set 1.2: A 107 GLN : amide:sc= -3.93! C(o=-5.6!,f=-6.7!) USER MOD Single : A 70 HIS : no HE2:sc= -5.57! C(o=-5.6!,f=-6.9!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.00938 USER MOD Single : A 72 TYR OH : rot 64:sc= 0.164 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.0393 X(o=-0.039,f=0) USER MOD Single : A 93 GLN :FLIP amide:sc= 0 F(o=-1.6,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0315 USER MOD Single : A 99 LYS NZ :NH3+ -135:sc= -2.38 (180deg=-6.76!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.069 USER MOD Single : A 104 THR OG1 : rot 125:sc= 0.11 USER MOD Single : A 114 ASN : amide:sc= -2.67 K(o=-2.7,f=-4.5!) USER MOD Single : A 118 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.716) USER MOD Single : A 120 ASN : amide:sc= -0.805 K(o=-0.8,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 15 N LEU A 65 1.092 3.842 10.717 1.00 0.00 N ATOM 16 CA LEU A 65 0.217 4.588 9.841 1.00 0.00 C ATOM 17 C LEU A 65 0.993 5.365 8.801 1.00 0.00 C ATOM 18 O LEU A 65 2.064 5.913 9.063 1.00 0.00 O ATOM 19 CB LEU A 65 -0.686 5.532 10.624 1.00 0.00 C ATOM 20 CG LEU A 65 -1.416 6.559 9.776 1.00 0.00 C ATOM 21 CD1 LEU A 65 -2.286 5.862 8.745 1.00 0.00 C ATOM 22 CD2 LEU A 65 -2.248 7.490 10.647 1.00 0.00 C ATOM 0 HA LEU A 65 -0.406 3.856 9.328 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.422 4.941 11.169 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.085 6.056 11.367 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.676 7.165 9.253 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.805 6.608 8.143 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.661 5.245 8.099 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.017 5.232 9.252 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.761 8.216 10.017 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.983 6.908 11.202 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.596 8.013 11.346 1.00 0.00 H new ATOM 34 N VAL A 66 0.422 5.392 7.619 1.00 0.00 N ATOM 35 CA VAL A 66 1.005 6.082 6.485 1.00 0.00 C ATOM 36 C VAL A 66 0.036 7.083 5.874 1.00 0.00 C ATOM 37 O VAL A 66 -1.080 7.267 6.354 1.00 0.00 O ATOM 38 CB VAL A 66 1.413 5.085 5.402 1.00 0.00 C ATOM 39 CG1 VAL A 66 2.726 4.411 5.760 1.00 0.00 C ATOM 40 CG2 VAL A 66 0.315 4.055 5.178 1.00 0.00 C ATOM 0 H VAL A 66 -0.466 4.934 7.413 1.00 0.00 H new ATOM 0 HA VAL A 66 1.880 6.615 6.857 1.00 0.00 H new ATOM 0 HB VAL A 66 1.558 5.632 4.470 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.998 3.705 4.976 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.507 5.165 5.857 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.616 3.879 6.705 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.626 3.355 4.403 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.131 3.512 6.105 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.599 4.560 4.865 1.00 0.00 H new ATOM 50 N ILE A 67 0.473 7.720 4.797 1.00 0.00 N ATOM 51 CA ILE A 67 -0.350 8.691 4.101 1.00 0.00 C ATOM 52 C ILE A 67 -0.103 8.631 2.602 1.00 0.00 C ATOM 53 O ILE A 67 1.032 8.735 2.138 1.00 0.00 O ATOM 54 CB ILE A 67 -0.132 10.127 4.638 1.00 0.00 C ATOM 55 CG1 ILE A 67 -1.351 10.525 5.461 1.00 0.00 C ATOM 56 CG2 ILE A 67 0.098 11.124 3.509 1.00 0.00 C ATOM 57 CD1 ILE A 67 -1.398 11.982 5.867 1.00 0.00 C ATOM 0 H ILE A 67 1.396 7.579 4.387 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.391 8.430 4.292 1.00 0.00 H new ATOM 0 HB ILE A 67 0.764 10.140 5.259 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.249 10.293 4.888 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.380 9.911 6.361 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.247 12.119 3.927 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.982 10.833 2.941 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.770 11.134 2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.301 12.169 6.448 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.522 12.220 6.470 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.405 12.608 4.975 1.00 0.00 H new ATOM 69 N ALA A 68 -1.180 8.455 1.855 1.00 0.00 N ATOM 70 CA ALA A 68 -1.098 8.366 0.401 1.00 0.00 C ATOM 71 C ALA A 68 -0.429 9.596 -0.196 1.00 0.00 C ATOM 72 O ALA A 68 -0.526 10.697 0.345 1.00 0.00 O ATOM 73 CB ALA A 68 -2.478 8.167 -0.200 1.00 0.00 C ATOM 0 H ALA A 68 -2.125 8.370 2.230 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.482 7.501 0.157 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.397 8.103 -1.285 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.914 7.246 0.186 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.116 9.010 0.067 1.00 0.00 H new ATOM 79 N LEU A 69 0.248 9.396 -1.319 1.00 0.00 N ATOM 80 CA LEU A 69 0.937 10.481 -2.003 1.00 0.00 C ATOM 81 C LEU A 69 0.113 10.988 -3.187 1.00 0.00 C ATOM 82 O LEU A 69 0.256 12.136 -3.607 1.00 0.00 O ATOM 83 CB LEU A 69 2.314 10.012 -2.476 1.00 0.00 C ATOM 84 CG LEU A 69 3.336 9.778 -1.357 1.00 0.00 C ATOM 85 CD1 LEU A 69 4.709 9.449 -1.931 1.00 0.00 C ATOM 86 CD2 LEU A 69 3.419 10.995 -0.449 1.00 0.00 C ATOM 0 H LEU A 69 0.335 8.489 -1.777 1.00 0.00 H new ATOM 0 HA LEU A 69 1.065 11.305 -1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.193 9.085 -3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.717 10.753 -3.167 1.00 0.00 H new ATOM 0 HG LEU A 69 3.001 8.925 -0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.415 9.288 -1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.643 8.546 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.053 10.278 -2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.149 10.812 0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.725 11.864 -1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.443 11.183 -0.003 1.00 0.00 H new ATOM 98 N HIS A 70 -0.755 10.127 -3.714 1.00 0.00 N ATOM 99 CA HIS A 70 -1.608 10.494 -4.841 1.00 0.00 C ATOM 100 C HIS A 70 -2.971 9.815 -4.736 1.00 0.00 C ATOM 101 O HIS A 70 -3.252 9.115 -3.763 1.00 0.00 O ATOM 102 CB HIS A 70 -0.947 10.127 -6.175 1.00 0.00 C ATOM 103 CG HIS A 70 0.018 8.984 -6.095 1.00 0.00 C ATOM 104 ND1 HIS A 70 -0.183 7.784 -6.740 1.00 0.00 N ATOM 105 CD2 HIS A 70 1.200 8.868 -5.447 1.00 0.00 C ATOM 106 CE1 HIS A 70 0.832 6.975 -6.489 1.00 0.00 C ATOM 107 NE2 HIS A 70 1.685 7.610 -5.707 1.00 0.00 N ATOM 0 H HIS A 70 -0.886 9.172 -3.379 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.749 11.574 -4.807 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.726 9.879 -6.896 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.423 11.002 -6.560 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -0.989 7.555 -7.321 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.674 9.624 -4.839 1.00 0.00 H new ATOM 0 HE1 HIS A 70 0.944 5.967 -6.860 1.00 0.00 H new ATOM 116 N SER A 71 -3.811 10.026 -5.745 1.00 0.00 N ATOM 117 CA SER A 71 -5.143 9.430 -5.767 1.00 0.00 C ATOM 118 C SER A 71 -5.071 7.983 -6.238 1.00 0.00 C ATOM 119 O SER A 71 -4.527 7.695 -7.304 1.00 0.00 O ATOM 120 CB SER A 71 -6.072 10.232 -6.679 1.00 0.00 C ATOM 121 OG SER A 71 -5.632 11.573 -6.804 1.00 0.00 O ATOM 0 H SER A 71 -3.594 10.604 -6.557 1.00 0.00 H new ATOM 0 HA SER A 71 -5.544 9.449 -4.754 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.111 9.766 -7.663 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.085 10.214 -6.277 1.00 0.00 H new ATOM 0 HG SER A 71 -6.242 12.064 -7.393 1.00 0.00 H new ATOM 127 N TYR A 72 -5.611 7.073 -5.434 1.00 0.00 N ATOM 128 CA TYR A 72 -5.586 5.651 -5.779 1.00 0.00 C ATOM 129 C TYR A 72 -6.943 5.144 -6.256 1.00 0.00 C ATOM 130 O TYR A 72 -7.992 5.591 -5.790 1.00 0.00 O ATOM 131 CB TYR A 72 -5.139 4.807 -4.585 1.00 0.00 C ATOM 132 CG TYR A 72 -4.914 3.352 -4.937 1.00 0.00 C ATOM 133 CD1 TYR A 72 -4.171 2.995 -6.056 1.00 0.00 C ATOM 134 CD2 TYR A 72 -5.451 2.338 -4.156 1.00 0.00 C ATOM 135 CE1 TYR A 72 -3.972 1.667 -6.386 1.00 0.00 C ATOM 136 CE2 TYR A 72 -5.253 1.009 -4.478 1.00 0.00 C ATOM 137 CZ TYR A 72 -4.513 0.680 -5.593 1.00 0.00 C ATOM 138 OH TYR A 72 -4.320 -0.642 -5.918 1.00 0.00 O ATOM 0 H TYR A 72 -6.067 7.288 -4.548 1.00 0.00 H new ATOM 0 HA TYR A 72 -4.872 5.550 -6.597 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.217 5.223 -4.179 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.892 4.872 -3.799 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.742 3.767 -6.678 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.033 2.592 -3.282 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.395 1.405 -7.261 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.676 0.232 -3.859 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.366 -0.859 -5.855 1.00 0.00 H new ATOM 148 N GLU A 73 -6.902 4.185 -7.178 1.00 0.00 N ATOM 149 CA GLU A 73 -8.098 3.575 -7.723 1.00 0.00 C ATOM 150 C GLU A 73 -7.919 2.058 -7.812 1.00 0.00 C ATOM 151 O GLU A 73 -7.383 1.538 -8.791 1.00 0.00 O ATOM 152 CB GLU A 73 -8.395 4.149 -9.091 1.00 0.00 C ATOM 153 CG GLU A 73 -9.707 4.906 -9.154 1.00 0.00 C ATOM 154 CD GLU A 73 -9.849 5.726 -10.421 1.00 0.00 C ATOM 155 OE1 GLU A 73 -9.698 5.153 -11.520 1.00 0.00 O ATOM 156 OE2 GLU A 73 -10.112 6.942 -10.314 1.00 0.00 O ATOM 0 H GLU A 73 -6.034 3.813 -7.564 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.938 3.790 -7.063 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.584 4.817 -9.380 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.416 3.339 -9.820 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.534 4.198 -9.090 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.783 5.565 -8.289 1.00 0.00 H new ATOM 163 N PRO A 74 -8.365 1.340 -6.775 1.00 0.00 N ATOM 164 CA PRO A 74 -8.268 -0.114 -6.682 1.00 0.00 C ATOM 165 C PRO A 74 -8.536 -0.821 -8.006 1.00 0.00 C ATOM 166 O PRO A 74 -9.657 -0.809 -8.516 1.00 0.00 O ATOM 167 CB PRO A 74 -9.343 -0.482 -5.645 1.00 0.00 C ATOM 168 CG PRO A 74 -9.957 0.810 -5.200 1.00 0.00 C ATOM 169 CD PRO A 74 -8.999 1.896 -5.594 1.00 0.00 C ATOM 0 HA PRO A 74 -7.261 -0.427 -6.406 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.095 -1.140 -6.081 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -8.904 -1.015 -4.802 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.928 0.960 -5.671 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.122 0.810 -4.123 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.513 2.832 -5.812 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.276 2.106 -4.806 1.00 0.00 H new ATOM 177 N SER A 75 -7.498 -1.446 -8.550 1.00 0.00 N ATOM 178 CA SER A 75 -7.608 -2.173 -9.807 1.00 0.00 C ATOM 179 C SER A 75 -7.431 -3.671 -9.577 1.00 0.00 C ATOM 180 O SER A 75 -7.988 -4.492 -10.306 1.00 0.00 O ATOM 181 CB SER A 75 -6.565 -1.669 -10.806 1.00 0.00 C ATOM 182 OG SER A 75 -6.206 -0.326 -10.536 1.00 0.00 O ATOM 0 H SER A 75 -6.566 -1.463 -8.136 1.00 0.00 H new ATOM 0 HA SER A 75 -8.602 -1.999 -10.218 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.678 -2.302 -10.761 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.960 -1.746 -11.819 1.00 0.00 H new ATOM 0 HG SER A 75 -5.537 -0.029 -11.188 1.00 0.00 H new ATOM 188 N HIS A 76 -6.652 -4.019 -8.555 1.00 0.00 N ATOM 189 CA HIS A 76 -6.400 -5.416 -8.221 1.00 0.00 C ATOM 190 C HIS A 76 -7.512 -5.970 -7.336 1.00 0.00 C ATOM 191 O HIS A 76 -8.362 -5.224 -6.850 1.00 0.00 O ATOM 192 CB HIS A 76 -5.049 -5.554 -7.513 1.00 0.00 C ATOM 193 CG HIS A 76 -3.893 -5.690 -8.453 1.00 0.00 C ATOM 194 ND1 HIS A 76 -3.146 -6.844 -8.566 1.00 0.00 N ATOM 195 CD2 HIS A 76 -3.354 -4.809 -9.328 1.00 0.00 C ATOM 196 CE1 HIS A 76 -2.197 -6.666 -9.468 1.00 0.00 C ATOM 197 NE2 HIS A 76 -2.302 -5.440 -9.946 1.00 0.00 N ATOM 0 H HIS A 76 -6.184 -3.350 -7.944 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.378 -5.991 -9.147 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.890 -4.682 -6.878 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -5.079 -6.425 -6.858 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -3.689 -3.798 -9.507 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -1.461 -7.399 -9.764 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -1.700 -5.028 -10.659 1.00 0.00 H new ATOM 206 N ASP A 77 -7.503 -7.283 -7.129 1.00 0.00 N ATOM 207 CA ASP A 77 -8.512 -7.935 -6.300 1.00 0.00 C ATOM 208 C ASP A 77 -8.184 -7.775 -4.817 1.00 0.00 C ATOM 209 O ASP A 77 -7.021 -7.835 -4.420 1.00 0.00 O ATOM 210 CB ASP A 77 -8.613 -9.420 -6.655 1.00 0.00 C ATOM 211 CG ASP A 77 -10.042 -9.924 -6.628 1.00 0.00 C ATOM 212 OD1 ASP A 77 -10.760 -9.729 -7.631 1.00 0.00 O ATOM 213 OD2 ASP A 77 -10.443 -10.515 -5.603 1.00 0.00 O ATOM 0 H ASP A 77 -6.808 -7.917 -7.524 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.472 -7.456 -6.495 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.192 -9.583 -7.647 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.013 -10.000 -5.954 1.00 0.00 H new ATOM 218 N GLY A 78 -9.216 -7.572 -4.002 1.00 0.00 N ATOM 219 CA GLY A 78 -9.009 -7.406 -2.575 1.00 0.00 C ATOM 220 C GLY A 78 -8.124 -6.220 -2.257 1.00 0.00 C ATOM 221 O GLY A 78 -7.257 -6.301 -1.389 1.00 0.00 O ATOM 0 H GLY A 78 -10.189 -7.520 -4.304 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.973 -7.279 -2.083 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.559 -8.312 -2.168 1.00 0.00 H new ATOM 225 N ASP A 79 -8.341 -5.115 -2.965 1.00 0.00 N ATOM 226 CA ASP A 79 -7.551 -3.909 -2.756 1.00 0.00 C ATOM 227 C ASP A 79 -8.376 -2.813 -2.096 1.00 0.00 C ATOM 228 O ASP A 79 -9.602 -2.787 -2.206 1.00 0.00 O ATOM 229 CB ASP A 79 -6.992 -3.407 -4.086 1.00 0.00 C ATOM 230 CG ASP A 79 -5.964 -4.354 -4.668 1.00 0.00 C ATOM 231 OD1 ASP A 79 -6.318 -5.519 -4.943 1.00 0.00 O ATOM 232 OD2 ASP A 79 -4.804 -3.932 -4.844 1.00 0.00 O ATOM 0 H ASP A 79 -9.057 -5.031 -3.687 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.727 -4.162 -2.090 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.809 -3.279 -4.796 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.539 -2.426 -3.941 1.00 0.00 H new ATOM 237 N LEU A 80 -7.687 -1.904 -1.420 1.00 0.00 N ATOM 238 CA LEU A 80 -8.336 -0.789 -0.745 1.00 0.00 C ATOM 239 C LEU A 80 -8.013 0.515 -1.465 1.00 0.00 C ATOM 240 O LEU A 80 -6.850 0.813 -1.736 1.00 0.00 O ATOM 241 CB LEU A 80 -7.883 -0.721 0.722 1.00 0.00 C ATOM 242 CG LEU A 80 -7.958 0.659 1.383 1.00 0.00 C ATOM 243 CD1 LEU A 80 -9.404 1.058 1.641 1.00 0.00 C ATOM 244 CD2 LEU A 80 -7.166 0.669 2.680 1.00 0.00 C ATOM 0 H LEU A 80 -6.672 -1.918 -1.324 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.415 -0.941 -0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.492 -1.414 1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.854 -1.075 0.781 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.520 1.388 0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.432 2.041 2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.946 1.092 0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.871 0.327 2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.229 1.656 3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.577 -0.074 3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.123 0.432 2.471 1.00 0.00 H new ATOM 256 N GLY A 81 -9.044 1.290 -1.768 1.00 0.00 N ATOM 257 CA GLY A 81 -8.838 2.553 -2.448 1.00 0.00 C ATOM 258 C GLY A 81 -8.762 3.709 -1.480 1.00 0.00 C ATOM 259 O GLY A 81 -9.404 3.691 -0.429 1.00 0.00 O ATOM 0 H GLY A 81 -10.017 1.068 -1.556 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.917 2.506 -3.030 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.652 2.723 -3.153 1.00 0.00 H new ATOM 263 N PHE A 82 -7.973 4.713 -1.827 1.00 0.00 N ATOM 264 CA PHE A 82 -7.812 5.877 -0.973 1.00 0.00 C ATOM 265 C PHE A 82 -7.565 7.125 -1.800 1.00 0.00 C ATOM 266 O PHE A 82 -7.484 7.068 -3.026 1.00 0.00 O ATOM 267 CB PHE A 82 -6.657 5.666 0.003 1.00 0.00 C ATOM 268 CG PHE A 82 -5.478 4.951 -0.599 1.00 0.00 C ATOM 269 CD1 PHE A 82 -5.541 3.599 -0.891 1.00 0.00 C ATOM 270 CD2 PHE A 82 -4.308 5.636 -0.876 1.00 0.00 C ATOM 271 CE1 PHE A 82 -4.457 2.944 -1.446 1.00 0.00 C ATOM 272 CE2 PHE A 82 -3.219 4.986 -1.431 1.00 0.00 C ATOM 273 CZ PHE A 82 -3.295 3.639 -1.715 1.00 0.00 C ATOM 0 H PHE A 82 -7.435 4.745 -2.693 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.735 6.011 -0.409 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.329 6.635 0.379 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.017 5.097 0.860 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.447 3.050 -0.683 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.244 6.691 -0.656 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.519 1.889 -1.669 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.312 5.533 -1.641 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.447 3.129 -2.147 1.00 0.00 H new ATOM 283 N GLU A 83 -7.447 8.253 -1.116 1.00 0.00 N ATOM 284 CA GLU A 83 -7.212 9.519 -1.783 1.00 0.00 C ATOM 285 C GLU A 83 -5.793 10.013 -1.525 1.00 0.00 C ATOM 286 O GLU A 83 -5.051 9.422 -0.741 1.00 0.00 O ATOM 287 CB GLU A 83 -8.224 10.551 -1.291 1.00 0.00 C ATOM 288 CG GLU A 83 -9.310 10.865 -2.305 1.00 0.00 C ATOM 289 CD GLU A 83 -9.562 12.353 -2.451 1.00 0.00 C ATOM 290 OE1 GLU A 83 -10.321 12.909 -1.630 1.00 0.00 O ATOM 291 OE2 GLU A 83 -9.001 12.961 -3.387 1.00 0.00 O ATOM 0 H GLU A 83 -7.510 8.315 -0.100 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.332 9.376 -2.857 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.688 10.185 -0.375 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.698 11.471 -1.037 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.028 10.452 -3.273 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.235 10.372 -2.005 1.00 0.00 H new ATOM 298 N LYS A 84 -5.428 11.109 -2.174 1.00 0.00 N ATOM 299 CA LYS A 84 -4.107 11.690 -1.992 1.00 0.00 C ATOM 300 C LYS A 84 -4.044 12.364 -0.626 1.00 0.00 C ATOM 301 O LYS A 84 -4.932 13.137 -0.262 1.00 0.00 O ATOM 302 CB LYS A 84 -3.807 12.674 -3.124 1.00 0.00 C ATOM 303 CG LYS A 84 -2.730 13.699 -2.794 1.00 0.00 C ATOM 304 CD LYS A 84 -2.882 14.956 -3.631 1.00 0.00 C ATOM 305 CE LYS A 84 -2.247 14.791 -5.003 1.00 0.00 C ATOM 306 NZ LYS A 84 -1.778 16.091 -5.558 1.00 0.00 N ATOM 0 H LYS A 84 -6.026 11.612 -2.829 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.345 10.911 -2.027 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.500 12.112 -4.006 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.725 13.200 -3.385 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.783 13.957 -1.736 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.746 13.263 -2.967 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.940 15.193 -3.744 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.420 15.797 -3.114 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.406 14.101 -4.933 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.969 14.344 -5.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.352 15.935 -6.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.585 16.741 -5.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.070 16.506 -4.919 1.00 0.00 H new ATOM 320 N GLY A 85 -3.013 12.036 0.144 1.00 0.00 N ATOM 321 CA GLY A 85 -2.884 12.587 1.481 1.00 0.00 C ATOM 322 C GLY A 85 -3.700 11.797 2.486 1.00 0.00 C ATOM 323 O GLY A 85 -3.555 11.978 3.694 1.00 0.00 O ATOM 0 H GLY A 85 -2.265 11.400 -0.132 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.835 12.583 1.778 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.212 13.627 1.481 1.00 0.00 H new ATOM 327 N GLU A 86 -4.549 10.901 1.981 1.00 0.00 N ATOM 328 CA GLU A 86 -5.377 10.060 2.829 1.00 0.00 C ATOM 329 C GLU A 86 -4.500 9.261 3.772 1.00 0.00 C ATOM 330 O GLU A 86 -3.292 9.162 3.572 1.00 0.00 O ATOM 331 CB GLU A 86 -6.205 9.105 1.966 1.00 0.00 C ATOM 332 CG GLU A 86 -7.623 8.831 2.452 1.00 0.00 C ATOM 333 CD GLU A 86 -8.037 9.645 3.666 1.00 0.00 C ATOM 334 OE1 GLU A 86 -7.709 9.232 4.798 1.00 0.00 O ATOM 335 OE2 GLU A 86 -8.687 10.695 3.483 1.00 0.00 O ATOM 0 H GLU A 86 -4.677 10.743 0.982 1.00 0.00 H new ATOM 0 HA GLU A 86 -6.048 10.693 3.409 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.260 9.513 0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.675 8.155 1.898 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.319 9.035 1.638 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.714 7.772 2.692 1.00 0.00 H new ATOM 342 N GLN A 87 -5.111 8.682 4.788 1.00 0.00 N ATOM 343 CA GLN A 87 -4.369 7.888 5.751 1.00 0.00 C ATOM 344 C GLN A 87 -4.938 6.488 5.865 1.00 0.00 C ATOM 345 O GLN A 87 -6.142 6.269 5.727 1.00 0.00 O ATOM 346 CB GLN A 87 -4.357 8.560 7.120 1.00 0.00 C ATOM 347 CG GLN A 87 -4.085 10.050 7.056 1.00 0.00 C ATOM 348 CD GLN A 87 -4.904 10.840 8.059 1.00 0.00 C ATOM 349 OE1 GLN A 87 -5.703 11.699 7.686 1.00 0.00 O ATOM 350 NE2 GLN A 87 -4.708 10.551 9.340 1.00 0.00 N ATOM 0 H GLN A 87 -6.113 8.745 4.968 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.343 7.814 5.390 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.318 8.394 7.607 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.598 8.086 7.743 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.025 10.229 7.237 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.302 10.412 6.051 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.035 9.831 9.603 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.230 11.049 10.061 1.00 0.00 H new ATOM 359 N LEU A 88 -4.049 5.549 6.120 1.00 0.00 N ATOM 360 CA LEU A 88 -4.415 4.149 6.265 1.00 0.00 C ATOM 361 C LEU A 88 -3.512 3.479 7.274 1.00 0.00 C ATOM 362 O LEU A 88 -2.286 3.541 7.166 1.00 0.00 O ATOM 363 CB LEU A 88 -4.307 3.396 4.940 1.00 0.00 C ATOM 364 CG LEU A 88 -4.521 4.227 3.676 1.00 0.00 C ATOM 365 CD1 LEU A 88 -3.441 3.912 2.656 1.00 0.00 C ATOM 366 CD2 LEU A 88 -5.899 3.958 3.102 1.00 0.00 C ATOM 0 H LEU A 88 -3.052 5.732 6.233 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.451 4.119 6.602 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.320 2.937 4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.036 2.586 4.945 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.456 5.285 3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.603 4.509 1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.463 4.147 3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.481 2.853 2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.041 4.555 2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.990 2.900 2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.658 4.225 3.838 1.00 0.00 H new ATOM 378 N ARG A 89 -4.116 2.822 8.238 1.00 0.00 N ATOM 379 CA ARG A 89 -3.367 2.126 9.247 1.00 0.00 C ATOM 380 C ARG A 89 -2.900 0.790 8.686 1.00 0.00 C ATOM 381 O ARG A 89 -3.683 -0.146 8.533 1.00 0.00 O ATOM 382 CB ARG A 89 -4.224 1.937 10.488 1.00 0.00 C ATOM 383 CG ARG A 89 -3.635 0.952 11.458 1.00 0.00 C ATOM 384 CD ARG A 89 -4.434 0.903 12.743 1.00 0.00 C ATOM 385 NE ARG A 89 -3.653 0.360 13.849 1.00 0.00 N ATOM 386 CZ ARG A 89 -4.186 -0.191 14.937 1.00 0.00 C ATOM 387 NH1 ARG A 89 -5.504 -0.268 15.074 1.00 0.00 N ATOM 388 NH2 ARG A 89 -3.398 -0.665 15.893 1.00 0.00 N ATOM 0 H ARG A 89 -5.129 2.758 8.341 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.491 2.708 9.533 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.351 2.898 10.986 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.216 1.598 10.191 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.610 -0.039 11.004 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.604 1.227 11.678 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.774 1.907 12.997 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.325 0.293 12.594 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.636 0.405 13.785 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.115 0.096 14.343 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.906 -0.692 15.910 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.384 -0.607 15.794 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.806 -1.087 16.727 1.00 0.00 H new ATOM 402 N ILE A 90 -1.624 0.732 8.351 1.00 0.00 N ATOM 403 CA ILE A 90 -1.033 -0.460 7.764 1.00 0.00 C ATOM 404 C ILE A 90 -1.179 -1.677 8.660 1.00 0.00 C ATOM 405 O ILE A 90 -0.571 -1.767 9.726 1.00 0.00 O ATOM 406 CB ILE A 90 0.459 -0.251 7.428 1.00 0.00 C ATOM 407 CG1 ILE A 90 0.650 1.049 6.647 1.00 0.00 C ATOM 408 CG2 ILE A 90 0.999 -1.423 6.629 1.00 0.00 C ATOM 409 CD1 ILE A 90 0.015 1.033 5.273 1.00 0.00 C ATOM 0 H ILE A 90 -0.970 1.505 8.477 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.584 -0.642 6.842 1.00 0.00 H new ATOM 0 HB ILE A 90 1.014 -0.186 8.364 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.229 1.873 7.222 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.717 1.246 6.542 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.052 -1.255 6.403 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.894 -2.339 7.211 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.439 -1.518 5.699 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.192 1.988 4.779 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.453 0.231 4.679 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.058 0.868 5.370 1.00 0.00 H new ATOM 421 N LEU A 91 -1.974 -2.623 8.186 1.00 0.00 N ATOM 422 CA LEU A 91 -2.204 -3.868 8.890 1.00 0.00 C ATOM 423 C LEU A 91 -1.027 -4.789 8.639 1.00 0.00 C ATOM 424 O LEU A 91 -0.462 -5.379 9.560 1.00 0.00 O ATOM 425 CB LEU A 91 -3.494 -4.503 8.381 1.00 0.00 C ATOM 426 CG LEU A 91 -4.675 -3.531 8.300 1.00 0.00 C ATOM 427 CD1 LEU A 91 -5.917 -4.206 7.745 1.00 0.00 C ATOM 428 CD2 LEU A 91 -4.958 -2.917 9.664 1.00 0.00 C ATOM 0 H LEU A 91 -2.477 -2.546 7.302 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.301 -3.689 9.961 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.314 -4.924 7.392 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.763 -5.332 9.036 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.400 -2.733 7.611 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.734 -3.486 7.702 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.710 -4.580 6.742 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.199 -5.037 8.392 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.800 -2.229 9.586 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.199 -3.707 10.376 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.078 -2.375 10.009 1.00 0.00 H new ATOM 440 N GLU A 92 -0.648 -4.868 7.373 1.00 0.00 N ATOM 441 CA GLU A 92 0.484 -5.670 6.956 1.00 0.00 C ATOM 442 C GLU A 92 1.230 -4.972 5.832 1.00 0.00 C ATOM 443 O GLU A 92 0.623 -4.443 4.903 1.00 0.00 O ATOM 444 CB GLU A 92 0.040 -7.062 6.526 1.00 0.00 C ATOM 445 CG GLU A 92 0.647 -8.148 7.390 1.00 0.00 C ATOM 446 CD GLU A 92 -0.391 -8.920 8.182 1.00 0.00 C ATOM 447 OE1 GLU A 92 -0.811 -8.426 9.249 1.00 0.00 O ATOM 448 OE2 GLU A 92 -0.785 -10.017 7.733 1.00 0.00 O ATOM 0 H GLU A 92 -1.117 -4.379 6.611 1.00 0.00 H new ATOM 0 HA GLU A 92 1.157 -5.785 7.806 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.047 -7.126 6.575 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.323 -7.227 5.486 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.203 -8.840 6.758 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.363 -7.700 8.079 1.00 0.00 H new ATOM 455 N GLN A 93 2.547 -4.947 5.937 1.00 0.00 N ATOM 456 CA GLN A 93 3.375 -4.283 4.942 1.00 0.00 C ATOM 457 C GLN A 93 4.349 -5.256 4.299 1.00 0.00 C ATOM 458 O GLN A 93 5.485 -4.901 3.983 1.00 0.00 O ATOM 459 CB GLN A 93 4.126 -3.126 5.585 1.00 0.00 C ATOM 460 CG GLN A 93 4.489 -3.408 7.013 1.00 0.00 C ATOM 461 CD GLN A 93 5.133 -2.226 7.715 1.00 0.00 C ATOM 462 OE1 GLN A 93 4.520 -1.054 7.591 1.00 0.00 O flip ATOM 463 NE2 GLN A 93 6.170 -2.366 8.363 1.00 0.00 N flip ATOM 0 H GLN A 93 3.067 -5.378 6.701 1.00 0.00 H new ATOM 0 HA GLN A 93 2.725 -3.896 4.157 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.033 -2.922 5.015 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.512 -2.227 5.539 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.591 -3.700 7.558 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.172 -4.257 7.046 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.608 -3.285 8.432 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.591 -1.563 8.831 1.00 0.00 H new ATOM 472 N SER A 94 3.891 -6.482 4.098 1.00 0.00 N ATOM 473 CA SER A 94 4.711 -7.511 3.480 1.00 0.00 C ATOM 474 C SER A 94 4.407 -7.594 1.990 1.00 0.00 C ATOM 475 O SER A 94 3.263 -7.809 1.591 1.00 0.00 O ATOM 476 CB SER A 94 4.466 -8.865 4.147 1.00 0.00 C ATOM 477 OG SER A 94 3.393 -8.797 5.070 1.00 0.00 O ATOM 0 H SER A 94 2.953 -6.789 4.355 1.00 0.00 H new ATOM 0 HA SER A 94 5.760 -7.247 3.613 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.247 -9.614 3.386 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.371 -9.189 4.661 1.00 0.00 H new ATOM 0 HG SER A 94 3.258 -9.677 5.480 1.00 0.00 H new ATOM 483 N GLY A 95 5.436 -7.415 1.173 1.00 0.00 N ATOM 484 CA GLY A 95 5.251 -7.466 -0.264 1.00 0.00 C ATOM 485 C GLY A 95 4.953 -6.116 -0.864 1.00 0.00 C ATOM 486 O GLY A 95 4.522 -5.193 -0.173 1.00 0.00 O ATOM 0 H GLY A 95 6.393 -7.236 1.478 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.150 -7.874 -0.727 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.435 -8.150 -0.496 1.00 0.00 H new ATOM 490 N GLU A 96 5.182 -6.013 -2.165 1.00 0.00 N ATOM 491 CA GLU A 96 4.941 -4.784 -2.903 1.00 0.00 C ATOM 492 C GLU A 96 3.549 -4.214 -2.603 1.00 0.00 C ATOM 493 O GLU A 96 3.296 -3.031 -2.823 1.00 0.00 O ATOM 494 CB GLU A 96 5.108 -5.057 -4.394 1.00 0.00 C ATOM 495 CG GLU A 96 4.159 -4.266 -5.245 1.00 0.00 C ATOM 496 CD GLU A 96 4.426 -4.412 -6.730 1.00 0.00 C ATOM 497 OE1 GLU A 96 5.562 -4.123 -7.159 1.00 0.00 O ATOM 498 OE2 GLU A 96 3.499 -4.814 -7.463 1.00 0.00 O ATOM 0 H GLU A 96 5.539 -6.778 -2.737 1.00 0.00 H new ATOM 0 HA GLU A 96 5.667 -4.034 -2.588 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.131 -4.824 -4.688 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.956 -6.120 -4.582 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.139 -4.585 -5.033 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.227 -3.213 -4.972 1.00 0.00 H new ATOM 505 N TRP A 97 2.649 -5.055 -2.105 1.00 0.00 N ATOM 506 CA TRP A 97 1.299 -4.619 -1.780 1.00 0.00 C ATOM 507 C TRP A 97 1.063 -4.692 -0.273 1.00 0.00 C ATOM 508 O TRP A 97 1.095 -5.773 0.317 1.00 0.00 O ATOM 509 CB TRP A 97 0.280 -5.479 -2.523 1.00 0.00 C ATOM 510 CG TRP A 97 0.159 -5.114 -3.971 1.00 0.00 C ATOM 511 CD1 TRP A 97 0.916 -5.589 -5.003 1.00 0.00 C ATOM 512 CD2 TRP A 97 -0.766 -4.186 -4.546 1.00 0.00 C ATOM 513 NE1 TRP A 97 0.522 -5.007 -6.184 1.00 0.00 N ATOM 514 CE2 TRP A 97 -0.510 -4.142 -5.929 1.00 0.00 C ATOM 515 CE3 TRP A 97 -1.786 -3.386 -4.025 1.00 0.00 C ATOM 516 CZ2 TRP A 97 -1.236 -3.329 -6.795 1.00 0.00 C ATOM 517 CZ3 TRP A 97 -2.504 -2.580 -4.883 1.00 0.00 C ATOM 518 CH2 TRP A 97 -2.227 -2.555 -6.255 1.00 0.00 C ATOM 0 H TRP A 97 2.831 -6.041 -1.918 1.00 0.00 H new ATOM 0 HA TRP A 97 1.179 -3.582 -2.095 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.567 -6.527 -2.440 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.694 -5.376 -2.044 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.709 -6.316 -4.906 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.931 -5.189 -7.101 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -2.008 -3.399 -2.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.025 -3.310 -7.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -3.294 -1.957 -4.490 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -2.807 -1.912 -6.900 1.00 0.00 H new ATOM 529 N TRP A 98 0.847 -3.535 0.349 1.00 0.00 N ATOM 530 CA TRP A 98 0.632 -3.471 1.790 1.00 0.00 C ATOM 531 C TRP A 98 -0.845 -3.440 2.154 1.00 0.00 C ATOM 532 O TRP A 98 -1.642 -2.741 1.529 1.00 0.00 O ATOM 533 CB TRP A 98 1.311 -2.236 2.378 1.00 0.00 C ATOM 534 CG TRP A 98 2.804 -2.336 2.406 1.00 0.00 C ATOM 535 CD1 TRP A 98 3.568 -3.337 1.887 1.00 0.00 C ATOM 536 CD2 TRP A 98 3.709 -1.404 2.998 1.00 0.00 C ATOM 537 NE1 TRP A 98 4.899 -3.085 2.121 1.00 0.00 N ATOM 538 CE2 TRP A 98 5.012 -1.898 2.798 1.00 0.00 C ATOM 539 CE3 TRP A 98 3.541 -0.198 3.672 1.00 0.00 C ATOM 540 CZ2 TRP A 98 6.140 -1.221 3.254 1.00 0.00 C ATOM 541 CZ3 TRP A 98 4.659 0.476 4.125 1.00 0.00 C ATOM 542 CH2 TRP A 98 5.945 -0.036 3.913 1.00 0.00 C ATOM 0 H TRP A 98 0.817 -2.631 -0.123 1.00 0.00 H new ATOM 0 HA TRP A 98 1.069 -4.377 2.210 1.00 0.00 H new ATOM 0 HB2 TRP A 98 1.024 -1.361 1.796 1.00 0.00 H new ATOM 0 HB3 TRP A 98 0.946 -2.078 3.393 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.184 -4.202 1.367 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.675 -3.683 1.838 1.00 0.00 H new ATOM 0 HE3 TRP A 98 2.553 0.205 3.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 7.132 -1.616 3.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 4.539 1.412 4.651 1.00 0.00 H new ATOM 0 HH2 TRP A 98 6.800 0.514 4.276 1.00 0.00 H new ATOM 553 N LYS A 99 -1.187 -4.175 3.205 1.00 0.00 N ATOM 554 CA LYS A 99 -2.549 -4.213 3.704 1.00 0.00 C ATOM 555 C LYS A 99 -2.756 -3.046 4.657 1.00 0.00 C ATOM 556 O LYS A 99 -2.137 -2.993 5.718 1.00 0.00 O ATOM 557 CB LYS A 99 -2.816 -5.533 4.434 1.00 0.00 C ATOM 558 CG LYS A 99 -4.188 -5.613 5.086 1.00 0.00 C ATOM 559 CD LYS A 99 -5.239 -4.924 4.249 1.00 0.00 C ATOM 560 CE LYS A 99 -6.637 -5.381 4.624 1.00 0.00 C ATOM 561 NZ LYS A 99 -7.323 -6.067 3.495 1.00 0.00 N ATOM 0 H LYS A 99 -0.532 -4.755 3.729 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.242 -4.138 2.866 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.713 -6.355 3.726 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.053 -5.674 5.199 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.463 -6.658 5.230 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.150 -5.154 6.074 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.160 -3.845 4.381 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.058 -5.130 3.194 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.580 -6.056 5.478 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.228 -4.520 4.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.298 -5.715 3.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.812 -5.874 2.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.338 -7.092 3.669 1.00 0.00 H new ATOM 575 N ALA A 100 -3.605 -2.102 4.278 1.00 0.00 N ATOM 576 CA ALA A 100 -3.850 -0.940 5.117 1.00 0.00 C ATOM 577 C ALA A 100 -5.303 -0.832 5.520 1.00 0.00 C ATOM 578 O ALA A 100 -6.203 -1.108 4.727 1.00 0.00 O ATOM 579 CB ALA A 100 -3.424 0.337 4.406 1.00 0.00 C ATOM 0 H ALA A 100 -4.131 -2.117 3.404 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.254 -1.069 6.020 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.616 1.194 5.051 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.360 0.287 4.176 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -3.991 0.445 3.481 1.00 0.00 H new ATOM 585 N GLN A 101 -5.528 -0.387 6.746 1.00 0.00 N ATOM 586 CA GLN A 101 -6.871 -0.195 7.235 1.00 0.00 C ATOM 587 C GLN A 101 -7.141 1.291 7.304 1.00 0.00 C ATOM 588 O GLN A 101 -6.561 2.001 8.126 1.00 0.00 O ATOM 589 CB GLN A 101 -7.073 -0.837 8.605 1.00 0.00 C ATOM 590 CG GLN A 101 -8.407 -0.502 9.230 1.00 0.00 C ATOM 591 CD GLN A 101 -8.458 -0.803 10.714 1.00 0.00 C ATOM 592 OE1 GLN A 101 -8.933 -1.860 11.129 1.00 0.00 O ATOM 593 NE2 GLN A 101 -7.967 0.129 11.522 1.00 0.00 N ATOM 0 H GLN A 101 -4.794 -0.154 7.415 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.571 -0.679 6.554 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -6.986 -1.919 8.508 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.275 -0.512 9.272 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -8.621 0.555 9.072 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.191 -1.065 8.724 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -7.583 0.990 11.133 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -7.974 -0.016 12.532 1.00 0.00 H new ATOM 602 N SER A 102 -8.013 1.760 6.435 1.00 0.00 N ATOM 603 CA SER A 102 -8.352 3.161 6.388 1.00 0.00 C ATOM 604 C SER A 102 -8.696 3.659 7.784 1.00 0.00 C ATOM 605 O SER A 102 -8.877 2.864 8.705 1.00 0.00 O ATOM 606 CB SER A 102 -9.513 3.356 5.425 1.00 0.00 C ATOM 607 OG SER A 102 -9.102 4.046 4.257 1.00 0.00 O ATOM 0 H SER A 102 -8.501 1.184 5.749 1.00 0.00 H new ATOM 0 HA SER A 102 -7.502 3.742 6.031 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.927 2.386 5.150 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.308 3.914 5.919 1.00 0.00 H new ATOM 0 HG SER A 102 -9.868 4.156 3.655 1.00 0.00 H new ATOM 613 N LEU A 103 -8.756 4.966 7.952 1.00 0.00 N ATOM 614 CA LEU A 103 -9.056 5.530 9.262 1.00 0.00 C ATOM 615 C LEU A 103 -10.247 6.473 9.220 1.00 0.00 C ATOM 616 O LEU A 103 -10.920 6.681 10.229 1.00 0.00 O ATOM 617 CB LEU A 103 -7.823 6.221 9.812 1.00 0.00 C ATOM 618 CG LEU A 103 -6.754 5.243 10.301 1.00 0.00 C ATOM 619 CD1 LEU A 103 -5.705 5.044 9.227 1.00 0.00 C ATOM 620 CD2 LEU A 103 -6.116 5.704 11.600 1.00 0.00 C ATOM 0 H LEU A 103 -8.604 5.652 7.212 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.334 4.714 9.929 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.396 6.859 9.038 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.116 6.872 10.636 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.240 4.289 10.505 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.947 4.346 9.583 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.175 4.642 8.329 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.237 6.000 8.994 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.363 4.981 11.912 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.646 6.676 11.450 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.881 5.787 12.372 1.00 0.00 H new ATOM 632 N THR A 104 -10.526 7.016 8.047 1.00 0.00 N ATOM 633 CA THR A 104 -11.658 7.901 7.878 1.00 0.00 C ATOM 634 C THR A 104 -12.910 7.065 7.668 1.00 0.00 C ATOM 635 O THR A 104 -13.983 7.359 8.196 1.00 0.00 O ATOM 636 CB THR A 104 -11.424 8.806 6.678 1.00 0.00 C ATOM 637 OG1 THR A 104 -10.060 9.175 6.582 1.00 0.00 O ATOM 638 CG2 THR A 104 -12.235 10.064 6.741 1.00 0.00 C ATOM 0 H THR A 104 -9.982 6.857 7.199 1.00 0.00 H new ATOM 0 HA THR A 104 -11.781 8.522 8.765 1.00 0.00 H new ATOM 0 HB THR A 104 -11.730 8.228 5.806 1.00 0.00 H new ATOM 0 HG1 THR A 104 -9.719 8.939 5.694 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.030 10.673 5.861 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.295 9.812 6.769 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.971 10.623 7.639 1.00 0.00 H new ATOM 646 N THR A 105 -12.731 6.011 6.893 1.00 0.00 N ATOM 647 CA THR A 105 -13.782 5.064 6.566 1.00 0.00 C ATOM 648 C THR A 105 -13.507 3.740 7.264 1.00 0.00 C ATOM 649 O THR A 105 -14.410 3.030 7.706 1.00 0.00 O ATOM 650 CB THR A 105 -13.788 4.844 5.062 1.00 0.00 C ATOM 651 OG1 THR A 105 -12.965 3.744 4.708 1.00 0.00 O ATOM 652 CG2 THR A 105 -13.300 6.041 4.276 1.00 0.00 C ATOM 0 H THR A 105 -11.833 5.785 6.465 1.00 0.00 H new ATOM 0 HA THR A 105 -14.746 5.452 6.893 1.00 0.00 H new ATOM 0 HB THR A 105 -14.832 4.659 4.808 1.00 0.00 H new ATOM 0 HG1 THR A 105 -12.472 3.955 3.888 1.00 0.00 H new ATOM 0 HG21 THR A 105 -13.331 5.814 3.210 1.00 0.00 H new ATOM 0 HG22 THR A 105 -13.941 6.898 4.483 1.00 0.00 H new ATOM 0 HG23 THR A 105 -12.276 6.275 4.568 1.00 0.00 H new ATOM 660 N GLY A 106 -12.224 3.445 7.332 1.00 0.00 N ATOM 661 CA GLY A 106 -11.721 2.243 7.937 1.00 0.00 C ATOM 662 C GLY A 106 -11.771 1.046 7.017 1.00 0.00 C ATOM 663 O GLY A 106 -11.351 -0.048 7.394 1.00 0.00 O ATOM 0 H GLY A 106 -11.493 4.051 6.959 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -10.691 2.407 8.253 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.299 2.027 8.835 1.00 0.00 H new ATOM 667 N GLN A 107 -12.266 1.247 5.800 1.00 0.00 N ATOM 668 CA GLN A 107 -12.342 0.179 4.834 1.00 0.00 C ATOM 669 C GLN A 107 -11.005 -0.525 4.695 1.00 0.00 C ATOM 670 O GLN A 107 -9.984 0.095 4.397 1.00 0.00 O ATOM 671 CB GLN A 107 -12.806 0.742 3.514 1.00 0.00 C ATOM 672 CG GLN A 107 -14.310 0.804 3.439 1.00 0.00 C ATOM 673 CD GLN A 107 -14.858 2.200 3.650 1.00 0.00 C ATOM 674 OE1 GLN A 107 -15.511 2.479 4.656 1.00 0.00 O ATOM 675 NE2 GLN A 107 -14.596 3.089 2.699 1.00 0.00 N ATOM 0 H GLN A 107 -12.619 2.144 5.468 1.00 0.00 H new ATOM 0 HA GLN A 107 -13.060 -0.567 5.175 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.392 1.741 3.378 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.425 0.125 2.700 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.635 0.436 2.466 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.733 0.137 4.190 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -14.051 2.816 1.881 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -14.940 4.045 2.786 1.00 0.00 H new ATOM 684 N GLU A 108 -11.022 -1.823 4.935 1.00 0.00 N ATOM 685 CA GLU A 108 -9.810 -2.627 4.864 1.00 0.00 C ATOM 686 C GLU A 108 -9.574 -3.160 3.457 1.00 0.00 C ATOM 687 O GLU A 108 -10.517 -3.469 2.729 1.00 0.00 O ATOM 688 CB GLU A 108 -9.883 -3.782 5.860 1.00 0.00 C ATOM 689 CG GLU A 108 -10.001 -3.331 7.303 1.00 0.00 C ATOM 690 CD GLU A 108 -11.173 -3.970 8.024 1.00 0.00 C ATOM 691 OE1 GLU A 108 -11.348 -5.199 7.896 1.00 0.00 O ATOM 692 OE2 GLU A 108 -11.915 -3.240 8.715 1.00 0.00 O ATOM 0 H GLU A 108 -11.862 -2.346 5.181 1.00 0.00 H new ATOM 0 HA GLU A 108 -8.969 -1.984 5.122 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.739 -4.410 5.613 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.992 -4.400 5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.079 -3.574 7.831 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.109 -2.247 7.332 1.00 0.00 H new ATOM 699 N GLY A 109 -8.302 -3.266 3.086 1.00 0.00 N ATOM 700 CA GLY A 109 -7.947 -3.762 1.771 1.00 0.00 C ATOM 701 C GLY A 109 -6.462 -3.636 1.495 1.00 0.00 C ATOM 702 O GLY A 109 -5.714 -3.110 2.319 1.00 0.00 O ATOM 0 H GLY A 109 -7.509 -3.016 3.676 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.243 -4.808 1.686 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.504 -3.210 1.014 1.00 0.00 H new ATOM 706 N PHE A 110 -6.036 -4.121 0.338 1.00 0.00 N ATOM 707 CA PHE A 110 -4.639 -4.071 -0.047 1.00 0.00 C ATOM 708 C PHE A 110 -4.330 -2.782 -0.798 1.00 0.00 C ATOM 709 O PHE A 110 -5.149 -2.298 -1.579 1.00 0.00 O ATOM 710 CB PHE A 110 -4.308 -5.281 -0.912 1.00 0.00 C ATOM 711 CG PHE A 110 -3.753 -6.439 -0.135 1.00 0.00 C ATOM 712 CD1 PHE A 110 -4.422 -6.927 0.976 1.00 0.00 C ATOM 713 CD2 PHE A 110 -2.563 -7.040 -0.515 1.00 0.00 C ATOM 714 CE1 PHE A 110 -3.915 -7.994 1.694 1.00 0.00 C ATOM 715 CE2 PHE A 110 -2.051 -8.107 0.199 1.00 0.00 C ATOM 716 CZ PHE A 110 -2.728 -8.584 1.306 1.00 0.00 C ATOM 0 H PHE A 110 -6.646 -4.557 -0.354 1.00 0.00 H new ATOM 0 HA PHE A 110 -4.024 -4.091 0.853 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.210 -5.602 -1.433 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.587 -4.986 -1.674 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -5.350 -6.469 1.284 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -2.030 -6.670 -1.379 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.447 -8.366 2.557 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.123 -8.567 -0.107 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.329 -9.417 1.866 1.00 0.00 H new ATOM 726 N ILE A 111 -3.152 -2.223 -0.554 1.00 0.00 N ATOM 727 CA ILE A 111 -2.754 -0.983 -1.205 1.00 0.00 C ATOM 728 C ILE A 111 -1.316 -1.036 -1.710 1.00 0.00 C ATOM 729 O ILE A 111 -0.443 -1.646 -1.093 1.00 0.00 O ATOM 730 CB ILE A 111 -2.888 0.218 -0.248 1.00 0.00 C ATOM 731 CG1 ILE A 111 -1.977 0.015 0.965 1.00 0.00 C ATOM 732 CG2 ILE A 111 -4.338 0.407 0.171 1.00 0.00 C ATOM 733 CD1 ILE A 111 -1.482 1.304 1.581 1.00 0.00 C ATOM 0 H ILE A 111 -2.458 -2.607 0.087 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.426 -0.859 -2.054 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.575 1.126 -0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.517 -0.554 1.722 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.119 -0.587 0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.413 1.259 0.846 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.951 0.588 -0.712 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.690 -0.491 0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.843 1.078 2.434 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.913 1.866 0.841 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.333 1.899 1.913 1.00 0.00 H new ATOM 745 N PRO A 112 -1.062 -0.364 -2.835 1.00 0.00 N ATOM 746 CA PRO A 112 0.263 -0.285 -3.437 1.00 0.00 C ATOM 747 C PRO A 112 1.293 0.252 -2.445 1.00 0.00 C ATOM 748 O PRO A 112 1.162 1.373 -1.951 1.00 0.00 O ATOM 749 CB PRO A 112 0.082 0.689 -4.610 1.00 0.00 C ATOM 750 CG PRO A 112 -1.237 1.347 -4.382 1.00 0.00 C ATOM 751 CD PRO A 112 -2.056 0.389 -3.589 1.00 0.00 C ATOM 0 HA PRO A 112 0.633 -1.262 -3.750 1.00 0.00 H new ATOM 0 HB2 PRO A 112 0.887 1.423 -4.638 1.00 0.00 H new ATOM 0 HB3 PRO A 112 0.098 0.162 -5.564 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.114 2.288 -3.846 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.723 1.581 -5.329 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -2.753 0.906 -2.930 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.649 -0.261 -4.233 1.00 0.00 H new ATOM 759 N PHE A 113 2.304 -0.555 -2.139 1.00 0.00 N ATOM 760 CA PHE A 113 3.337 -0.158 -1.185 1.00 0.00 C ATOM 761 C PHE A 113 4.050 1.128 -1.614 1.00 0.00 C ATOM 762 O PHE A 113 4.681 1.793 -0.793 1.00 0.00 O ATOM 763 CB PHE A 113 4.348 -1.297 -0.991 1.00 0.00 C ATOM 764 CG PHE A 113 5.412 -1.369 -2.054 1.00 0.00 C ATOM 765 CD1 PHE A 113 5.098 -1.157 -3.388 1.00 0.00 C ATOM 766 CD2 PHE A 113 6.726 -1.646 -1.716 1.00 0.00 C ATOM 767 CE1 PHE A 113 6.076 -1.221 -4.363 1.00 0.00 C ATOM 768 CE2 PHE A 113 7.709 -1.711 -2.687 1.00 0.00 C ATOM 769 CZ PHE A 113 7.383 -1.498 -4.011 1.00 0.00 C ATOM 0 H PHE A 113 2.431 -1.486 -2.536 1.00 0.00 H new ATOM 0 HA PHE A 113 2.845 0.047 -0.234 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.829 -1.179 -0.020 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.810 -2.245 -0.967 1.00 0.00 H new ATOM 0 HD1 PHE A 113 4.078 -0.939 -3.668 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.987 -1.813 -0.681 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.819 -1.055 -5.399 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.730 -1.928 -2.409 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.149 -1.548 -4.771 1.00 0.00 H new ATOM 779 N ASN A 114 3.950 1.475 -2.894 1.00 0.00 N ATOM 780 CA ASN A 114 4.592 2.682 -3.408 1.00 0.00 C ATOM 781 C ASN A 114 3.575 3.802 -3.603 1.00 0.00 C ATOM 782 O ASN A 114 3.686 4.603 -4.532 1.00 0.00 O ATOM 783 CB ASN A 114 5.297 2.382 -4.733 1.00 0.00 C ATOM 784 CG ASN A 114 4.426 1.588 -5.687 1.00 0.00 C ATOM 785 OD1 ASN A 114 4.128 0.418 -5.446 1.00 0.00 O ATOM 786 ND2 ASN A 114 4.014 2.222 -6.779 1.00 0.00 N ATOM 0 H ASN A 114 3.433 0.940 -3.592 1.00 0.00 H new ATOM 0 HA ASN A 114 5.329 3.011 -2.676 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.588 3.320 -5.207 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.214 1.827 -4.535 1.00 0.00 H new ATOM 0 HD21 ASN A 114 3.426 1.739 -7.458 1.00 0.00 H new ATOM 0 HD22 ASN A 114 4.285 3.192 -6.938 1.00 0.00 H new ATOM 793 N PHE A 115 2.579 3.843 -2.727 1.00 0.00 N ATOM 794 CA PHE A 115 1.527 4.852 -2.801 1.00 0.00 C ATOM 795 C PHE A 115 1.433 5.662 -1.512 1.00 0.00 C ATOM 796 O PHE A 115 1.016 6.821 -1.526 1.00 0.00 O ATOM 797 CB PHE A 115 0.185 4.167 -3.047 1.00 0.00 C ATOM 798 CG PHE A 115 -0.620 4.743 -4.174 1.00 0.00 C ATOM 799 CD1 PHE A 115 -1.334 5.920 -4.007 1.00 0.00 C ATOM 800 CD2 PHE A 115 -0.690 4.091 -5.393 1.00 0.00 C ATOM 801 CE1 PHE A 115 -2.096 6.433 -5.036 1.00 0.00 C ATOM 802 CE2 PHE A 115 -1.455 4.597 -6.422 1.00 0.00 C ATOM 803 CZ PHE A 115 -2.159 5.770 -6.245 1.00 0.00 C ATOM 0 H PHE A 115 2.477 3.186 -1.953 1.00 0.00 H new ATOM 0 HA PHE A 115 1.772 5.530 -3.619 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.364 3.111 -3.250 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.407 4.220 -2.133 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.293 6.440 -3.062 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -0.138 3.174 -5.540 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -2.643 7.353 -4.896 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -1.503 4.075 -7.366 1.00 0.00 H new ATOM 0 HZ PHE A 115 -2.758 6.169 -7.050 1.00 0.00 H new ATOM 813 N VAL A 116 1.777 5.032 -0.394 1.00 0.00 N ATOM 814 CA VAL A 116 1.679 5.686 0.903 1.00 0.00 C ATOM 815 C VAL A 116 3.031 6.047 1.507 1.00 0.00 C ATOM 816 O VAL A 116 4.032 5.360 1.302 1.00 0.00 O ATOM 817 CB VAL A 116 0.917 4.798 1.902 1.00 0.00 C ATOM 818 CG1 VAL A 116 -0.524 4.619 1.454 1.00 0.00 C ATOM 819 CG2 VAL A 116 1.611 3.448 2.069 1.00 0.00 C ATOM 0 H VAL A 116 2.125 4.074 -0.361 1.00 0.00 H new ATOM 0 HA VAL A 116 1.139 6.615 0.721 1.00 0.00 H new ATOM 0 HB VAL A 116 0.915 5.292 2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.052 3.989 2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -1.012 5.592 1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -0.544 4.147 0.472 1.00 0.00 H new ATOM 0 HG21 VAL A 116 1.054 2.838 2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.651 2.938 1.107 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.624 3.603 2.440 1.00 0.00 H new ATOM 829 N ALA A 117 3.023 7.129 2.282 1.00 0.00 N ATOM 830 CA ALA A 117 4.208 7.615 2.970 1.00 0.00 C ATOM 831 C ALA A 117 3.829 8.046 4.383 1.00 0.00 C ATOM 832 O ALA A 117 2.775 8.644 4.587 1.00 0.00 O ATOM 833 CB ALA A 117 4.835 8.772 2.204 1.00 0.00 C ATOM 0 H ALA A 117 2.189 7.693 2.449 1.00 0.00 H new ATOM 0 HA ALA A 117 4.945 6.814 3.026 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.720 9.122 2.734 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.119 8.437 1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.115 9.587 2.122 1.00 0.00 H new ATOM 839 N LYS A 118 4.677 7.726 5.356 1.00 0.00 N ATOM 840 CA LYS A 118 4.410 8.065 6.756 1.00 0.00 C ATOM 841 C LYS A 118 3.782 9.448 6.903 1.00 0.00 C ATOM 842 O LYS A 118 4.178 10.395 6.224 1.00 0.00 O ATOM 843 CB LYS A 118 5.706 7.999 7.567 1.00 0.00 C ATOM 844 CG LYS A 118 6.312 6.606 7.633 1.00 0.00 C ATOM 845 CD LYS A 118 5.265 5.564 7.984 1.00 0.00 C ATOM 846 CE LYS A 118 5.868 4.171 8.069 1.00 0.00 C ATOM 847 NZ LYS A 118 4.826 3.126 8.272 1.00 0.00 N ATOM 0 H LYS A 118 5.556 7.232 5.204 1.00 0.00 H new ATOM 0 HA LYS A 118 3.696 7.335 7.137 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.434 8.682 7.130 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.509 8.349 8.580 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.766 6.359 6.673 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.109 6.589 8.377 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.802 5.819 8.937 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.475 5.574 7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 118 6.422 3.959 7.154 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.583 4.135 8.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 5.255 2.291 8.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 4.074 3.500 8.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 4.421 2.857 7.353 1.00 0.00 H new ATOM 861 N ALA A 119 2.801 9.553 7.800 1.00 0.00 N ATOM 862 CA ALA A 119 2.115 10.823 8.047 1.00 0.00 C ATOM 863 C ALA A 119 3.039 11.815 8.750 1.00 0.00 C ATOM 864 O ALA A 119 2.704 12.349 9.808 1.00 0.00 O ATOM 865 CB ALA A 119 0.849 10.610 8.875 1.00 0.00 C ATOM 0 H ALA A 119 2.463 8.775 8.367 1.00 0.00 H new ATOM 0 HA ALA A 119 1.831 11.237 7.080 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.359 11.569 9.044 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.171 9.946 8.339 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.112 10.163 9.834 1.00 0.00 H new ATOM 871 N ASN A 120 4.201 12.056 8.156 1.00 0.00 N ATOM 872 CA ASN A 120 5.173 12.981 8.724 1.00 0.00 C ATOM 873 C ASN A 120 5.955 13.693 7.624 1.00 0.00 C ATOM 874 O ASN A 120 6.487 14.791 7.893 1.00 0.00 O ATOM 875 CB ASN A 120 6.138 12.235 9.648 1.00 0.00 C ATOM 876 CG ASN A 120 6.723 10.999 8.996 1.00 0.00 C ATOM 877 OD1 ASN A 120 6.843 10.926 7.773 1.00 0.00 O ATOM 878 ND2 ASN A 120 7.091 10.017 9.811 1.00 0.00 N ATOM 879 OXT ASN A 120 6.028 13.148 6.503 1.00 0.00 O ATOM 0 H ASN A 120 4.493 11.623 7.280 1.00 0.00 H new ATOM 0 HA ASN A 120 4.630 13.729 9.302 1.00 0.00 H new ATOM 0 HB2 ASN A 120 6.946 12.905 9.942 1.00 0.00 H new ATOM 0 HB3 ASN A 120 5.615 11.948 10.560 1.00 0.00 H new ATOM 0 HD21 ASN A 120 7.491 9.160 9.429 1.00 0.00 H new ATOM 0 HD22 ASN A 120 6.974 10.120 10.819 1.00 0.00 H new