USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=10 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= -1.85! USER MOD Set 1.2: A 107 GLN : amide:sc= -4.07! C(o=-5.9!,f=-5.7!) USER MOD Single : A 70 HIS : no HE2:sc= -5.74! C(o=-5.7!,f=-6.4!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0772 USER MOD Single : A 72 TYR OH : rot 64:sc= -1.19! 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= -0.232 X(o=-0.23,f=0) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 94 SER OG : rot 180:sc= 0.038 USER MOD Single : A 99 LYS NZ :NH3+ -133:sc= -2.52 (180deg=-6.86!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.089 USER MOD Single : A 104 THR OG1 : rot 126:sc= 0.204 USER MOD Single : A 114 ASN : amide:sc= -0.62 K(o=-0.62,f=-7.7!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN :FLIP amide:sc= 0.692 F(o=-0.011,f=0.69) USER MOD ----------------------------------------------------------------- ATOM 15 N LEU A 65 0.872 3.888 10.802 1.00 0.00 N ATOM 16 CA LEU A 65 0.043 4.633 9.883 1.00 0.00 C ATOM 17 C LEU A 65 0.861 5.399 8.866 1.00 0.00 C ATOM 18 O LEU A 65 1.922 5.949 9.162 1.00 0.00 O ATOM 19 CB LEU A 65 -0.882 5.586 10.627 1.00 0.00 C ATOM 20 CG LEU A 65 -1.582 6.607 9.748 1.00 0.00 C ATOM 21 CD1 LEU A 65 -2.416 5.897 8.697 1.00 0.00 C ATOM 22 CD2 LEU A 65 -2.439 7.546 10.582 1.00 0.00 C ATOM 0 HA LEU A 65 -0.559 3.901 9.345 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.637 5.001 11.153 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.303 6.115 11.384 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.828 7.212 9.245 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.916 6.635 8.070 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.769 5.274 8.079 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.163 5.272 9.186 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.930 8.268 9.929 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.193 6.970 11.118 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.809 8.074 11.298 1.00 0.00 H new ATOM 34 N VAL A 66 0.329 5.420 7.663 1.00 0.00 N ATOM 35 CA VAL A 66 0.946 6.102 6.542 1.00 0.00 C ATOM 36 C VAL A 66 -0.001 7.116 5.920 1.00 0.00 C ATOM 37 O VAL A 66 -1.119 7.318 6.388 1.00 0.00 O ATOM 38 CB VAL A 66 1.355 5.104 5.458 1.00 0.00 C ATOM 39 CG1 VAL A 66 2.653 4.407 5.828 1.00 0.00 C ATOM 40 CG2 VAL A 66 0.246 4.094 5.207 1.00 0.00 C ATOM 0 H VAL A 66 -0.552 4.961 7.432 1.00 0.00 H new ATOM 0 HA VAL A 66 1.825 6.616 6.930 1.00 0.00 H new ATOM 0 HB VAL A 66 1.522 5.656 4.533 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.924 3.702 5.042 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.445 5.148 5.940 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.523 3.870 6.768 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.560 3.394 4.432 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.037 3.547 6.126 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.654 4.615 4.882 1.00 0.00 H new ATOM 50 N ILE A 67 0.455 7.742 4.847 1.00 0.00 N ATOM 51 CA ILE A 67 -0.347 8.721 4.139 1.00 0.00 C ATOM 52 C ILE A 67 -0.065 8.672 2.644 1.00 0.00 C ATOM 53 O ILE A 67 1.082 8.773 2.207 1.00 0.00 O ATOM 54 CB ILE A 67 -0.138 10.149 4.702 1.00 0.00 C ATOM 55 CG1 ILE A 67 -1.383 10.545 5.484 1.00 0.00 C ATOM 56 CG2 ILE A 67 0.143 11.157 3.594 1.00 0.00 C ATOM 57 CD1 ILE A 67 -1.439 11.999 5.903 1.00 0.00 C ATOM 0 H ILE A 67 1.381 7.587 4.448 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.395 8.464 4.296 1.00 0.00 H new ATOM 0 HB ILE A 67 0.734 10.149 5.357 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.261 10.323 4.877 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.447 9.922 6.376 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.284 12.146 4.029 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.045 10.865 3.057 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.699 11.181 2.902 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.362 12.184 6.453 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.584 12.227 6.540 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.411 12.634 5.018 1.00 0.00 H new ATOM 69 N ALA A 68 -1.126 8.498 1.872 1.00 0.00 N ATOM 70 CA ALA A 68 -1.017 8.410 0.420 1.00 0.00 C ATOM 71 C ALA A 68 -0.425 9.678 -0.184 1.00 0.00 C ATOM 72 O ALA A 68 -0.564 10.771 0.364 1.00 0.00 O ATOM 73 CB ALA A 68 -2.377 8.115 -0.195 1.00 0.00 C ATOM 0 H ALA A 68 -2.079 8.414 2.227 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.336 7.590 0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.280 8.052 -1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.753 7.168 0.191 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.073 8.914 0.061 1.00 0.00 H new ATOM 79 N LEU A 69 0.232 9.514 -1.327 1.00 0.00 N ATOM 80 CA LEU A 69 0.850 10.630 -2.034 1.00 0.00 C ATOM 81 C LEU A 69 0.252 10.787 -3.432 1.00 0.00 C ATOM 82 O LEU A 69 0.754 11.560 -4.246 1.00 0.00 O ATOM 83 CB LEU A 69 2.358 10.403 -2.147 1.00 0.00 C ATOM 84 CG LEU A 69 3.125 10.489 -0.824 1.00 0.00 C ATOM 85 CD1 LEU A 69 4.607 10.188 -1.028 1.00 0.00 C ATOM 86 CD2 LEU A 69 2.946 11.865 -0.204 1.00 0.00 C ATOM 0 H LEU A 69 0.351 8.611 -1.787 1.00 0.00 H new ATOM 0 HA LEU A 69 0.658 11.541 -1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.531 9.421 -2.587 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.771 11.139 -2.838 1.00 0.00 H new ATOM 0 HG LEU A 69 2.719 9.739 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.127 10.256 -0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.722 9.182 -1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.032 10.910 -1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.496 11.915 0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.326 12.624 -0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.888 12.044 -0.015 1.00 0.00 H new ATOM 98 N HIS A 70 -0.812 10.037 -3.709 1.00 0.00 N ATOM 99 CA HIS A 70 -1.463 10.083 -5.013 1.00 0.00 C ATOM 100 C HIS A 70 -2.832 9.411 -4.957 1.00 0.00 C ATOM 101 O HIS A 70 -3.007 8.399 -4.279 1.00 0.00 O ATOM 102 CB HIS A 70 -0.591 9.396 -6.082 1.00 0.00 C ATOM 103 CG HIS A 70 0.637 8.714 -5.543 1.00 0.00 C ATOM 104 ND1 HIS A 70 1.840 8.697 -6.213 1.00 0.00 N ATOM 105 CD2 HIS A 70 0.845 8.030 -4.391 1.00 0.00 C ATOM 106 CE1 HIS A 70 2.733 8.036 -5.499 1.00 0.00 C ATOM 107 NE2 HIS A 70 2.156 7.622 -4.387 1.00 0.00 N ATOM 0 H HIS A 70 -1.241 9.390 -3.047 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.594 11.131 -5.284 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.198 8.660 -6.609 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.284 10.141 -6.816 1.00 0.00 H new ATOM 0 HD1 HIS A 70 2.014 9.128 -7.121 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.114 7.841 -3.619 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.762 7.863 -5.778 1.00 0.00 H new ATOM 116 N SER A 71 -3.798 9.974 -5.678 1.00 0.00 N ATOM 117 CA SER A 71 -5.146 9.416 -5.711 1.00 0.00 C ATOM 118 C SER A 71 -5.109 7.964 -6.169 1.00 0.00 C ATOM 119 O SER A 71 -4.570 7.652 -7.230 1.00 0.00 O ATOM 120 CB SER A 71 -6.042 10.232 -6.643 1.00 0.00 C ATOM 121 OG SER A 71 -5.563 11.558 -6.782 1.00 0.00 O ATOM 0 H SER A 71 -3.673 10.813 -6.245 1.00 0.00 H new ATOM 0 HA SER A 71 -5.557 9.458 -4.702 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.085 9.754 -7.621 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.059 10.249 -6.251 1.00 0.00 H new ATOM 0 HG SER A 71 -6.153 12.058 -7.384 1.00 0.00 H new ATOM 127 N TYR A 72 -5.666 7.073 -5.357 1.00 0.00 N ATOM 128 CA TYR A 72 -5.669 5.648 -5.685 1.00 0.00 C ATOM 129 C TYR A 72 -7.027 5.159 -6.174 1.00 0.00 C ATOM 130 O TYR A 72 -8.075 5.623 -5.723 1.00 0.00 O ATOM 131 CB TYR A 72 -5.248 4.810 -4.479 1.00 0.00 C ATOM 132 CG TYR A 72 -4.975 3.365 -4.829 1.00 0.00 C ATOM 133 CD1 TYR A 72 -4.159 3.030 -5.903 1.00 0.00 C ATOM 134 CD2 TYR A 72 -5.545 2.336 -4.094 1.00 0.00 C ATOM 135 CE1 TYR A 72 -3.921 1.711 -6.231 1.00 0.00 C ATOM 136 CE2 TYR A 72 -5.306 1.014 -4.413 1.00 0.00 C ATOM 137 CZ TYR A 72 -4.495 0.707 -5.483 1.00 0.00 C ATOM 138 OH TYR A 72 -4.266 -0.606 -5.809 1.00 0.00 O ATOM 0 H TYR A 72 -6.118 7.307 -4.473 1.00 0.00 H new ATOM 0 HA TYR A 72 -4.951 5.525 -6.496 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.353 5.246 -4.036 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.032 4.853 -3.723 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.704 3.814 -6.490 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.187 2.573 -3.258 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.287 1.467 -7.071 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.753 0.225 -3.826 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.315 -0.811 -5.691 1.00 0.00 H new ATOM 148 N GLU A 73 -6.984 4.194 -7.088 1.00 0.00 N ATOM 149 CA GLU A 73 -8.178 3.593 -7.645 1.00 0.00 C ATOM 150 C GLU A 73 -8.003 2.077 -7.739 1.00 0.00 C ATOM 151 O GLU A 73 -7.452 1.562 -8.712 1.00 0.00 O ATOM 152 CB GLU A 73 -8.461 4.177 -9.012 1.00 0.00 C ATOM 153 CG GLU A 73 -9.763 4.947 -9.080 1.00 0.00 C ATOM 154 CD GLU A 73 -9.878 5.792 -10.334 1.00 0.00 C ATOM 155 OE1 GLU A 73 -10.217 5.233 -11.398 1.00 0.00 O ATOM 156 OE2 GLU A 73 -9.630 7.013 -10.252 1.00 0.00 O ATOM 0 H GLU A 73 -6.115 3.810 -7.460 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.024 3.807 -6.992 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.641 4.838 -9.293 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.486 3.371 -9.745 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.597 4.246 -9.041 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.846 5.591 -8.204 1.00 0.00 H new ATOM 163 N PRO A 74 -8.467 1.353 -6.713 1.00 0.00 N ATOM 164 CA PRO A 74 -8.378 -0.101 -6.623 1.00 0.00 C ATOM 165 C PRO A 74 -8.558 -0.802 -7.966 1.00 0.00 C ATOM 166 O PRO A 74 -9.529 -0.561 -8.684 1.00 0.00 O ATOM 167 CB PRO A 74 -9.520 -0.469 -5.659 1.00 0.00 C ATOM 168 CG PRO A 74 -10.115 0.830 -5.198 1.00 0.00 C ATOM 169 CD PRO A 74 -9.120 1.900 -5.538 1.00 0.00 C ATOM 0 HA PRO A 74 -7.392 -0.420 -6.285 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.268 -1.084 -6.159 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.145 -1.047 -4.814 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.069 1.016 -5.692 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.310 0.808 -4.126 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.604 2.854 -5.749 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.415 2.073 -4.725 1.00 0.00 H new ATOM 177 N SER A 75 -7.611 -1.677 -8.292 1.00 0.00 N ATOM 178 CA SER A 75 -7.649 -2.426 -9.542 1.00 0.00 C ATOM 179 C SER A 75 -7.533 -3.925 -9.278 1.00 0.00 C ATOM 180 O SER A 75 -8.235 -4.729 -9.891 1.00 0.00 O ATOM 181 CB SER A 75 -6.521 -1.971 -10.469 1.00 0.00 C ATOM 182 OG SER A 75 -6.289 -0.579 -10.344 1.00 0.00 O ATOM 0 H SER A 75 -6.804 -1.885 -7.704 1.00 0.00 H new ATOM 0 HA SER A 75 -8.606 -2.231 -10.026 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.608 -2.518 -10.232 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.776 -2.209 -11.502 1.00 0.00 H new ATOM 0 HG SER A 75 -5.562 -0.313 -10.945 1.00 0.00 H new ATOM 188 N HIS A 76 -6.645 -4.293 -8.356 1.00 0.00 N ATOM 189 CA HIS A 76 -6.441 -5.695 -8.008 1.00 0.00 C ATOM 190 C HIS A 76 -7.530 -6.176 -7.054 1.00 0.00 C ATOM 191 O HIS A 76 -8.143 -5.379 -6.343 1.00 0.00 O ATOM 192 CB HIS A 76 -5.062 -5.895 -7.374 1.00 0.00 C ATOM 193 CG HIS A 76 -4.027 -6.390 -8.336 1.00 0.00 C ATOM 194 ND1 HIS A 76 -3.244 -7.500 -8.094 1.00 0.00 N ATOM 195 CD2 HIS A 76 -3.646 -5.921 -9.548 1.00 0.00 C ATOM 196 CE1 HIS A 76 -2.428 -7.691 -9.114 1.00 0.00 C ATOM 197 NE2 HIS A 76 -2.651 -6.748 -10.010 1.00 0.00 N ATOM 0 H HIS A 76 -6.057 -3.640 -7.838 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.495 -6.284 -8.924 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.727 -4.950 -6.947 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -5.149 -6.604 -6.550 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -4.049 -5.058 -10.057 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -1.701 -8.485 -9.201 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -2.164 -6.649 -10.901 1.00 0.00 H new ATOM 206 N ASP A 77 -7.766 -7.484 -7.041 1.00 0.00 N ATOM 207 CA ASP A 77 -8.781 -8.068 -6.172 1.00 0.00 C ATOM 208 C ASP A 77 -8.376 -7.946 -4.707 1.00 0.00 C ATOM 209 O ASP A 77 -7.255 -8.292 -4.331 1.00 0.00 O ATOM 210 CB ASP A 77 -9.005 -9.538 -6.531 1.00 0.00 C ATOM 211 CG ASP A 77 -7.741 -10.365 -6.398 1.00 0.00 C ATOM 212 OD1 ASP A 77 -6.844 -10.220 -7.255 1.00 0.00 O ATOM 213 OD2 ASP A 77 -7.648 -11.158 -5.437 1.00 0.00 O ATOM 0 H ASP A 77 -7.269 -8.159 -7.622 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.711 -7.520 -6.321 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.777 -9.954 -5.884 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.375 -9.607 -7.554 1.00 0.00 H new ATOM 218 N GLY A 78 -9.294 -7.452 -3.882 1.00 0.00 N ATOM 219 CA GLY A 78 -9.010 -7.293 -2.467 1.00 0.00 C ATOM 220 C GLY A 78 -8.156 -6.077 -2.182 1.00 0.00 C ATOM 221 O GLY A 78 -7.342 -6.086 -1.259 1.00 0.00 O ATOM 0 H GLY A 78 -10.228 -7.159 -4.167 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.948 -7.211 -1.918 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.502 -8.184 -2.099 1.00 0.00 H new ATOM 225 N ASP A 79 -8.340 -5.023 -2.973 1.00 0.00 N ATOM 226 CA ASP A 79 -7.575 -3.796 -2.793 1.00 0.00 C ATOM 227 C ASP A 79 -8.414 -2.721 -2.116 1.00 0.00 C ATOM 228 O ASP A 79 -9.642 -2.720 -2.207 1.00 0.00 O ATOM 229 CB ASP A 79 -7.061 -3.283 -4.136 1.00 0.00 C ATOM 230 CG ASP A 79 -6.028 -4.206 -4.749 1.00 0.00 C ATOM 231 OD1 ASP A 79 -6.251 -5.435 -4.745 1.00 0.00 O ATOM 232 OD2 ASP A 79 -4.993 -3.699 -5.230 1.00 0.00 O ATOM 0 H ASP A 79 -9.010 -4.995 -3.742 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.725 -4.026 -2.151 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.899 -3.172 -4.824 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.625 -2.293 -4.001 1.00 0.00 H new ATOM 237 N LEU A 80 -7.734 -1.802 -1.445 1.00 0.00 N ATOM 238 CA LEU A 80 -8.394 -0.705 -0.753 1.00 0.00 C ATOM 239 C LEU A 80 -8.110 0.610 -1.472 1.00 0.00 C ATOM 240 O LEU A 80 -6.963 0.913 -1.800 1.00 0.00 O ATOM 241 CB LEU A 80 -7.915 -0.639 0.706 1.00 0.00 C ATOM 242 CG LEU A 80 -7.984 0.739 1.370 1.00 0.00 C ATOM 243 CD1 LEU A 80 -9.429 1.151 1.609 1.00 0.00 C ATOM 244 CD2 LEU A 80 -7.207 0.738 2.677 1.00 0.00 C ATOM 0 H LEU A 80 -6.717 -1.795 -1.365 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.470 -0.876 -0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.511 -1.335 1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.883 -0.989 0.746 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.530 1.466 0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.454 2.133 2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.958 1.193 0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.912 0.423 2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.266 1.725 3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.633 -0.003 3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.164 0.491 2.480 1.00 0.00 H new ATOM 256 N GLY A 81 -9.158 1.387 -1.714 1.00 0.00 N ATOM 257 CA GLY A 81 -8.989 2.656 -2.391 1.00 0.00 C ATOM 258 C GLY A 81 -8.875 3.812 -1.425 1.00 0.00 C ATOM 259 O GLY A 81 -9.524 3.828 -0.380 1.00 0.00 O ATOM 0 H GLY A 81 -10.118 1.161 -1.454 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.095 2.617 -3.014 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.835 2.825 -3.058 1.00 0.00 H new ATOM 263 N PHE A 82 -8.043 4.781 -1.777 1.00 0.00 N ATOM 264 CA PHE A 82 -7.834 5.950 -0.938 1.00 0.00 C ATOM 265 C PHE A 82 -7.546 7.176 -1.784 1.00 0.00 C ATOM 266 O PHE A 82 -7.453 7.092 -3.009 1.00 0.00 O ATOM 267 CB PHE A 82 -6.682 5.716 0.039 1.00 0.00 C ATOM 268 CG PHE A 82 -5.539 4.925 -0.538 1.00 0.00 C ATOM 269 CD1 PHE A 82 -5.687 3.579 -0.830 1.00 0.00 C ATOM 270 CD2 PHE A 82 -4.316 5.529 -0.788 1.00 0.00 C ATOM 271 CE1 PHE A 82 -4.638 2.852 -1.361 1.00 0.00 C ATOM 272 CE2 PHE A 82 -3.263 4.803 -1.318 1.00 0.00 C ATOM 273 CZ PHE A 82 -3.427 3.464 -1.605 1.00 0.00 C ATOM 0 H PHE A 82 -7.500 4.780 -2.641 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.749 6.120 -0.371 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.307 6.681 0.380 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.064 5.195 0.917 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.632 3.092 -0.641 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.183 6.578 -0.567 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.767 1.803 -1.585 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.315 5.284 -1.506 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.608 2.896 -2.020 1.00 0.00 H new ATOM 283 N GLU A 83 -7.408 8.315 -1.123 1.00 0.00 N ATOM 284 CA GLU A 83 -7.132 9.562 -1.814 1.00 0.00 C ATOM 285 C GLU A 83 -5.710 10.033 -1.537 1.00 0.00 C ATOM 286 O GLU A 83 -5.017 9.481 -0.684 1.00 0.00 O ATOM 287 CB GLU A 83 -8.132 10.623 -1.364 1.00 0.00 C ATOM 288 CG GLU A 83 -9.193 10.935 -2.402 1.00 0.00 C ATOM 289 CD GLU A 83 -9.411 12.424 -2.589 1.00 0.00 C ATOM 290 OE1 GLU A 83 -10.072 13.040 -1.728 1.00 0.00 O ATOM 291 OE2 GLU A 83 -8.919 12.973 -3.598 1.00 0.00 O ATOM 0 H GLU A 83 -7.483 8.400 -0.109 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.231 9.398 -2.887 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.619 10.287 -0.449 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.593 11.539 -1.121 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.904 10.492 -3.355 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.133 10.469 -2.106 1.00 0.00 H new ATOM 298 N LYS A 84 -5.282 11.069 -2.249 1.00 0.00 N ATOM 299 CA LYS A 84 -3.951 11.617 -2.048 1.00 0.00 C ATOM 300 C LYS A 84 -3.906 12.321 -0.697 1.00 0.00 C ATOM 301 O LYS A 84 -4.759 13.156 -0.392 1.00 0.00 O ATOM 302 CB LYS A 84 -3.586 12.569 -3.189 1.00 0.00 C ATOM 303 CG LYS A 84 -2.457 13.536 -2.858 1.00 0.00 C ATOM 304 CD LYS A 84 -2.524 14.786 -3.718 1.00 0.00 C ATOM 305 CE LYS A 84 -1.950 14.542 -5.104 1.00 0.00 C ATOM 306 NZ LYS A 84 -1.129 15.692 -5.576 1.00 0.00 N ATOM 0 H LYS A 84 -5.834 11.542 -2.965 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.215 10.813 -2.051 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.301 11.981 -4.061 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.471 13.142 -3.466 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.512 13.814 -1.805 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.497 13.041 -3.008 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.560 15.114 -3.805 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.974 15.592 -3.233 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.338 13.640 -5.090 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.763 14.364 -5.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.756 15.486 -6.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.719 16.547 -5.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.338 15.847 -4.919 1.00 0.00 H new ATOM 320 N GLY A 85 -2.934 11.950 0.123 1.00 0.00 N ATOM 321 CA GLY A 85 -2.826 12.523 1.451 1.00 0.00 C ATOM 322 C GLY A 85 -3.639 11.735 2.458 1.00 0.00 C ATOM 323 O GLY A 85 -3.431 11.855 3.665 1.00 0.00 O ATOM 0 H GLY A 85 -2.217 11.262 -0.107 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.780 12.540 1.758 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.170 13.557 1.432 1.00 0.00 H new ATOM 327 N GLU A 86 -4.557 10.907 1.956 1.00 0.00 N ATOM 328 CA GLU A 86 -5.390 10.073 2.807 1.00 0.00 C ATOM 329 C GLU A 86 -4.519 9.266 3.749 1.00 0.00 C ATOM 330 O GLU A 86 -3.309 9.165 3.551 1.00 0.00 O ATOM 331 CB GLU A 86 -6.228 9.123 1.945 1.00 0.00 C ATOM 332 CG GLU A 86 -7.645 8.851 2.438 1.00 0.00 C ATOM 333 CD GLU A 86 -8.049 9.661 3.659 1.00 0.00 C ATOM 334 OE1 GLU A 86 -7.773 9.209 4.790 1.00 0.00 O ATOM 335 OE2 GLU A 86 -8.639 10.747 3.481 1.00 0.00 O ATOM 0 H GLU A 86 -4.739 10.800 0.958 1.00 0.00 H new ATOM 0 HA GLU A 86 -6.054 10.713 3.389 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.287 9.535 0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.701 8.172 1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.345 9.061 1.629 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.738 7.791 2.673 1.00 0.00 H new ATOM 342 N GLN A 87 -5.131 8.690 4.766 1.00 0.00 N ATOM 343 CA GLN A 87 -4.390 7.893 5.728 1.00 0.00 C ATOM 344 C GLN A 87 -4.958 6.492 5.837 1.00 0.00 C ATOM 345 O GLN A 87 -6.164 6.273 5.718 1.00 0.00 O ATOM 346 CB GLN A 87 -4.382 8.560 7.100 1.00 0.00 C ATOM 347 CG GLN A 87 -4.141 10.056 7.041 1.00 0.00 C ATOM 348 CD GLN A 87 -4.984 10.825 8.040 1.00 0.00 C ATOM 349 OE1 GLN A 87 -5.825 11.640 7.661 1.00 0.00 O ATOM 350 NE2 GLN A 87 -4.762 10.569 9.323 1.00 0.00 N ATOM 0 H GLN A 87 -6.132 8.757 4.948 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.364 7.821 5.368 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.336 8.372 7.593 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.609 8.099 7.715 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.087 10.258 7.230 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.359 10.415 6.035 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.055 9.885 9.592 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.299 11.056 10.041 1.00 0.00 H new ATOM 359 N LEU A 88 -4.063 5.552 6.067 1.00 0.00 N ATOM 360 CA LEU A 88 -4.423 4.149 6.205 1.00 0.00 C ATOM 361 C LEU A 88 -3.522 3.477 7.215 1.00 0.00 C ATOM 362 O LEU A 88 -2.297 3.553 7.120 1.00 0.00 O ATOM 363 CB LEU A 88 -4.302 3.407 4.875 1.00 0.00 C ATOM 364 CG LEU A 88 -4.521 4.248 3.620 1.00 0.00 C ATOM 365 CD1 LEU A 88 -3.457 3.926 2.584 1.00 0.00 C ATOM 366 CD2 LEU A 88 -5.910 3.999 3.064 1.00 0.00 C ATOM 0 H LEU A 88 -3.064 5.736 6.164 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.460 4.111 6.539 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.310 2.959 4.820 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.022 2.589 4.871 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.439 5.304 3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.622 4.531 1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.471 4.146 2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.513 2.870 2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.057 4.603 2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.017 2.944 2.811 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.655 4.271 3.812 1.00 0.00 H new ATOM 378 N ARG A 89 -4.128 2.801 8.166 1.00 0.00 N ATOM 379 CA ARG A 89 -3.380 2.099 9.173 1.00 0.00 C ATOM 380 C ARG A 89 -2.895 0.775 8.601 1.00 0.00 C ATOM 381 O ARG A 89 -3.664 -0.171 8.441 1.00 0.00 O ATOM 382 CB ARG A 89 -4.241 1.883 10.408 1.00 0.00 C ATOM 383 CG ARG A 89 -3.632 0.903 11.373 1.00 0.00 C ATOM 384 CD ARG A 89 -4.421 0.837 12.663 1.00 0.00 C ATOM 385 NE ARG A 89 -3.618 0.313 13.764 1.00 0.00 N ATOM 386 CZ ARG A 89 -4.129 -0.276 14.843 1.00 0.00 C ATOM 387 NH1 ARG A 89 -5.442 -0.410 14.980 1.00 0.00 N ATOM 388 NH2 ARG A 89 -3.321 -0.730 15.793 1.00 0.00 N ATOM 0 H ARG A 89 -5.141 2.725 8.259 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.514 2.690 9.471 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.393 2.837 10.912 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.224 1.524 10.103 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.596 -0.086 10.916 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.603 1.193 11.588 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.783 1.833 12.919 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.298 0.206 12.521 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.604 0.404 13.703 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.069 -0.060 14.255 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.825 -0.863 15.810 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.311 -0.627 15.695 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.710 -1.182 16.621 1.00 0.00 H new ATOM 402 N ILE A 90 -1.617 0.738 8.267 1.00 0.00 N ATOM 403 CA ILE A 90 -1.009 -0.440 7.672 1.00 0.00 C ATOM 404 C ILE A 90 -1.131 -1.662 8.566 1.00 0.00 C ATOM 405 O ILE A 90 -0.501 -1.754 9.619 1.00 0.00 O ATOM 406 CB ILE A 90 0.476 -0.195 7.331 1.00 0.00 C ATOM 407 CG1 ILE A 90 0.625 1.096 6.527 1.00 0.00 C ATOM 408 CG2 ILE A 90 1.052 -1.366 6.553 1.00 0.00 C ATOM 409 CD1 ILE A 90 0.018 1.027 5.141 1.00 0.00 C ATOM 0 H ILE A 90 -0.974 1.519 8.399 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.558 -0.636 6.751 1.00 0.00 H new ATOM 0 HB ILE A 90 1.031 -0.098 8.264 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.157 1.912 7.078 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.684 1.337 6.438 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.100 -1.171 6.324 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.975 -2.274 7.151 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.496 -1.495 5.625 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.163 1.980 4.632 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.502 0.234 4.571 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.049 0.818 5.221 1.00 0.00 H new ATOM 421 N LEU A 91 -1.934 -2.610 8.107 1.00 0.00 N ATOM 422 CA LEU A 91 -2.149 -3.858 8.815 1.00 0.00 C ATOM 423 C LEU A 91 -0.976 -4.779 8.543 1.00 0.00 C ATOM 424 O LEU A 91 -0.391 -5.364 9.456 1.00 0.00 O ATOM 425 CB LEU A 91 -3.446 -4.495 8.330 1.00 0.00 C ATOM 426 CG LEU A 91 -4.630 -3.528 8.260 1.00 0.00 C ATOM 427 CD1 LEU A 91 -5.871 -4.206 7.706 1.00 0.00 C ATOM 428 CD2 LEU A 91 -4.910 -2.926 9.629 1.00 0.00 C ATOM 0 H LEU A 91 -2.454 -2.534 7.233 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.226 -3.678 9.887 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.281 -4.922 7.341 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.703 -5.320 8.994 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.362 -2.723 7.575 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.692 -3.490 7.671 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.667 -4.574 6.700 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.147 -5.042 8.349 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.755 -2.241 9.559 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.145 -3.722 10.335 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.030 -2.383 9.974 1.00 0.00 H new ATOM 440 N GLU A 92 -0.625 -4.867 7.271 1.00 0.00 N ATOM 441 CA GLU A 92 0.495 -5.674 6.833 1.00 0.00 C ATOM 442 C GLU A 92 1.245 -4.955 5.725 1.00 0.00 C ATOM 443 O GLU A 92 0.639 -4.362 4.836 1.00 0.00 O ATOM 444 CB GLU A 92 0.031 -7.048 6.366 1.00 0.00 C ATOM 445 CG GLU A 92 0.627 -8.170 7.191 1.00 0.00 C ATOM 446 CD GLU A 92 -0.418 -8.954 7.961 1.00 0.00 C ATOM 447 OE1 GLU A 92 -1.468 -9.282 7.371 1.00 0.00 O ATOM 448 OE2 GLU A 92 -0.186 -9.239 9.155 1.00 0.00 O ATOM 0 H GLU A 92 -1.109 -4.381 6.516 1.00 0.00 H new ATOM 0 HA GLU A 92 1.168 -5.822 7.678 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.056 -7.099 6.420 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.305 -7.185 5.320 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.172 -8.848 6.534 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.351 -7.754 7.891 1.00 0.00 H new ATOM 455 N GLN A 93 2.566 -4.984 5.797 1.00 0.00 N ATOM 456 CA GLN A 93 3.389 -4.308 4.808 1.00 0.00 C ATOM 457 C GLN A 93 4.382 -5.262 4.169 1.00 0.00 C ATOM 458 O GLN A 93 5.508 -4.886 3.845 1.00 0.00 O ATOM 459 CB GLN A 93 4.113 -3.135 5.452 1.00 0.00 C ATOM 460 CG GLN A 93 4.469 -3.399 6.885 1.00 0.00 C ATOM 461 CD GLN A 93 4.985 -2.170 7.608 1.00 0.00 C ATOM 462 OE1 GLN A 93 4.237 -1.227 7.863 1.00 0.00 O ATOM 463 NE2 GLN A 93 6.270 -2.177 7.942 1.00 0.00 N ATOM 0 H GLN A 93 3.090 -5.467 6.527 1.00 0.00 H new ATOM 0 HA GLN A 93 2.737 -3.935 4.018 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.021 -2.919 4.889 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.483 -2.247 5.395 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.590 -3.778 7.407 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.226 -4.182 6.926 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.853 -2.981 7.710 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.674 -1.378 8.431 1.00 0.00 H new ATOM 472 N SER A 94 3.946 -6.498 3.975 1.00 0.00 N ATOM 473 CA SER A 94 4.784 -7.512 3.357 1.00 0.00 C ATOM 474 C SER A 94 4.478 -7.600 1.867 1.00 0.00 C ATOM 475 O SER A 94 3.337 -7.834 1.470 1.00 0.00 O ATOM 476 CB SER A 94 4.562 -8.871 4.022 1.00 0.00 C ATOM 477 OG SER A 94 3.483 -8.823 4.941 1.00 0.00 O ATOM 0 H SER A 94 3.015 -6.822 4.237 1.00 0.00 H new ATOM 0 HA SER A 94 5.828 -7.230 3.490 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.360 -9.623 3.259 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.471 -9.178 4.540 1.00 0.00 H new ATOM 0 HG SER A 94 3.362 -9.705 5.350 1.00 0.00 H new ATOM 483 N GLY A 95 5.501 -7.399 1.047 1.00 0.00 N ATOM 484 CA GLY A 95 5.312 -7.448 -0.390 1.00 0.00 C ATOM 485 C GLY A 95 4.991 -6.099 -0.981 1.00 0.00 C ATOM 486 O GLY A 95 4.539 -5.190 -0.285 1.00 0.00 O ATOM 0 H GLY A 95 6.455 -7.204 1.349 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.215 -7.839 -0.858 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.505 -8.143 -0.623 1.00 0.00 H new ATOM 490 N GLU A 96 5.223 -5.980 -2.280 1.00 0.00 N ATOM 491 CA GLU A 96 4.963 -4.749 -3.007 1.00 0.00 C ATOM 492 C GLU A 96 3.566 -4.196 -2.695 1.00 0.00 C ATOM 493 O GLU A 96 3.305 -3.011 -2.891 1.00 0.00 O ATOM 494 CB GLU A 96 5.123 -5.009 -4.503 1.00 0.00 C ATOM 495 CG GLU A 96 4.153 -4.230 -5.341 1.00 0.00 C ATOM 496 CD GLU A 96 4.411 -4.361 -6.829 1.00 0.00 C ATOM 497 OE1 GLU A 96 4.655 -5.496 -7.291 1.00 0.00 O ATOM 498 OE2 GLU A 96 4.367 -3.331 -7.532 1.00 0.00 O ATOM 0 H GLU A 96 5.596 -6.733 -2.858 1.00 0.00 H new ATOM 0 HA GLU A 96 5.683 -3.994 -2.690 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.140 -4.755 -4.803 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.989 -6.073 -4.697 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.140 -4.569 -5.123 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.204 -3.178 -5.061 1.00 0.00 H new ATOM 505 N TRP A 97 2.672 -5.055 -2.216 1.00 0.00 N ATOM 506 CA TRP A 97 1.317 -4.634 -1.884 1.00 0.00 C ATOM 507 C TRP A 97 1.082 -4.707 -0.377 1.00 0.00 C ATOM 508 O TRP A 97 1.067 -5.791 0.206 1.00 0.00 O ATOM 509 CB TRP A 97 0.306 -5.500 -2.630 1.00 0.00 C ATOM 510 CG TRP A 97 0.156 -5.104 -4.067 1.00 0.00 C ATOM 511 CD1 TRP A 97 0.902 -5.545 -5.122 1.00 0.00 C ATOM 512 CD2 TRP A 97 -0.788 -4.172 -4.603 1.00 0.00 C ATOM 513 NE1 TRP A 97 0.482 -4.938 -6.281 1.00 0.00 N ATOM 514 CE2 TRP A 97 -0.555 -4.091 -5.989 1.00 0.00 C ATOM 515 CE3 TRP A 97 -1.806 -3.398 -4.045 1.00 0.00 C ATOM 516 CZ2 TRP A 97 -1.303 -3.264 -6.821 1.00 0.00 C ATOM 517 CZ3 TRP A 97 -2.548 -2.578 -4.871 1.00 0.00 C ATOM 518 CH2 TRP A 97 -2.293 -2.515 -6.246 1.00 0.00 C ATOM 0 H TRP A 97 2.861 -6.043 -2.050 1.00 0.00 H new ATOM 0 HA TRP A 97 1.187 -3.597 -2.194 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.617 -6.543 -2.575 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.662 -5.429 -2.135 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.704 -6.265 -5.055 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.878 -5.093 -7.208 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -2.010 -3.440 -2.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.109 -3.215 -7.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -3.339 -1.975 -4.449 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -2.890 -1.862 -6.865 1.00 0.00 H new ATOM 529 N TRP A 98 0.915 -3.544 0.249 1.00 0.00 N ATOM 530 CA TRP A 98 0.700 -3.474 1.692 1.00 0.00 C ATOM 531 C TRP A 98 -0.779 -3.431 2.051 1.00 0.00 C ATOM 532 O TRP A 98 -1.570 -2.736 1.412 1.00 0.00 O ATOM 533 CB TRP A 98 1.385 -2.239 2.275 1.00 0.00 C ATOM 534 CG TRP A 98 2.878 -2.333 2.294 1.00 0.00 C ATOM 535 CD1 TRP A 98 3.645 -3.338 1.788 1.00 0.00 C ATOM 536 CD2 TRP A 98 3.779 -1.383 2.857 1.00 0.00 C ATOM 537 NE1 TRP A 98 4.975 -3.072 2.008 1.00 0.00 N ATOM 538 CE2 TRP A 98 5.082 -1.870 2.661 1.00 0.00 C ATOM 539 CE3 TRP A 98 3.604 -0.165 3.510 1.00 0.00 C ATOM 540 CZ2 TRP A 98 6.209 -1.176 3.095 1.00 0.00 C ATOM 541 CZ3 TRP A 98 4.719 0.528 3.941 1.00 0.00 C ATOM 542 CH2 TRP A 98 6.008 0.021 3.731 1.00 0.00 C ATOM 0 H TRP A 98 0.924 -2.638 -0.220 1.00 0.00 H new ATOM 0 HA TRP A 98 1.132 -4.380 2.118 1.00 0.00 H new ATOM 0 HB2 TRP A 98 1.092 -1.364 1.695 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.027 -2.082 3.292 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.264 -4.216 1.287 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.754 -3.669 1.732 1.00 0.00 H new ATOM 0 HE3 TRP A 98 2.613 0.231 3.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 7.203 -1.566 2.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 4.595 1.474 4.447 1.00 0.00 H new ATOM 0 HH2 TRP A 98 6.861 0.585 4.078 1.00 0.00 H new ATOM 553 N LYS A 99 -1.132 -4.152 3.107 1.00 0.00 N ATOM 554 CA LYS A 99 -2.499 -4.180 3.598 1.00 0.00 C ATOM 555 C LYS A 99 -2.708 -3.012 4.551 1.00 0.00 C ATOM 556 O LYS A 99 -2.083 -2.954 5.608 1.00 0.00 O ATOM 557 CB LYS A 99 -2.780 -5.499 4.324 1.00 0.00 C ATOM 558 CG LYS A 99 -4.144 -5.558 4.995 1.00 0.00 C ATOM 559 CD LYS A 99 -5.196 -4.857 4.170 1.00 0.00 C ATOM 560 CE LYS A 99 -6.596 -5.294 4.562 1.00 0.00 C ATOM 561 NZ LYS A 99 -7.303 -5.975 3.443 1.00 0.00 N ATOM 0 H LYS A 99 -0.483 -4.729 3.642 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.185 -4.098 2.755 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.702 -6.319 3.610 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.009 -5.659 5.077 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.432 -6.598 5.146 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.086 -5.097 5.981 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.101 -3.779 4.299 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.031 -5.068 3.113 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.539 -5.967 5.418 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.172 -4.424 4.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.263 -5.586 3.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.781 -5.820 2.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.360 -6.995 3.638 1.00 0.00 H new ATOM 575 N ALA A 100 -3.571 -2.077 4.177 1.00 0.00 N ATOM 576 CA ALA A 100 -3.824 -0.918 5.019 1.00 0.00 C ATOM 577 C ALA A 100 -5.279 -0.823 5.422 1.00 0.00 C ATOM 578 O ALA A 100 -6.176 -1.094 4.625 1.00 0.00 O ATOM 579 CB ALA A 100 -3.408 0.363 4.309 1.00 0.00 C ATOM 0 H ALA A 100 -4.102 -2.098 3.306 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.227 -1.043 5.922 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.605 1.218 4.956 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.344 0.321 4.077 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -3.977 0.468 3.385 1.00 0.00 H new ATOM 585 N GLN A 101 -5.506 -0.393 6.652 1.00 0.00 N ATOM 586 CA GLN A 101 -6.851 -0.210 7.145 1.00 0.00 C ATOM 587 C GLN A 101 -7.117 1.275 7.248 1.00 0.00 C ATOM 588 O GLN A 101 -6.539 1.964 8.086 1.00 0.00 O ATOM 589 CB GLN A 101 -7.052 -0.883 8.501 1.00 0.00 C ATOM 590 CG GLN A 101 -8.379 -0.546 9.141 1.00 0.00 C ATOM 591 CD GLN A 101 -8.427 -0.888 10.617 1.00 0.00 C ATOM 592 OE1 GLN A 101 -8.897 -1.958 11.004 1.00 0.00 O ATOM 593 NE2 GLN A 101 -7.938 0.024 11.449 1.00 0.00 N ATOM 0 H GLN A 101 -4.773 -0.165 7.324 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.553 -0.676 6.454 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -6.979 -1.964 8.378 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.246 -0.584 9.171 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -8.578 0.518 9.013 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.173 -1.083 8.623 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -7.558 0.897 11.083 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -7.942 -0.148 12.454 1.00 0.00 H new ATOM 602 N SER A 102 -7.986 1.765 6.387 1.00 0.00 N ATOM 603 CA SER A 102 -8.322 3.168 6.370 1.00 0.00 C ATOM 604 C SER A 102 -8.656 3.644 7.776 1.00 0.00 C ATOM 605 O SER A 102 -8.812 2.837 8.691 1.00 0.00 O ATOM 606 CB SER A 102 -9.487 3.386 5.419 1.00 0.00 C ATOM 607 OG SER A 102 -9.078 4.090 4.259 1.00 0.00 O ATOM 0 H SER A 102 -8.473 1.205 5.687 1.00 0.00 H new ATOM 0 HA SER A 102 -7.471 3.751 6.020 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.911 2.423 5.133 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.275 3.943 5.927 1.00 0.00 H new ATOM 0 HG SER A 102 -9.847 4.215 3.664 1.00 0.00 H new ATOM 613 N LEU A 103 -8.735 4.948 7.956 1.00 0.00 N ATOM 614 CA LEU A 103 -9.028 5.498 9.273 1.00 0.00 C ATOM 615 C LEU A 103 -10.218 6.442 9.244 1.00 0.00 C ATOM 616 O LEU A 103 -10.892 6.634 10.257 1.00 0.00 O ATOM 617 CB LEU A 103 -7.791 6.183 9.822 1.00 0.00 C ATOM 618 CG LEU A 103 -6.712 5.200 10.275 1.00 0.00 C ATOM 619 CD1 LEU A 103 -5.670 5.039 9.189 1.00 0.00 C ATOM 620 CD2 LEU A 103 -6.068 5.630 11.583 1.00 0.00 C ATOM 0 H LEU A 103 -8.603 5.642 7.220 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.303 4.677 9.935 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.377 6.840 9.057 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.076 6.814 10.664 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.189 4.237 10.455 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.905 4.337 9.520 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.144 4.659 8.284 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.210 6.005 8.980 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.307 4.904 11.870 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.606 6.609 11.457 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.828 5.685 12.362 1.00 0.00 H new ATOM 632 N THR A 104 -10.496 7.001 8.081 1.00 0.00 N ATOM 633 CA THR A 104 -11.627 7.889 7.921 1.00 0.00 C ATOM 634 C THR A 104 -12.880 7.056 7.701 1.00 0.00 C ATOM 635 O THR A 104 -13.951 7.342 8.233 1.00 0.00 O ATOM 636 CB THR A 104 -11.391 8.809 6.732 1.00 0.00 C ATOM 637 OG1 THR A 104 -10.027 9.180 6.644 1.00 0.00 O ATOM 638 CG2 THR A 104 -12.204 10.065 6.810 1.00 0.00 C ATOM 0 H THR A 104 -9.951 6.854 7.232 1.00 0.00 H new ATOM 0 HA THR A 104 -11.751 8.500 8.815 1.00 0.00 H new ATOM 0 HB THR A 104 -11.694 8.243 5.851 1.00 0.00 H new ATOM 0 HG1 THR A 104 -9.688 8.971 5.748 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.999 10.686 5.938 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.264 9.812 6.833 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.942 10.612 7.715 1.00 0.00 H new ATOM 646 N THR A 105 -12.700 6.011 6.913 1.00 0.00 N ATOM 647 CA THR A 105 -13.752 5.068 6.576 1.00 0.00 C ATOM 648 C THR A 105 -13.475 3.738 7.262 1.00 0.00 C ATOM 649 O THR A 105 -14.377 3.022 7.697 1.00 0.00 O ATOM 650 CB THR A 105 -13.757 4.862 5.070 1.00 0.00 C ATOM 651 OG1 THR A 105 -12.932 3.769 4.704 1.00 0.00 O ATOM 652 CG2 THR A 105 -13.275 6.068 4.296 1.00 0.00 C ATOM 0 H THR A 105 -11.803 5.790 6.482 1.00 0.00 H new ATOM 0 HA THR A 105 -14.717 5.453 6.905 1.00 0.00 H new ATOM 0 HB THR A 105 -14.800 4.675 4.815 1.00 0.00 H new ATOM 0 HG1 THR A 105 -12.440 3.990 3.886 1.00 0.00 H new ATOM 0 HG21 THR A 105 -13.305 5.851 3.228 1.00 0.00 H new ATOM 0 HG22 THR A 105 -13.920 6.920 4.511 1.00 0.00 H new ATOM 0 HG23 THR A 105 -12.252 6.304 4.590 1.00 0.00 H new ATOM 660 N GLY A 106 -12.192 3.444 7.329 1.00 0.00 N ATOM 661 CA GLY A 106 -11.687 2.240 7.926 1.00 0.00 C ATOM 662 C GLY A 106 -11.738 1.048 7.001 1.00 0.00 C ATOM 663 O GLY A 106 -11.312 -0.046 7.370 1.00 0.00 O ATOM 0 H GLY A 106 -11.462 4.053 6.960 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -10.656 2.403 8.240 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.263 2.019 8.824 1.00 0.00 H new ATOM 667 N GLN A 107 -12.239 1.252 5.788 1.00 0.00 N ATOM 668 CA GLN A 107 -12.317 0.190 4.818 1.00 0.00 C ATOM 669 C GLN A 107 -10.980 -0.511 4.671 1.00 0.00 C ATOM 670 O GLN A 107 -9.958 0.116 4.389 1.00 0.00 O ATOM 671 CB GLN A 107 -12.786 0.756 3.501 1.00 0.00 C ATOM 672 CG GLN A 107 -14.291 0.825 3.432 1.00 0.00 C ATOM 673 CD GLN A 107 -14.833 2.222 3.658 1.00 0.00 C ATOM 674 OE1 GLN A 107 -15.503 2.485 4.656 1.00 0.00 O ATOM 675 NE2 GLN A 107 -14.544 3.126 2.730 1.00 0.00 N ATOM 0 H GLN A 107 -12.596 2.150 5.461 1.00 0.00 H new ATOM 0 HA GLN A 107 -13.034 -0.557 5.159 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.369 1.753 3.363 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.411 0.138 2.685 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.621 0.467 2.457 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.714 0.152 4.178 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -13.985 2.863 1.918 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -14.881 4.084 2.828 1.00 0.00 H new ATOM 684 N GLU A 108 -10.995 -1.813 4.890 1.00 0.00 N ATOM 685 CA GLU A 108 -9.781 -2.612 4.811 1.00 0.00 C ATOM 686 C GLU A 108 -9.550 -3.145 3.402 1.00 0.00 C ATOM 687 O GLU A 108 -10.496 -3.488 2.692 1.00 0.00 O ATOM 688 CB GLU A 108 -9.844 -3.768 5.807 1.00 0.00 C ATOM 689 CG GLU A 108 -10.041 -3.319 7.242 1.00 0.00 C ATOM 690 CD GLU A 108 -11.194 -4.028 7.926 1.00 0.00 C ATOM 691 OE1 GLU A 108 -11.585 -5.117 7.456 1.00 0.00 O ATOM 692 OE2 GLU A 108 -11.706 -3.493 8.931 1.00 0.00 O ATOM 0 H GLU A 108 -11.835 -2.342 5.124 1.00 0.00 H new ATOM 0 HA GLU A 108 -8.941 -1.965 5.064 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.660 -4.434 5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.923 -4.347 5.739 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.125 -3.500 7.804 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.219 -2.244 7.260 1.00 0.00 H new ATOM 699 N GLY A 109 -8.282 -3.211 3.010 1.00 0.00 N ATOM 700 CA GLY A 109 -7.934 -3.702 1.692 1.00 0.00 C ATOM 701 C GLY A 109 -6.451 -3.569 1.405 1.00 0.00 C ATOM 702 O GLY A 109 -5.696 -3.050 2.227 1.00 0.00 O ATOM 0 H GLY A 109 -7.487 -2.932 3.585 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.226 -4.749 1.607 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.499 -3.151 0.940 1.00 0.00 H new ATOM 706 N PHE A 110 -6.037 -4.039 0.237 1.00 0.00 N ATOM 707 CA PHE A 110 -4.644 -3.979 -0.165 1.00 0.00 C ATOM 708 C PHE A 110 -4.330 -2.639 -0.821 1.00 0.00 C ATOM 709 O PHE A 110 -5.208 -2.005 -1.403 1.00 0.00 O ATOM 710 CB PHE A 110 -4.345 -5.124 -1.128 1.00 0.00 C ATOM 711 CG PHE A 110 -3.744 -6.328 -0.460 1.00 0.00 C ATOM 712 CD1 PHE A 110 -4.280 -6.817 0.722 1.00 0.00 C ATOM 713 CD2 PHE A 110 -2.648 -6.968 -1.011 1.00 0.00 C ATOM 714 CE1 PHE A 110 -3.731 -7.925 1.340 1.00 0.00 C ATOM 715 CE2 PHE A 110 -2.095 -8.075 -0.397 1.00 0.00 C ATOM 716 CZ PHE A 110 -2.636 -8.554 0.780 1.00 0.00 C ATOM 0 H PHE A 110 -6.654 -4.469 -0.452 1.00 0.00 H new ATOM 0 HA PHE A 110 -4.015 -4.077 0.720 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.268 -5.418 -1.627 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.663 -4.769 -1.901 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -5.135 -6.327 1.164 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -2.220 -6.598 -1.931 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.158 -8.298 2.259 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.240 -8.566 -0.837 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.204 -9.419 1.262 1.00 0.00 H new ATOM 726 N ILE A 111 -3.080 -2.205 -0.720 1.00 0.00 N ATOM 727 CA ILE A 111 -2.683 -0.930 -1.301 1.00 0.00 C ATOM 728 C ILE A 111 -1.232 -0.944 -1.780 1.00 0.00 C ATOM 729 O ILE A 111 -0.356 -1.533 -1.147 1.00 0.00 O ATOM 730 CB ILE A 111 -2.862 0.222 -0.290 1.00 0.00 C ATOM 731 CG1 ILE A 111 -1.915 0.030 0.895 1.00 0.00 C ATOM 732 CG2 ILE A 111 -4.308 0.299 0.178 1.00 0.00 C ATOM 733 CD1 ILE A 111 -1.454 1.323 1.529 1.00 0.00 C ATOM 0 H ILE A 111 -2.331 -2.711 -0.247 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.334 -0.770 -2.160 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.616 1.164 -0.780 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.414 -0.576 1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.042 -0.531 0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.417 1.117 0.891 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.959 0.475 -0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.586 -0.640 0.658 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.786 1.102 2.361 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.925 1.923 0.789 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.318 1.877 1.895 1.00 0.00 H new ATOM 745 N PRO A 112 -0.970 -0.271 -2.906 1.00 0.00 N ATOM 746 CA PRO A 112 0.365 -0.168 -3.481 1.00 0.00 C ATOM 747 C PRO A 112 1.379 0.331 -2.450 1.00 0.00 C ATOM 748 O PRO A 112 1.307 1.474 -2.002 1.00 0.00 O ATOM 749 CB PRO A 112 0.204 0.853 -4.622 1.00 0.00 C ATOM 750 CG PRO A 112 -1.157 1.445 -4.455 1.00 0.00 C ATOM 751 CD PRO A 112 -1.965 0.450 -3.689 1.00 0.00 C ATOM 0 HA PRO A 112 0.740 -1.132 -3.825 1.00 0.00 H new ATOM 0 HB2 PRO A 112 0.974 1.623 -4.568 1.00 0.00 H new ATOM 0 HB3 PRO A 112 0.303 0.370 -5.594 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.104 2.394 -3.921 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.612 1.650 -5.424 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -2.701 0.938 -3.050 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.513 -0.218 -4.354 1.00 0.00 H new ATOM 759 N PHE A 113 2.308 -0.538 -2.063 1.00 0.00 N ATOM 760 CA PHE A 113 3.319 -0.187 -1.067 1.00 0.00 C ATOM 761 C PHE A 113 4.066 1.096 -1.442 1.00 0.00 C ATOM 762 O PHE A 113 4.622 1.772 -0.576 1.00 0.00 O ATOM 763 CB PHE A 113 4.307 -1.346 -0.875 1.00 0.00 C ATOM 764 CG PHE A 113 5.440 -1.367 -1.869 1.00 0.00 C ATOM 765 CD1 PHE A 113 5.201 -1.173 -3.220 1.00 0.00 C ATOM 766 CD2 PHE A 113 6.742 -1.576 -1.446 1.00 0.00 C ATOM 767 CE1 PHE A 113 6.240 -1.188 -4.131 1.00 0.00 C ATOM 768 CE2 PHE A 113 7.786 -1.591 -2.353 1.00 0.00 C ATOM 769 CZ PHE A 113 7.534 -1.398 -3.696 1.00 0.00 C ATOM 0 H PHE A 113 2.383 -1.490 -2.423 1.00 0.00 H new ATOM 0 HA PHE A 113 2.802 -0.002 -0.125 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.723 -1.290 0.131 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.762 -2.288 -0.943 1.00 0.00 H new ATOM 0 HD1 PHE A 113 4.191 -1.008 -3.565 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.944 -1.729 -0.396 1.00 0.00 H new ATOM 0 HE1 PHE A 113 6.041 -1.036 -5.181 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.797 -1.754 -2.011 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.348 -1.411 -4.406 1.00 0.00 H new ATOM 779 N ASN A 114 4.081 1.425 -2.730 1.00 0.00 N ATOM 780 CA ASN A 114 4.766 2.624 -3.201 1.00 0.00 C ATOM 781 C ASN A 114 3.778 3.762 -3.437 1.00 0.00 C ATOM 782 O ASN A 114 3.980 4.599 -4.317 1.00 0.00 O ATOM 783 CB ASN A 114 5.529 2.322 -4.491 1.00 0.00 C ATOM 784 CG ASN A 114 4.688 1.566 -5.502 1.00 0.00 C ATOM 785 OD1 ASN A 114 4.072 0.551 -5.177 1.00 0.00 O ATOM 786 ND2 ASN A 114 4.659 2.059 -6.734 1.00 0.00 N ATOM 0 H ASN A 114 3.628 0.880 -3.464 1.00 0.00 H new ATOM 0 HA ASN A 114 5.471 2.936 -2.430 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.870 3.257 -4.935 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.419 1.738 -4.255 1.00 0.00 H new ATOM 0 HD21 ASN A 114 4.110 1.594 -7.457 1.00 0.00 H new ATOM 0 HD22 ASN A 114 5.186 2.903 -6.958 1.00 0.00 H new ATOM 793 N PHE A 115 2.705 3.782 -2.653 1.00 0.00 N ATOM 794 CA PHE A 115 1.681 4.812 -2.786 1.00 0.00 C ATOM 795 C PHE A 115 1.527 5.632 -1.508 1.00 0.00 C ATOM 796 O PHE A 115 1.014 6.750 -1.541 1.00 0.00 O ATOM 797 CB PHE A 115 0.337 4.170 -3.124 1.00 0.00 C ATOM 798 CG PHE A 115 -0.290 4.701 -4.376 1.00 0.00 C ATOM 799 CD1 PHE A 115 0.447 4.833 -5.541 1.00 0.00 C ATOM 800 CD2 PHE A 115 -1.621 5.068 -4.386 1.00 0.00 C ATOM 801 CE1 PHE A 115 -0.137 5.323 -6.693 1.00 0.00 C ATOM 802 CE2 PHE A 115 -2.212 5.558 -5.529 1.00 0.00 C ATOM 803 CZ PHE A 115 -1.470 5.686 -6.687 1.00 0.00 C ATOM 0 H PHE A 115 2.522 3.097 -1.919 1.00 0.00 H new ATOM 0 HA PHE A 115 1.997 5.480 -3.587 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.475 3.094 -3.226 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.349 4.326 -2.291 1.00 0.00 H new ATOM 0 HD1 PHE A 115 1.489 4.550 -5.549 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.207 4.969 -3.484 1.00 0.00 H new ATOM 0 HE1 PHE A 115 0.447 5.422 -7.596 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.254 5.842 -5.520 1.00 0.00 H new ATOM 0 HZ PHE A 115 -1.931 6.069 -7.586 1.00 0.00 H new ATOM 813 N VAL A 116 1.933 5.062 -0.378 1.00 0.00 N ATOM 814 CA VAL A 116 1.786 5.746 0.901 1.00 0.00 C ATOM 815 C VAL A 116 3.116 6.077 1.564 1.00 0.00 C ATOM 816 O VAL A 116 4.114 5.375 1.393 1.00 0.00 O ATOM 817 CB VAL A 116 0.943 4.908 1.879 1.00 0.00 C ATOM 818 CG1 VAL A 116 -0.496 4.836 1.402 1.00 0.00 C ATOM 819 CG2 VAL A 116 1.535 3.513 2.052 1.00 0.00 C ATOM 0 H VAL A 116 2.362 4.138 -0.322 1.00 0.00 H new ATOM 0 HA VAL A 116 1.283 6.685 0.673 1.00 0.00 H new ATOM 0 HB VAL A 116 0.957 5.395 2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.082 4.241 2.102 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -0.911 5.842 1.345 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -0.530 4.373 0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.921 2.941 2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.559 3.006 1.088 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.549 3.594 2.445 1.00 0.00 H new ATOM 829 N ALA A 117 3.097 7.152 2.346 1.00 0.00 N ATOM 830 CA ALA A 117 4.263 7.612 3.084 1.00 0.00 C ATOM 831 C ALA A 117 3.839 8.039 4.486 1.00 0.00 C ATOM 832 O ALA A 117 2.778 8.637 4.658 1.00 0.00 O ATOM 833 CB ALA A 117 4.939 8.763 2.352 1.00 0.00 C ATOM 0 H ALA A 117 2.268 7.729 2.485 1.00 0.00 H new ATOM 0 HA ALA A 117 4.983 6.797 3.162 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.809 9.094 2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.255 8.430 1.364 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.237 9.591 2.249 1.00 0.00 H new ATOM 839 N LYS A 118 4.655 7.716 5.485 1.00 0.00 N ATOM 840 CA LYS A 118 4.343 8.053 6.876 1.00 0.00 C ATOM 841 C LYS A 118 3.716 9.438 7.000 1.00 0.00 C ATOM 842 O LYS A 118 4.118 10.376 6.312 1.00 0.00 O ATOM 843 CB LYS A 118 5.612 7.978 7.735 1.00 0.00 C ATOM 844 CG LYS A 118 5.610 6.833 8.739 1.00 0.00 C ATOM 845 CD LYS A 118 5.022 5.567 8.139 1.00 0.00 C ATOM 846 CE LYS A 118 5.618 4.318 8.769 1.00 0.00 C ATOM 847 NZ LYS A 118 4.868 3.900 9.987 1.00 0.00 N ATOM 0 H LYS A 118 5.538 7.221 5.360 1.00 0.00 H new ATOM 0 HA LYS A 118 3.615 7.325 7.233 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.477 7.872 7.080 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.732 8.919 8.272 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.629 6.639 9.073 1.00 0.00 H new ATOM 0 HG3 LYS A 118 5.035 7.121 9.619 1.00 0.00 H new ATOM 0 HD2 LYS A 118 3.941 5.565 8.280 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.204 5.555 7.064 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.612 3.506 8.042 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.660 4.504 9.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 5.305 3.045 10.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 4.895 4.665 10.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 3.880 3.698 9.734 1.00 0.00 H new ATOM 861 N ALA A 119 2.728 9.556 7.886 1.00 0.00 N ATOM 862 CA ALA A 119 2.040 10.829 8.110 1.00 0.00 C ATOM 863 C ALA A 119 2.954 11.828 8.816 1.00 0.00 C ATOM 864 O ALA A 119 2.581 12.415 9.832 1.00 0.00 O ATOM 865 CB ALA A 119 0.761 10.627 8.920 1.00 0.00 C ATOM 0 H ALA A 119 2.385 8.786 8.461 1.00 0.00 H new ATOM 0 HA ALA A 119 1.771 11.233 7.134 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.271 11.589 9.071 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.090 9.959 8.380 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.008 10.190 9.887 1.00 0.00 H new ATOM 871 N ASN A 120 4.151 12.016 8.274 1.00 0.00 N ATOM 872 CA ASN A 120 5.116 12.943 8.852 1.00 0.00 C ATOM 873 C ASN A 120 5.598 13.948 7.811 1.00 0.00 C ATOM 874 O ASN A 120 5.561 13.616 6.607 1.00 0.00 O ATOM 875 CB ASN A 120 6.308 12.177 9.429 1.00 0.00 C ATOM 876 CG ASN A 120 6.958 12.908 10.587 1.00 0.00 C ATOM 877 OD1 ASN A 120 7.260 12.176 11.653 1.00 0.00 O flip ATOM 878 ND2 ASN A 120 7.187 14.116 10.525 1.00 0.00 N flip ATOM 879 OXT ASN A 120 6.009 15.059 8.207 1.00 0.00 O ATOM 0 H ASN A 120 4.477 11.538 7.434 1.00 0.00 H new ATOM 0 HA ASN A 120 4.621 13.489 9.655 1.00 0.00 H new ATOM 0 HB2 ASN A 120 5.977 11.194 9.763 1.00 0.00 H new ATOM 0 HB3 ASN A 120 7.047 12.015 8.644 1.00 0.00 H new ATOM 0 HD21 ASN A 120 6.938 14.640 9.686 1.00 0.00 H new ATOM 0 HD22 ASN A 120 7.626 14.593 11.313 1.00 0.00 H new