USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 640 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 78 ASN : amide:sc= 0.493 K(o=1.7,f=-12!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -177:sc= 1.21 (180deg=0) USER MOD Set 2.1: A 4 LYS NZ :NH3+ -163:sc= 1.06 (180deg=-0.503) USER MOD Set 2.2: A 10 TYR OH : rot 30:sc= 1.01 USER MOD Set 3.1: A 5 HIS :FLIP no HD1:sc= -1.39 F(o=-2.1!,f=-1.4) USER MOD Set 3.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 166:sc= -0.506 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 76:sc= 0.538 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 35 LYS NZ :NH3+ -164:sc= -0.0438 (180deg=-0.296) USER MOD Single : A 44 THR OG1 : rot 135:sc= -0.846! USER MOD Single : A 46 HIS : no HD1:sc= -2.91! C(o=-2.9!,f=-8.3!) USER MOD Single : A 50 SER OG : rot 150:sc= 0.0247 USER MOD Single : A 54 TYR OH : rot 33:sc= 1.2 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -170:sc= 0.389 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 1.28 (180deg=1.28) USER MOD Single : A 72 LYS NZ :NH3+ -161:sc= 1.25 (180deg=0.588) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0252 USER MOD Single : A 84 LYS NZ :NH3+ -172:sc= 1.27 (180deg=1.17) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.573 F(o=-1.8!,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 4 7.970 10.989 -5.214 1.00 0.00 N ATOM 36 CA LYS A 4 7.054 11.648 -4.338 1.00 0.00 C ATOM 37 C LYS A 4 7.756 12.609 -3.398 1.00 0.00 C ATOM 38 O LYS A 4 8.976 12.763 -3.417 1.00 0.00 O ATOM 39 CB LYS A 4 6.421 10.603 -3.453 1.00 0.00 C ATOM 40 CG LYS A 4 7.474 9.905 -2.615 1.00 0.00 C ATOM 41 CD LYS A 4 6.875 8.967 -1.671 1.00 0.00 C ATOM 42 CE LYS A 4 7.921 8.072 -1.059 1.00 0.00 C ATOM 43 NZ LYS A 4 8.569 7.174 -2.053 1.00 0.00 N ATOM 0 HA LYS A 4 6.340 12.191 -4.957 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.681 11.069 -2.803 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.892 9.872 -4.065 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.166 9.373 -3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.057 10.647 -2.070 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.358 9.517 -0.885 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.126 8.361 -2.181 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.684 8.687 -0.581 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.462 7.468 -0.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.054 6.400 -1.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.846 6.779 -2.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.260 7.715 -2.611 1.00 0.00 H new ATOM 57 N HIS A 5 6.949 13.224 -2.582 1.00 0.00 N ATOM 58 CA HIS A 5 7.384 13.975 -1.432 1.00 0.00 C ATOM 59 C HIS A 5 6.674 13.388 -0.199 1.00 0.00 C ATOM 60 O HIS A 5 7.055 13.643 0.942 1.00 0.00 O ATOM 61 CB HIS A 5 7.079 15.487 -1.596 1.00 0.00 C ATOM 62 CG HIS A 5 5.640 15.796 -1.895 1.00 0.00 C ATOM 63 ND1 HIS A 5 4.614 16.096 -1.064 1.00 0.00 N flip ATOM 64 CD2 HIS A 5 5.104 15.751 -3.156 1.00 0.00 C flip ATOM 65 CE1 HIS A 5 3.448 16.222 -1.811 1.00 0.00 C flip ATOM 66 NE2 HIS A 5 3.807 15.999 -3.064 1.00 0.00 N flip ATOM 0 H HIS A 5 5.936 13.218 -2.700 1.00 0.00 H new ATOM 0 HA HIS A 5 8.465 13.894 -1.316 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.368 16.006 -0.682 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.699 15.886 -2.399 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.647 15.548 -4.068 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.458 16.453 -1.445 1.00 0.00 H new ATOM 0 HE2 HIS A 5 3.167 16.016 -3.858 1.00 0.00 H new ATOM 74 N SER A 6 5.651 12.560 -0.457 1.00 0.00 N ATOM 75 CA SER A 6 4.842 11.938 0.575 1.00 0.00 C ATOM 76 C SER A 6 4.018 10.833 -0.063 1.00 0.00 C ATOM 77 O SER A 6 4.104 10.639 -1.284 1.00 0.00 O ATOM 78 CB SER A 6 3.898 12.978 1.149 1.00 0.00 C ATOM 79 OG SER A 6 3.026 13.479 0.138 1.00 0.00 O ATOM 0 H SER A 6 5.367 12.307 -1.404 1.00 0.00 H new ATOM 0 HA SER A 6 5.477 11.534 1.363 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.312 12.539 1.957 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.471 13.798 1.581 1.00 0.00 H new ATOM 0 HG SER A 6 2.424 14.147 0.527 1.00 0.00 H new ATOM 85 N ILE A 7 3.201 10.127 0.729 1.00 0.00 N ATOM 86 CA ILE A 7 2.315 9.113 0.163 1.00 0.00 C ATOM 87 C ILE A 7 1.243 9.789 -0.700 1.00 0.00 C ATOM 88 O ILE A 7 0.799 9.239 -1.702 1.00 0.00 O ATOM 89 CB ILE A 7 1.620 8.217 1.244 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.776 7.134 0.542 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.755 9.056 2.187 1.00 0.00 C ATOM 92 CD1 ILE A 7 0.058 6.203 1.470 1.00 0.00 C ATOM 0 H ILE A 7 3.138 10.238 1.741 1.00 0.00 H new ATOM 0 HA ILE A 7 2.942 8.455 -0.439 1.00 0.00 H new ATOM 0 HB ILE A 7 2.388 7.737 1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.043 7.623 -0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.427 6.548 -0.107 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.286 8.406 2.926 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.379 9.792 2.695 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.017 9.569 1.613 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.509 5.476 0.889 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.783 5.682 2.095 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.623 6.773 2.102 1.00 0.00 H new ATOM 104 N SER A 8 0.911 11.022 -0.343 1.00 0.00 N ATOM 105 CA SER A 8 -0.114 11.754 -1.020 1.00 0.00 C ATOM 106 C SER A 8 0.352 12.236 -2.402 1.00 0.00 C ATOM 107 O SER A 8 -0.426 12.838 -3.154 1.00 0.00 O ATOM 108 CB SER A 8 -0.611 12.906 -0.140 1.00 0.00 C ATOM 109 OG SER A 8 -1.044 12.427 1.131 1.00 0.00 O ATOM 0 H SER A 8 1.352 11.529 0.424 1.00 0.00 H new ATOM 0 HA SER A 8 -0.955 11.085 -1.199 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.187 13.636 -0.005 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.433 13.421 -0.638 1.00 0.00 H new ATOM 0 HG SER A 8 -1.142 13.181 1.749 1.00 0.00 H new ATOM 115 N ASP A 9 1.632 12.006 -2.733 1.00 0.00 N ATOM 116 CA ASP A 9 2.092 12.297 -4.090 1.00 0.00 C ATOM 117 C ASP A 9 1.916 11.084 -4.989 1.00 0.00 C ATOM 118 O ASP A 9 1.891 11.197 -6.215 1.00 0.00 O ATOM 119 CB ASP A 9 3.524 12.800 -4.148 1.00 0.00 C ATOM 120 CG ASP A 9 3.908 13.224 -5.561 1.00 0.00 C ATOM 121 OD1 ASP A 9 3.444 14.295 -6.030 1.00 0.00 O ATOM 122 OD2 ASP A 9 4.649 12.492 -6.233 1.00 0.00 O ATOM 0 H ASP A 9 2.341 11.633 -2.102 1.00 0.00 H new ATOM 0 HA ASP A 9 1.466 13.111 -4.455 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.643 13.644 -3.468 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.200 12.017 -3.805 1.00 0.00 H new ATOM 127 N TYR A 10 1.780 9.921 -4.395 1.00 0.00 N ATOM 128 CA TYR A 10 1.504 8.751 -5.182 1.00 0.00 C ATOM 129 C TYR A 10 0.092 8.819 -5.625 1.00 0.00 C ATOM 130 O TYR A 10 -0.789 9.130 -4.833 1.00 0.00 O ATOM 131 CB TYR A 10 1.685 7.444 -4.410 1.00 0.00 C ATOM 132 CG TYR A 10 3.098 6.974 -4.226 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.770 6.335 -5.260 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.750 7.121 -3.024 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.051 5.863 -5.085 1.00 0.00 C ATOM 136 CE2 TYR A 10 5.011 6.660 -2.854 1.00 0.00 C ATOM 137 CZ TYR A 10 5.663 6.032 -3.870 1.00 0.00 C ATOM 138 OH TYR A 10 6.949 5.580 -3.667 1.00 0.00 O ATOM 0 H TYR A 10 1.855 9.765 -3.390 1.00 0.00 H new ATOM 0 HA TYR A 10 2.211 8.745 -6.011 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.232 7.562 -3.426 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.128 6.662 -4.925 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.281 6.207 -6.214 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.248 7.612 -2.203 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.567 5.366 -5.894 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.505 6.792 -1.903 1.00 0.00 H new ATOM 0 HH TYR A 10 7.444 5.611 -4.512 1.00 0.00 H new ATOM 148 N THR A 11 -0.136 8.586 -6.863 1.00 0.00 N ATOM 149 CA THR A 11 -1.462 8.489 -7.333 1.00 0.00 C ATOM 150 C THR A 11 -2.022 7.168 -6.854 1.00 0.00 C ATOM 151 O THR A 11 -1.246 6.233 -6.582 1.00 0.00 O ATOM 152 CB THR A 11 -1.514 8.627 -8.862 1.00 0.00 C ATOM 153 OG1 THR A 11 -0.504 7.811 -9.447 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.307 10.070 -9.283 1.00 0.00 C ATOM 0 H THR A 11 0.585 8.458 -7.573 1.00 0.00 H new ATOM 0 HA THR A 11 -2.072 9.302 -6.940 1.00 0.00 H new ATOM 0 HB THR A 11 -2.497 8.305 -9.205 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.538 7.897 -10.423 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.348 10.141 -10.370 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.090 10.692 -8.849 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.334 10.415 -8.933 1.00 0.00 H new ATOM 162 N GLU A 12 -3.326 7.079 -6.717 1.00 0.00 N ATOM 163 CA GLU A 12 -3.947 5.881 -6.186 1.00 0.00 C ATOM 164 C GLU A 12 -3.595 4.670 -7.059 1.00 0.00 C ATOM 165 O GLU A 12 -3.395 3.579 -6.561 1.00 0.00 O ATOM 166 CB GLU A 12 -5.462 6.077 -6.036 1.00 0.00 C ATOM 167 CG GLU A 12 -6.166 4.989 -5.232 1.00 0.00 C ATOM 168 CD GLU A 12 -7.620 5.307 -4.981 1.00 0.00 C ATOM 169 OE1 GLU A 12 -7.922 6.122 -4.078 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.493 4.774 -5.694 1.00 0.00 O ATOM 0 H GLU A 12 -3.980 7.821 -6.966 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.555 5.685 -5.188 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.645 7.039 -5.558 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.909 6.124 -7.029 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.091 4.041 -5.765 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.656 4.859 -4.278 1.00 0.00 H new ATOM 177 N ALA A 13 -3.445 4.906 -8.354 1.00 0.00 N ATOM 178 CA ALA A 13 -3.031 3.860 -9.289 1.00 0.00 C ATOM 179 C ALA A 13 -1.545 3.480 -9.090 1.00 0.00 C ATOM 180 O ALA A 13 -1.187 2.304 -9.135 1.00 0.00 O ATOM 181 CB ALA A 13 -3.288 4.296 -10.723 1.00 0.00 C ATOM 0 H ALA A 13 -3.604 5.816 -8.787 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.629 2.972 -9.083 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.974 3.506 -11.405 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.352 4.491 -10.859 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.723 5.204 -10.934 1.00 0.00 H new ATOM 187 N GLU A 14 -0.688 4.470 -8.857 1.00 0.00 N ATOM 188 CA GLU A 14 0.745 4.216 -8.628 1.00 0.00 C ATOM 189 C GLU A 14 1.009 3.595 -7.289 1.00 0.00 C ATOM 190 O GLU A 14 1.962 2.843 -7.125 1.00 0.00 O ATOM 191 CB GLU A 14 1.575 5.468 -8.810 1.00 0.00 C ATOM 192 CG GLU A 14 1.822 5.811 -10.252 1.00 0.00 C ATOM 193 CD GLU A 14 2.679 4.776 -10.913 1.00 0.00 C ATOM 194 OE1 GLU A 14 3.902 4.791 -10.688 1.00 0.00 O ATOM 195 OE2 GLU A 14 2.166 3.938 -11.677 1.00 0.00 O ATOM 0 H GLU A 14 -0.952 5.455 -8.820 1.00 0.00 H new ATOM 0 HA GLU A 14 1.050 3.496 -9.387 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.070 6.304 -8.326 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.532 5.338 -8.305 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.871 5.890 -10.778 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.306 6.785 -10.320 1.00 0.00 H new ATOM 202 N PHE A 15 0.185 3.906 -6.342 1.00 0.00 N ATOM 203 CA PHE A 15 0.275 3.292 -5.050 1.00 0.00 C ATOM 204 C PHE A 15 -0.278 1.907 -5.136 1.00 0.00 C ATOM 205 O PHE A 15 0.165 1.026 -4.472 1.00 0.00 O ATOM 206 CB PHE A 15 -0.439 4.100 -3.993 1.00 0.00 C ATOM 207 CG PHE A 15 -0.246 3.553 -2.620 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.832 3.951 -1.857 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.147 2.646 -2.087 1.00 0.00 C ATOM 210 CE1 PHE A 15 1.009 3.454 -0.595 1.00 0.00 C ATOM 211 CE2 PHE A 15 -0.976 2.155 -0.827 1.00 0.00 C ATOM 212 CZ PHE A 15 0.101 2.556 -0.081 1.00 0.00 C ATOM 0 H PHE A 15 -0.567 4.589 -6.437 1.00 0.00 H new ATOM 0 HA PHE A 15 1.322 3.250 -4.751 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.079 5.128 -4.023 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.504 4.128 -4.222 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.541 4.660 -2.259 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.994 2.325 -2.676 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.858 3.765 -0.004 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.687 1.452 -0.418 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.238 2.165 0.916 1.00 0.00 H new ATOM 222 N LEU A 16 -1.237 1.716 -5.965 1.00 0.00 N ATOM 223 CA LEU A 16 -1.783 0.401 -6.165 1.00 0.00 C ATOM 224 C LEU A 16 -0.747 -0.494 -6.869 1.00 0.00 C ATOM 225 O LEU A 16 -0.788 -1.710 -6.803 1.00 0.00 O ATOM 226 CB LEU A 16 -3.134 0.524 -6.867 1.00 0.00 C ATOM 227 CG LEU A 16 -3.923 -0.722 -7.057 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.385 -0.413 -7.047 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.619 -1.338 -8.352 1.00 0.00 C ATOM 0 H LEU A 16 -1.671 2.450 -6.525 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.987 -0.102 -5.220 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.745 1.226 -6.300 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.965 0.968 -7.848 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.662 -1.400 -6.244 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.952 -1.333 -7.187 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.655 0.038 -6.092 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.616 0.282 -7.855 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.208 -2.248 -8.469 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.865 -0.641 -9.153 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.558 -1.584 -8.398 1.00 0.00 H new ATOM 241 N GLU A 17 0.170 0.139 -7.493 1.00 0.00 N ATOM 242 CA GLU A 17 1.330 -0.506 -8.028 1.00 0.00 C ATOM 243 C GLU A 17 2.349 -0.841 -6.903 1.00 0.00 C ATOM 244 O GLU A 17 3.187 -1.701 -7.098 1.00 0.00 O ATOM 245 CB GLU A 17 1.972 0.354 -9.107 1.00 0.00 C ATOM 246 CG GLU A 17 1.626 -0.042 -10.528 1.00 0.00 C ATOM 247 CD GLU A 17 2.402 -1.264 -10.974 1.00 0.00 C ATOM 248 OE1 GLU A 17 3.620 -1.141 -11.180 1.00 0.00 O ATOM 249 OE2 GLU A 17 1.818 -2.363 -11.144 1.00 0.00 O ATOM 0 H GLU A 17 0.145 1.146 -7.656 1.00 0.00 H new ATOM 0 HA GLU A 17 1.017 -1.445 -8.484 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.673 1.390 -8.951 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.055 0.313 -8.987 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.557 -0.244 -10.600 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.839 0.790 -11.200 1.00 0.00 H new ATOM 256 N PHE A 18 2.255 -0.151 -5.718 1.00 0.00 N ATOM 257 CA PHE A 18 3.170 -0.414 -4.544 1.00 0.00 C ATOM 258 C PHE A 18 3.108 -1.866 -4.227 1.00 0.00 C ATOM 259 O PHE A 18 4.110 -2.568 -4.177 1.00 0.00 O ATOM 260 CB PHE A 18 2.775 0.423 -3.205 1.00 0.00 C ATOM 261 CG PHE A 18 2.010 -0.342 -2.022 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.609 -0.452 -1.980 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.717 -0.947 -0.982 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.037 -1.143 -0.934 1.00 0.00 C ATOM 265 CE2 PHE A 18 2.065 -1.625 0.048 1.00 0.00 C ATOM 266 CZ PHE A 18 0.699 -1.721 0.065 1.00 0.00 C ATOM 0 H PHE A 18 1.566 0.582 -5.549 1.00 0.00 H new ATOM 0 HA PHE A 18 4.169 -0.091 -4.835 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.694 0.839 -2.791 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.154 1.265 -3.511 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.017 0.000 -2.762 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.795 -0.889 -0.974 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.114 -1.216 -0.921 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.643 -2.079 0.840 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.204 -2.251 0.865 1.00 0.00 H new ATOM 276 N VAL A 19 1.902 -2.300 -4.104 1.00 0.00 N ATOM 277 CA VAL A 19 1.591 -3.606 -3.664 1.00 0.00 C ATOM 278 C VAL A 19 1.908 -4.629 -4.725 1.00 0.00 C ATOM 279 O VAL A 19 2.481 -5.664 -4.433 1.00 0.00 O ATOM 280 CB VAL A 19 0.123 -3.679 -3.169 1.00 0.00 C ATOM 281 CG1 VAL A 19 -0.860 -3.275 -4.229 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.200 -5.017 -2.560 1.00 0.00 C ATOM 0 H VAL A 19 1.081 -1.733 -4.315 1.00 0.00 H new ATOM 0 HA VAL A 19 2.224 -3.850 -2.811 1.00 0.00 H new ATOM 0 HB VAL A 19 0.024 -2.943 -2.371 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.873 -3.344 -3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.660 -2.249 -4.538 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.762 -3.939 -5.088 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.238 -5.024 -2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.052 -5.800 -3.303 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.456 -5.197 -1.708 1.00 0.00 H new ATOM 292 N LYS A 20 1.599 -4.294 -5.956 1.00 0.00 N ATOM 293 CA LYS A 20 1.869 -5.162 -7.072 1.00 0.00 C ATOM 294 C LYS A 20 3.373 -5.361 -7.230 1.00 0.00 C ATOM 295 O LYS A 20 3.833 -6.454 -7.521 1.00 0.00 O ATOM 296 CB LYS A 20 1.296 -4.563 -8.331 1.00 0.00 C ATOM 297 CG LYS A 20 -0.202 -4.507 -8.329 1.00 0.00 C ATOM 298 CD LYS A 20 -0.702 -3.944 -9.610 1.00 0.00 C ATOM 299 CE LYS A 20 -2.201 -4.052 -9.754 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.650 -3.689 -11.117 1.00 0.00 N ATOM 0 H LYS A 20 1.154 -3.412 -6.209 1.00 0.00 H new ATOM 0 HA LYS A 20 1.403 -6.131 -6.890 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.691 -3.555 -8.458 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.630 -5.147 -9.188 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.609 -5.507 -8.181 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.548 -3.895 -7.496 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.410 -2.896 -9.679 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.224 -4.463 -10.440 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.515 -5.071 -9.527 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.684 -3.400 -9.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.685 -3.776 -11.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.372 -2.708 -11.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.209 -4.328 -11.809 1.00 0.00 H new ATOM 314 N LYS A 21 4.125 -4.282 -7.007 1.00 0.00 N ATOM 315 CA LYS A 21 5.575 -4.305 -7.061 1.00 0.00 C ATOM 316 C LYS A 21 6.095 -5.250 -6.010 1.00 0.00 C ATOM 317 O LYS A 21 6.981 -6.034 -6.272 1.00 0.00 O ATOM 318 CB LYS A 21 6.153 -2.910 -6.810 1.00 0.00 C ATOM 319 CG LYS A 21 7.677 -2.836 -6.877 1.00 0.00 C ATOM 320 CD LYS A 21 8.211 -1.493 -6.383 1.00 0.00 C ATOM 321 CE LYS A 21 7.625 -0.327 -7.156 1.00 0.00 C ATOM 322 NZ LYS A 21 8.195 0.962 -6.724 1.00 0.00 N ATOM 0 H LYS A 21 3.736 -3.366 -6.783 1.00 0.00 H new ATOM 0 HA LYS A 21 5.880 -4.636 -8.054 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.736 -2.220 -7.543 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.828 -2.567 -5.828 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.105 -3.639 -6.276 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.002 -2.999 -7.905 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.979 -1.379 -5.324 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.297 -1.479 -6.475 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.811 -0.467 -8.221 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.544 -0.309 -7.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.768 1.733 -7.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.996 1.109 -5.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.224 0.955 -6.876 1.00 0.00 H new ATOM 336 N ILE A 22 5.522 -5.175 -4.823 1.00 0.00 N ATOM 337 CA ILE A 22 5.902 -6.063 -3.745 1.00 0.00 C ATOM 338 C ILE A 22 5.614 -7.492 -4.158 1.00 0.00 C ATOM 339 O ILE A 22 6.502 -8.311 -4.165 1.00 0.00 O ATOM 340 CB ILE A 22 5.159 -5.729 -2.425 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.433 -4.274 -2.043 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.615 -6.672 -1.307 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.741 -3.808 -0.795 1.00 0.00 C ATOM 0 H ILE A 22 4.790 -4.506 -4.583 1.00 0.00 H new ATOM 0 HA ILE A 22 6.967 -5.932 -3.555 1.00 0.00 H new ATOM 0 HB ILE A 22 4.087 -5.864 -2.569 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.508 -4.143 -1.916 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.129 -3.633 -2.871 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.086 -6.427 -0.386 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.396 -7.702 -1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.688 -6.559 -1.150 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.996 -2.765 -0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.662 -3.901 -0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.062 -4.419 0.049 1.00 0.00 H new ATOM 355 N CYS A 23 4.385 -7.737 -4.587 1.00 0.00 N ATOM 356 CA CYS A 23 3.926 -9.043 -5.033 1.00 0.00 C ATOM 357 C CYS A 23 4.832 -9.670 -6.115 1.00 0.00 C ATOM 358 O CYS A 23 5.046 -10.884 -6.124 1.00 0.00 O ATOM 359 CB CYS A 23 2.483 -8.926 -5.541 1.00 0.00 C ATOM 360 SG CYS A 23 1.274 -8.512 -4.260 1.00 0.00 S ATOM 0 H CYS A 23 3.664 -7.017 -4.636 1.00 0.00 H new ATOM 0 HA CYS A 23 3.971 -9.715 -4.176 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.445 -8.164 -6.320 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.196 -9.870 -6.004 1.00 0.00 H new ATOM 0 HG CYS A 23 1.377 -7.252 -3.957 1.00 0.00 H new ATOM 366 N ARG A 24 5.380 -8.852 -6.993 1.00 0.00 N ATOM 367 CA ARG A 24 6.199 -9.366 -8.072 1.00 0.00 C ATOM 368 C ARG A 24 7.706 -9.333 -7.779 1.00 0.00 C ATOM 369 O ARG A 24 8.452 -10.181 -8.263 1.00 0.00 O ATOM 370 CB ARG A 24 5.884 -8.645 -9.378 1.00 0.00 C ATOM 371 CG ARG A 24 6.201 -7.178 -9.388 1.00 0.00 C ATOM 372 CD ARG A 24 5.710 -6.563 -10.659 1.00 0.00 C ATOM 373 NE ARG A 24 6.032 -5.141 -10.748 1.00 0.00 N ATOM 374 CZ ARG A 24 5.126 -4.147 -10.835 1.00 0.00 C ATOM 375 NH1 ARG A 24 3.812 -4.394 -10.712 1.00 0.00 N ATOM 376 NH2 ARG A 24 5.533 -2.909 -11.018 1.00 0.00 N ATOM 0 H ARG A 24 5.274 -7.838 -6.981 1.00 0.00 H new ATOM 0 HA ARG A 24 5.939 -10.420 -8.170 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.439 -9.126 -10.184 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.824 -8.773 -9.599 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.734 -6.690 -8.533 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.276 -7.028 -9.292 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.151 -7.087 -11.507 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.630 -6.694 -10.730 1.00 0.00 H new ATOM 0 HE ARG A 24 7.018 -4.880 -10.744 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.485 -5.347 -10.550 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.141 -3.629 -10.781 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.530 -2.706 -11.093 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.852 -2.153 -11.085 1.00 0.00 H new ATOM 390 N ALA A 25 8.156 -8.395 -6.978 1.00 0.00 N ATOM 391 CA ALA A 25 9.586 -8.220 -6.750 1.00 0.00 C ATOM 392 C ALA A 25 10.027 -8.721 -5.382 1.00 0.00 C ATOM 393 O ALA A 25 11.144 -8.433 -4.939 1.00 0.00 O ATOM 394 CB ALA A 25 9.966 -6.756 -6.922 1.00 0.00 C ATOM 0 H ALA A 25 7.561 -7.739 -6.471 1.00 0.00 H new ATOM 0 HA ALA A 25 10.106 -8.825 -7.493 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.035 -6.635 -6.750 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.723 -6.433 -7.934 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.412 -6.150 -6.205 1.00 0.00 H new ATOM 400 N GLU A 26 9.190 -9.484 -4.732 1.00 0.00 N ATOM 401 CA GLU A 26 9.519 -10.005 -3.409 1.00 0.00 C ATOM 402 C GLU A 26 10.482 -11.190 -3.438 1.00 0.00 C ATOM 403 O GLU A 26 11.193 -11.448 -2.469 1.00 0.00 O ATOM 404 CB GLU A 26 8.241 -10.337 -2.598 1.00 0.00 C ATOM 405 CG GLU A 26 7.152 -11.160 -3.321 1.00 0.00 C ATOM 406 CD GLU A 26 7.575 -12.537 -3.725 1.00 0.00 C ATOM 407 OE1 GLU A 26 7.754 -13.392 -2.840 1.00 0.00 O ATOM 408 OE2 GLU A 26 7.756 -12.789 -4.936 1.00 0.00 O ATOM 0 H GLU A 26 8.275 -9.765 -5.085 1.00 0.00 H new ATOM 0 HA GLU A 26 10.051 -9.202 -2.899 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.539 -10.881 -1.702 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.795 -9.399 -2.268 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.282 -11.238 -2.669 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.835 -10.616 -4.211 1.00 0.00 H new ATOM 415 N GLY A 27 10.553 -11.861 -4.555 1.00 0.00 N ATOM 416 CA GLY A 27 11.279 -13.090 -4.603 1.00 0.00 C ATOM 417 C GLY A 27 12.713 -12.970 -4.991 1.00 0.00 C ATOM 418 O GLY A 27 13.111 -13.379 -6.084 1.00 0.00 O ATOM 0 H GLY A 27 10.120 -11.577 -5.434 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.224 -13.564 -3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.784 -13.758 -5.308 1.00 0.00 H new ATOM 422 N ALA A 28 13.475 -12.398 -4.115 1.00 0.00 N ATOM 423 CA ALA A 28 14.910 -12.388 -4.238 1.00 0.00 C ATOM 424 C ALA A 28 15.460 -12.878 -2.917 1.00 0.00 C ATOM 425 O ALA A 28 16.375 -13.693 -2.850 1.00 0.00 O ATOM 426 CB ALA A 28 15.418 -11.000 -4.576 1.00 0.00 C ATOM 0 H ALA A 28 13.123 -11.919 -3.286 1.00 0.00 H new ATOM 0 HA ALA A 28 15.239 -13.034 -5.052 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.504 -11.021 -4.663 1.00 0.00 H new ATOM 0 HB2 ALA A 28 14.985 -10.674 -5.522 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.131 -10.305 -3.787 1.00 0.00 H new ATOM 432 N THR A 29 14.881 -12.363 -1.868 1.00 0.00 N ATOM 433 CA THR A 29 15.113 -12.748 -0.499 1.00 0.00 C ATOM 434 C THR A 29 13.893 -12.224 0.219 1.00 0.00 C ATOM 435 O THR A 29 13.247 -11.319 -0.300 1.00 0.00 O ATOM 436 CB THR A 29 16.384 -12.063 0.081 1.00 0.00 C ATOM 437 OG1 THR A 29 17.480 -12.168 -0.848 1.00 0.00 O ATOM 438 CG2 THR A 29 16.810 -12.722 1.390 1.00 0.00 C ATOM 0 H THR A 29 14.191 -11.616 -1.949 1.00 0.00 H new ATOM 0 HA THR A 29 15.268 -13.822 -0.395 1.00 0.00 H new ATOM 0 HB THR A 29 16.137 -11.016 0.258 1.00 0.00 H new ATOM 0 HG1 THR A 29 18.272 -11.731 -0.470 1.00 0.00 H new ATOM 0 HG21 THR A 29 17.700 -12.225 1.775 1.00 0.00 H new ATOM 0 HG22 THR A 29 16.004 -12.638 2.119 1.00 0.00 H new ATOM 0 HG23 THR A 29 17.030 -13.775 1.213 1.00 0.00 H new ATOM 446 N GLU A 30 13.568 -12.752 1.365 1.00 0.00 N ATOM 447 CA GLU A 30 12.385 -12.313 2.094 1.00 0.00 C ATOM 448 C GLU A 30 12.553 -10.873 2.566 1.00 0.00 C ATOM 449 O GLU A 30 11.574 -10.146 2.774 1.00 0.00 O ATOM 450 CB GLU A 30 12.075 -13.256 3.253 1.00 0.00 C ATOM 451 CG GLU A 30 10.847 -12.853 4.058 1.00 0.00 C ATOM 452 CD GLU A 30 10.539 -13.766 5.210 1.00 0.00 C ATOM 453 OE1 GLU A 30 10.132 -14.926 4.979 1.00 0.00 O ATOM 454 OE2 GLU A 30 10.684 -13.342 6.375 1.00 0.00 O ATOM 0 H GLU A 30 14.100 -13.490 1.826 1.00 0.00 H new ATOM 0 HA GLU A 30 11.531 -12.343 1.418 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.928 -14.263 2.861 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.938 -13.296 3.918 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.992 -11.842 4.439 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.984 -12.822 3.393 1.00 0.00 H new ATOM 461 N GLU A 31 13.796 -10.439 2.693 1.00 0.00 N ATOM 462 CA GLU A 31 14.045 -9.071 3.037 1.00 0.00 C ATOM 463 C GLU A 31 13.597 -8.144 1.904 1.00 0.00 C ATOM 464 O GLU A 31 13.207 -7.034 2.162 1.00 0.00 O ATOM 465 CB GLU A 31 15.494 -8.813 3.451 1.00 0.00 C ATOM 466 CG GLU A 31 16.550 -9.035 2.387 1.00 0.00 C ATOM 467 CD GLU A 31 17.919 -8.662 2.898 1.00 0.00 C ATOM 468 OE1 GLU A 31 18.304 -7.480 2.808 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.616 -9.533 3.454 1.00 0.00 O ATOM 0 H GLU A 31 14.629 -11.013 2.563 1.00 0.00 H new ATOM 0 HA GLU A 31 13.446 -8.846 3.920 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.571 -7.783 3.799 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.726 -9.455 4.301 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.546 -10.080 2.078 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.313 -8.441 1.505 1.00 0.00 H new ATOM 476 N ASP A 32 13.603 -8.656 0.653 1.00 0.00 N ATOM 477 CA ASP A 32 13.131 -7.889 -0.530 1.00 0.00 C ATOM 478 C ASP A 32 11.682 -7.565 -0.418 1.00 0.00 C ATOM 479 O ASP A 32 11.238 -6.496 -0.827 1.00 0.00 O ATOM 480 CB ASP A 32 13.393 -8.611 -1.864 1.00 0.00 C ATOM 481 CG ASP A 32 14.709 -8.217 -2.467 1.00 0.00 C ATOM 482 OD1 ASP A 32 15.730 -8.821 -2.131 1.00 0.00 O ATOM 483 OD2 ASP A 32 14.737 -7.272 -3.290 1.00 0.00 O ATOM 0 H ASP A 32 13.929 -9.597 0.433 1.00 0.00 H new ATOM 0 HA ASP A 32 13.714 -6.968 -0.535 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.376 -9.689 -1.702 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.590 -8.381 -2.564 1.00 0.00 H new ATOM 488 N ASP A 33 10.958 -8.487 0.153 1.00 0.00 N ATOM 489 CA ASP A 33 9.531 -8.332 0.396 1.00 0.00 C ATOM 490 C ASP A 33 9.355 -7.267 1.454 1.00 0.00 C ATOM 491 O ASP A 33 8.835 -6.173 1.194 1.00 0.00 O ATOM 492 CB ASP A 33 8.955 -9.681 0.900 1.00 0.00 C ATOM 493 CG ASP A 33 7.437 -9.732 1.087 1.00 0.00 C ATOM 494 OD1 ASP A 33 6.854 -8.815 1.678 1.00 0.00 O ATOM 495 OD2 ASP A 33 6.814 -10.744 0.642 1.00 0.00 O ATOM 0 H ASP A 33 11.336 -9.380 0.470 1.00 0.00 H new ATOM 0 HA ASP A 33 9.008 -8.043 -0.516 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.241 -10.462 0.195 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.427 -9.922 1.852 1.00 0.00 H new ATOM 500 N ASN A 34 9.904 -7.559 2.610 1.00 0.00 N ATOM 501 CA ASN A 34 9.781 -6.724 3.787 1.00 0.00 C ATOM 502 C ASN A 34 10.284 -5.294 3.587 1.00 0.00 C ATOM 503 O ASN A 34 9.632 -4.364 4.027 1.00 0.00 O ATOM 504 CB ASN A 34 10.437 -7.408 4.987 1.00 0.00 C ATOM 505 CG ASN A 34 10.505 -6.551 6.243 1.00 0.00 C ATOM 506 OD1 ASN A 34 9.563 -6.508 7.038 1.00 0.00 O ATOM 507 ND2 ASN A 34 11.627 -5.918 6.467 1.00 0.00 N ATOM 0 H ASN A 34 10.460 -8.400 2.764 1.00 0.00 H new ATOM 0 HA ASN A 34 8.715 -6.612 3.988 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.886 -8.321 5.215 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.448 -7.706 4.711 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.741 -5.369 7.319 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.388 -5.973 5.790 1.00 0.00 H new ATOM 514 N LYS A 35 11.409 -5.108 2.897 1.00 0.00 N ATOM 515 CA LYS A 35 11.938 -3.758 2.694 1.00 0.00 C ATOM 516 C LYS A 35 11.000 -2.907 1.854 1.00 0.00 C ATOM 517 O LYS A 35 10.822 -1.718 2.143 1.00 0.00 O ATOM 518 CB LYS A 35 13.375 -3.745 2.140 1.00 0.00 C ATOM 519 CG LYS A 35 13.556 -4.396 0.785 1.00 0.00 C ATOM 520 CD LYS A 35 15.029 -4.487 0.414 1.00 0.00 C ATOM 521 CE LYS A 35 15.641 -3.131 0.092 1.00 0.00 C ATOM 522 NZ LYS A 35 14.997 -2.493 -1.071 1.00 0.00 N ATOM 0 H LYS A 35 11.962 -5.856 2.477 1.00 0.00 H new ATOM 0 HA LYS A 35 11.996 -3.306 3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.711 -2.710 2.075 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.026 -4.247 2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.118 -5.394 0.796 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.022 -3.822 0.028 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.579 -4.942 1.238 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.142 -5.145 -0.447 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.550 -2.478 0.960 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.706 -3.252 -0.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.600 -1.722 -1.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.863 -3.198 -1.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.073 -2.109 -0.789 1.00 0.00 H new ATOM 536 N LEU A 36 10.343 -3.517 0.852 1.00 0.00 N ATOM 537 CA LEU A 36 9.393 -2.764 0.057 1.00 0.00 C ATOM 538 C LEU A 36 8.193 -2.439 0.906 1.00 0.00 C ATOM 539 O LEU A 36 7.727 -1.309 0.936 1.00 0.00 O ATOM 540 CB LEU A 36 8.961 -3.509 -1.215 1.00 0.00 C ATOM 541 CG LEU A 36 10.019 -3.686 -2.308 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.450 -4.493 -3.463 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.489 -2.330 -2.809 1.00 0.00 C ATOM 0 H LEU A 36 10.455 -4.496 0.589 1.00 0.00 H new ATOM 0 HA LEU A 36 9.884 -1.849 -0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.605 -4.497 -0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.112 -2.979 -1.647 1.00 0.00 H new ATOM 0 HG LEU A 36 10.869 -4.222 -1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.212 -4.612 -4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.141 -5.475 -3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.589 -3.972 -3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.241 -2.470 -3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.642 -1.780 -3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.922 -1.767 -1.982 1.00 0.00 H new ATOM 555 N VAL A 37 7.736 -3.423 1.648 1.00 0.00 N ATOM 556 CA VAL A 37 6.598 -3.242 2.524 1.00 0.00 C ATOM 557 C VAL A 37 6.875 -2.147 3.542 1.00 0.00 C ATOM 558 O VAL A 37 6.059 -1.280 3.735 1.00 0.00 O ATOM 559 CB VAL A 37 6.213 -4.540 3.286 1.00 0.00 C ATOM 560 CG1 VAL A 37 4.971 -4.309 4.117 1.00 0.00 C ATOM 561 CG2 VAL A 37 5.983 -5.694 2.339 1.00 0.00 C ATOM 0 H VAL A 37 8.136 -4.361 1.663 1.00 0.00 H new ATOM 0 HA VAL A 37 5.763 -2.963 1.881 1.00 0.00 H new ATOM 0 HB VAL A 37 7.047 -4.798 3.939 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.711 -5.226 4.646 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.159 -3.514 4.839 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.146 -4.020 3.466 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.716 -6.584 2.908 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.173 -5.446 1.653 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.894 -5.886 1.772 1.00 0.00 H new ATOM 571 N ARG A 38 8.043 -2.158 4.146 1.00 0.00 N ATOM 572 CA ARG A 38 8.324 -1.211 5.202 1.00 0.00 C ATOM 573 C ARG A 38 8.475 0.215 4.693 1.00 0.00 C ATOM 574 O ARG A 38 8.161 1.164 5.427 1.00 0.00 O ATOM 575 CB ARG A 38 9.530 -1.587 6.073 1.00 0.00 C ATOM 576 CG ARG A 38 9.507 -2.981 6.707 1.00 0.00 C ATOM 577 CD ARG A 38 8.128 -3.413 7.206 1.00 0.00 C ATOM 578 NE ARG A 38 7.508 -2.496 8.164 1.00 0.00 N ATOM 579 CZ ARG A 38 6.366 -2.760 8.821 1.00 0.00 C ATOM 580 NH1 ARG A 38 5.794 -3.957 8.708 1.00 0.00 N ATOM 581 NH2 ARG A 38 5.814 -1.842 9.596 1.00 0.00 N ATOM 0 H ARG A 38 8.803 -2.802 3.928 1.00 0.00 H new ATOM 0 HA ARG A 38 7.440 -1.259 5.838 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.430 -1.504 5.464 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.617 -0.850 6.872 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.862 -3.708 5.976 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.207 -3.001 7.542 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.465 -3.523 6.348 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.216 -4.396 7.669 1.00 0.00 H new ATOM 0 HE ARG A 38 7.970 -1.604 8.343 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.223 -4.674 8.123 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.927 -4.157 9.207 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.255 -0.928 9.697 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.947 -2.048 10.092 1.00 0.00 H new ATOM 595 N GLU A 39 8.950 0.400 3.455 1.00 0.00 N ATOM 596 CA GLU A 39 9.052 1.758 2.945 1.00 0.00 C ATOM 597 C GLU A 39 7.654 2.312 2.720 1.00 0.00 C ATOM 598 O GLU A 39 7.366 3.472 3.046 1.00 0.00 O ATOM 599 CB GLU A 39 9.914 1.893 1.662 1.00 0.00 C ATOM 600 CG GLU A 39 9.317 1.310 0.389 1.00 0.00 C ATOM 601 CD GLU A 39 10.147 1.612 -0.829 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.135 0.906 -1.088 1.00 0.00 O ATOM 603 OE2 GLU A 39 9.839 2.588 -1.542 1.00 0.00 O ATOM 0 H GLU A 39 9.254 -0.338 2.820 1.00 0.00 H new ATOM 0 HA GLU A 39 9.577 2.342 3.701 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.115 2.951 1.493 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.875 1.411 1.842 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.219 0.230 0.499 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.312 1.708 0.248 1.00 0.00 H new ATOM 610 N PHE A 40 6.782 1.458 2.229 1.00 0.00 N ATOM 611 CA PHE A 40 5.429 1.827 1.960 1.00 0.00 C ATOM 612 C PHE A 40 4.613 1.950 3.236 1.00 0.00 C ATOM 613 O PHE A 40 3.855 2.889 3.391 1.00 0.00 O ATOM 614 CB PHE A 40 4.802 0.885 0.941 1.00 0.00 C ATOM 615 CG PHE A 40 5.380 1.041 -0.454 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.256 2.237 -1.146 1.00 0.00 C ATOM 617 CD2 PHE A 40 6.054 -0.002 -1.063 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.792 2.379 -2.414 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.590 0.131 -2.325 1.00 0.00 C ATOM 620 CZ PHE A 40 6.461 1.320 -3.001 1.00 0.00 C ATOM 0 H PHE A 40 7.003 0.487 2.008 1.00 0.00 H new ATOM 0 HA PHE A 40 5.431 2.821 1.512 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.943 -0.144 1.272 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.727 1.064 0.904 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.736 3.066 -0.690 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.162 -0.940 -0.538 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.688 3.314 -2.944 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.111 -0.698 -2.782 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.882 1.428 -3.990 1.00 0.00 H new ATOM 630 N GLU A 41 4.834 1.041 4.161 1.00 0.00 N ATOM 631 CA GLU A 41 4.169 1.040 5.454 1.00 0.00 C ATOM 632 C GLU A 41 4.523 2.252 6.323 1.00 0.00 C ATOM 633 O GLU A 41 3.743 2.662 7.191 1.00 0.00 O ATOM 634 CB GLU A 41 4.357 -0.306 6.166 1.00 0.00 C ATOM 635 CG GLU A 41 3.153 -1.201 5.953 1.00 0.00 C ATOM 636 CD GLU A 41 2.006 -0.707 6.750 1.00 0.00 C ATOM 637 OE1 GLU A 41 1.239 0.142 6.268 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.840 -1.205 7.888 1.00 0.00 O ATOM 0 H GLU A 41 5.489 0.269 4.038 1.00 0.00 H new ATOM 0 HA GLU A 41 3.101 1.153 5.267 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.253 -0.799 5.790 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.508 -0.140 7.233 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.889 -1.223 4.896 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.394 -2.224 6.243 1.00 0.00 H new ATOM 645 N ARG A 42 5.679 2.839 6.088 1.00 0.00 N ATOM 646 CA ARG A 42 6.034 4.066 6.768 1.00 0.00 C ATOM 647 C ARG A 42 5.211 5.206 6.193 1.00 0.00 C ATOM 648 O ARG A 42 4.707 6.055 6.913 1.00 0.00 O ATOM 649 CB ARG A 42 7.517 4.353 6.592 1.00 0.00 C ATOM 650 CG ARG A 42 8.006 5.640 7.259 1.00 0.00 C ATOM 651 CD ARG A 42 7.607 5.728 8.730 1.00 0.00 C ATOM 652 NE ARG A 42 8.138 4.625 9.524 1.00 0.00 N ATOM 653 CZ ARG A 42 7.700 4.249 10.734 1.00 0.00 C ATOM 654 NH1 ARG A 42 6.667 4.872 11.303 1.00 0.00 N ATOM 655 NH2 ARG A 42 8.295 3.240 11.360 1.00 0.00 N ATOM 0 H ARG A 42 6.382 2.490 5.437 1.00 0.00 H new ATOM 0 HA ARG A 42 5.826 3.965 7.833 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.085 3.514 6.994 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.738 4.406 5.526 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.091 5.697 7.177 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.600 6.499 6.724 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.963 6.672 9.143 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.520 5.736 8.808 1.00 0.00 H new ATOM 0 HE ARG A 42 8.911 4.093 9.123 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.204 5.640 10.817 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.340 4.580 12.224 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.079 2.758 10.920 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.968 2.947 12.281 1.00 0.00 H new ATOM 669 N LEU A 43 5.083 5.181 4.902 1.00 0.00 N ATOM 670 CA LEU A 43 4.328 6.178 4.149 1.00 0.00 C ATOM 671 C LEU A 43 2.844 6.163 4.527 1.00 0.00 C ATOM 672 O LEU A 43 2.238 7.223 4.757 1.00 0.00 O ATOM 673 CB LEU A 43 4.484 5.913 2.648 1.00 0.00 C ATOM 674 CG LEU A 43 5.890 6.057 2.090 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.942 5.552 0.659 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.323 7.511 2.149 1.00 0.00 C ATOM 0 H LEU A 43 5.503 4.459 4.316 1.00 0.00 H new ATOM 0 HA LEU A 43 4.726 7.162 4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.133 4.902 2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.828 6.596 2.108 1.00 0.00 H new ATOM 0 HG LEU A 43 6.573 5.460 2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.955 5.661 0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.655 4.501 0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.254 6.131 0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.332 7.607 1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.638 8.119 1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.311 7.853 3.184 1.00 0.00 H new ATOM 688 N THR A 44 2.290 4.976 4.601 1.00 0.00 N ATOM 689 CA THR A 44 0.892 4.759 4.889 1.00 0.00 C ATOM 690 C THR A 44 0.534 5.081 6.311 1.00 0.00 C ATOM 691 O THR A 44 -0.520 5.690 6.558 1.00 0.00 O ATOM 692 CB THR A 44 0.546 3.301 4.596 1.00 0.00 C ATOM 693 OG1 THR A 44 1.520 2.484 5.226 1.00 0.00 O ATOM 694 CG2 THR A 44 0.605 3.083 3.126 1.00 0.00 C ATOM 0 H THR A 44 2.813 4.112 4.459 1.00 0.00 H new ATOM 0 HA THR A 44 0.317 5.433 4.254 1.00 0.00 H new ATOM 0 HB THR A 44 -0.451 3.058 4.965 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.076 1.742 5.687 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.360 2.045 2.902 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.111 3.740 2.632 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.609 3.305 2.765 1.00 0.00 H new ATOM 702 N GLU A 45 1.415 4.681 7.245 1.00 0.00 N ATOM 703 CA GLU A 45 1.178 4.762 8.641 1.00 0.00 C ATOM 704 C GLU A 45 -0.011 3.821 8.952 1.00 0.00 C ATOM 705 O GLU A 45 -0.765 3.978 9.926 1.00 0.00 O ATOM 706 CB GLU A 45 0.940 6.219 9.074 1.00 0.00 C ATOM 707 CG GLU A 45 0.820 6.352 10.545 1.00 0.00 C ATOM 708 CD GLU A 45 2.098 6.066 11.281 1.00 0.00 C ATOM 709 OE1 GLU A 45 2.417 4.886 11.512 1.00 0.00 O ATOM 710 OE2 GLU A 45 2.789 7.019 11.677 1.00 0.00 O ATOM 0 H GLU A 45 2.326 4.287 7.012 1.00 0.00 H new ATOM 0 HA GLU A 45 2.045 4.438 9.217 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.763 6.841 8.720 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.032 6.593 8.602 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.491 7.363 10.784 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.046 5.672 10.901 1.00 0.00 H new ATOM 717 N HIS A 46 -0.131 2.799 8.129 1.00 0.00 N ATOM 718 CA HIS A 46 -1.193 1.874 8.259 1.00 0.00 C ATOM 719 C HIS A 46 -0.768 0.790 9.281 1.00 0.00 C ATOM 720 O HIS A 46 0.383 0.467 9.390 1.00 0.00 O ATOM 721 CB HIS A 46 -1.599 1.291 6.862 1.00 0.00 C ATOM 722 CG HIS A 46 -2.886 0.524 6.890 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.998 -0.757 7.349 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.142 0.946 6.666 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.294 -1.054 7.436 1.00 0.00 C ATOM 726 NE2 HIS A 46 -5.030 -0.059 7.017 1.00 0.00 N ATOM 0 H HIS A 46 0.511 2.603 7.361 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.090 2.363 8.638 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.687 2.109 6.147 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.803 0.638 6.503 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.416 1.915 6.275 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.684 -1.992 7.804 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.048 -0.028 6.960 1.00 0.00 H new ATOM 734 N PRO A 47 -1.685 0.335 10.107 1.00 0.00 N ATOM 735 CA PRO A 47 -1.417 -0.673 11.134 1.00 0.00 C ATOM 736 C PRO A 47 -1.159 -2.045 10.604 1.00 0.00 C ATOM 737 O PRO A 47 -0.210 -2.722 10.989 1.00 0.00 O ATOM 738 CB PRO A 47 -2.710 -0.712 11.909 1.00 0.00 C ATOM 739 CG PRO A 47 -3.736 -0.086 11.065 1.00 0.00 C ATOM 740 CD PRO A 47 -3.035 0.837 10.182 1.00 0.00 C ATOM 0 HA PRO A 47 -0.520 -0.408 11.695 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.984 -1.739 12.151 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.609 -0.178 12.854 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.278 -0.837 10.490 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.471 0.441 11.673 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.499 0.868 9.196 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.056 1.853 10.577 1.00 0.00 H new ATOM 748 N ASP A 48 -1.986 -2.432 9.703 1.00 0.00 N ATOM 749 CA ASP A 48 -2.018 -3.764 9.235 1.00 0.00 C ATOM 750 C ASP A 48 -1.509 -3.782 7.850 1.00 0.00 C ATOM 751 O ASP A 48 -1.737 -4.707 7.138 1.00 0.00 O ATOM 752 CB ASP A 48 -3.461 -4.313 9.236 1.00 0.00 C ATOM 753 CG ASP A 48 -4.115 -4.331 10.591 1.00 0.00 C ATOM 754 OD1 ASP A 48 -3.958 -5.331 11.325 1.00 0.00 O ATOM 755 OD2 ASP A 48 -4.810 -3.346 10.950 1.00 0.00 O ATOM 0 H ASP A 48 -2.672 -1.818 9.263 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.406 -4.385 9.889 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.067 -3.710 8.561 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.452 -5.327 8.836 1.00 0.00 H new ATOM 760 N GLY A 49 -0.797 -2.735 7.481 1.00 0.00 N ATOM 761 CA GLY A 49 -0.310 -2.597 6.079 1.00 0.00 C ATOM 762 C GLY A 49 0.533 -3.709 5.639 1.00 0.00 C ATOM 763 O GLY A 49 0.374 -4.220 4.527 1.00 0.00 O ATOM 0 H GLY A 49 -0.535 -1.969 8.102 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.168 -2.516 5.412 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.253 -1.668 5.989 1.00 0.00 H new ATOM 767 N SER A 50 1.387 -4.114 6.482 1.00 0.00 N ATOM 768 CA SER A 50 2.209 -5.236 6.183 1.00 0.00 C ATOM 769 C SER A 50 1.351 -6.507 6.158 1.00 0.00 C ATOM 770 O SER A 50 1.416 -7.313 5.218 1.00 0.00 O ATOM 771 CB SER A 50 3.341 -5.300 7.178 1.00 0.00 C ATOM 772 OG SER A 50 2.858 -5.137 8.498 1.00 0.00 O ATOM 0 H SER A 50 1.547 -3.691 7.396 1.00 0.00 H new ATOM 0 HA SER A 50 2.657 -5.140 5.194 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.856 -6.257 7.090 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.072 -4.523 6.955 1.00 0.00 H new ATOM 0 HG SER A 50 3.434 -5.629 9.120 1.00 0.00 H new ATOM 778 N ASP A 51 0.465 -6.608 7.136 1.00 0.00 N ATOM 779 CA ASP A 51 -0.467 -7.723 7.275 1.00 0.00 C ATOM 780 C ASP A 51 -1.375 -7.858 6.066 1.00 0.00 C ATOM 781 O ASP A 51 -1.762 -8.933 5.738 1.00 0.00 O ATOM 782 CB ASP A 51 -1.332 -7.589 8.533 1.00 0.00 C ATOM 783 CG ASP A 51 -0.561 -7.738 9.812 1.00 0.00 C ATOM 784 OD1 ASP A 51 -0.435 -8.877 10.310 1.00 0.00 O ATOM 785 OD2 ASP A 51 -0.072 -6.724 10.359 1.00 0.00 O ATOM 0 H ASP A 51 0.369 -5.906 7.870 1.00 0.00 H new ATOM 0 HA ASP A 51 0.149 -8.619 7.358 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.821 -6.615 8.525 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.120 -8.342 8.504 1.00 0.00 H new ATOM 790 N LEU A 52 -1.687 -6.751 5.405 1.00 0.00 N ATOM 791 CA LEU A 52 -2.556 -6.729 4.197 1.00 0.00 C ATOM 792 C LEU A 52 -1.951 -7.553 3.090 1.00 0.00 C ATOM 793 O LEU A 52 -2.658 -8.142 2.280 1.00 0.00 O ATOM 794 CB LEU A 52 -2.743 -5.276 3.683 1.00 0.00 C ATOM 795 CG LEU A 52 -3.322 -4.258 4.667 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.459 -2.900 4.013 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.654 -4.716 5.226 1.00 0.00 C ATOM 0 H LEU A 52 -1.351 -5.828 5.680 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.522 -7.147 4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.773 -4.908 3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.392 -5.308 2.808 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.625 -4.175 5.501 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.873 -2.191 4.730 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.479 -2.554 3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.124 -2.976 3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.034 -3.967 5.921 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.365 -4.848 4.410 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.523 -5.663 5.749 1.00 0.00 H new ATOM 809 N ILE A 53 -0.653 -7.610 3.079 1.00 0.00 N ATOM 810 CA ILE A 53 0.059 -8.296 2.026 1.00 0.00 C ATOM 811 C ILE A 53 0.262 -9.761 2.397 1.00 0.00 C ATOM 812 O ILE A 53 0.135 -10.672 1.558 1.00 0.00 O ATOM 813 CB ILE A 53 1.425 -7.617 1.805 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.208 -6.127 1.520 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.192 -8.285 0.659 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.473 -5.328 1.482 1.00 0.00 C ATOM 0 H ILE A 53 -0.056 -7.188 3.790 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.525 -8.246 1.107 1.00 0.00 H new ATOM 0 HB ILE A 53 2.027 -7.726 2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.693 -6.021 0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.550 -5.713 2.284 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.152 -7.787 0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.359 -9.336 0.897 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.612 -8.209 -0.260 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.238 -4.284 1.275 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.979 -5.402 2.444 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.124 -5.715 0.698 1.00 0.00 H new ATOM 828 N TYR A 54 0.533 -9.979 3.651 1.00 0.00 N ATOM 829 CA TYR A 54 0.858 -11.296 4.150 1.00 0.00 C ATOM 830 C TYR A 54 -0.380 -12.106 4.514 1.00 0.00 C ATOM 831 O TYR A 54 -0.376 -13.335 4.432 1.00 0.00 O ATOM 832 CB TYR A 54 1.775 -11.169 5.348 1.00 0.00 C ATOM 833 CG TYR A 54 3.067 -10.455 5.056 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.903 -10.876 4.037 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.450 -9.365 5.802 1.00 0.00 C ATOM 836 CE1 TYR A 54 5.081 -10.223 3.779 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.621 -8.706 5.548 1.00 0.00 C ATOM 838 CZ TYR A 54 5.437 -9.136 4.539 1.00 0.00 C ATOM 839 OH TYR A 54 6.622 -8.473 4.288 1.00 0.00 O ATOM 0 H TYR A 54 0.536 -9.250 4.364 1.00 0.00 H new ATOM 0 HA TYR A 54 1.362 -11.837 3.350 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.249 -10.637 6.141 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.000 -12.166 5.728 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.624 -11.730 3.437 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.813 -9.023 6.604 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.726 -10.562 2.982 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.900 -7.849 6.143 1.00 0.00 H new ATOM 0 HH TYR A 54 6.822 -8.512 3.329 1.00 0.00 H new ATOM 849 N TYR A 55 -1.410 -11.423 4.911 1.00 0.00 N ATOM 850 CA TYR A 55 -2.649 -12.009 5.307 1.00 0.00 C ATOM 851 C TYR A 55 -3.728 -11.405 4.443 1.00 0.00 C ATOM 852 O TYR A 55 -3.873 -10.185 4.382 1.00 0.00 O ATOM 853 CB TYR A 55 -2.926 -11.760 6.806 1.00 0.00 C ATOM 854 CG TYR A 55 -1.931 -12.444 7.721 1.00 0.00 C ATOM 855 CD1 TYR A 55 -0.694 -11.876 7.999 1.00 0.00 C ATOM 856 CD2 TYR A 55 -2.223 -13.672 8.281 1.00 0.00 C ATOM 857 CE1 TYR A 55 0.219 -12.520 8.802 1.00 0.00 C ATOM 858 CE2 TYR A 55 -1.321 -14.321 9.093 1.00 0.00 C ATOM 859 CZ TYR A 55 -0.100 -13.744 9.347 1.00 0.00 C ATOM 860 OH TYR A 55 0.812 -14.398 10.147 1.00 0.00 O ATOM 0 H TYR A 55 -1.408 -10.405 4.969 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.620 -13.090 5.173 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.908 -10.687 6.998 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.930 -12.110 7.046 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.445 -10.913 7.578 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.179 -14.132 8.078 1.00 0.00 H new ATOM 0 HE1 TYR A 55 1.179 -12.069 9.004 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -1.571 -15.277 9.528 1.00 0.00 H new ATOM 0 HH TYR A 55 0.430 -15.248 10.451 1.00 0.00 H new ATOM 870 N PRO A 56 -4.451 -12.225 3.735 1.00 0.00 N ATOM 871 CA PRO A 56 -5.451 -11.765 2.788 1.00 0.00 C ATOM 872 C PRO A 56 -6.668 -11.094 3.424 1.00 0.00 C ATOM 873 O PRO A 56 -7.018 -11.331 4.587 1.00 0.00 O ATOM 874 CB PRO A 56 -5.863 -13.040 2.052 1.00 0.00 C ATOM 875 CG PRO A 56 -5.570 -14.136 3.016 1.00 0.00 C ATOM 876 CD PRO A 56 -4.355 -13.689 3.772 1.00 0.00 C ATOM 0 HA PRO A 56 -5.039 -10.987 2.146 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.919 -13.020 1.783 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.300 -13.164 1.127 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.411 -14.303 3.688 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.385 -15.077 2.497 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.357 -14.066 4.795 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.437 -14.043 3.303 1.00 0.00 H new ATOM 884 N ARG A 57 -7.311 -10.277 2.629 1.00 0.00 N ATOM 885 CA ARG A 57 -8.525 -9.573 3.002 1.00 0.00 C ATOM 886 C ARG A 57 -9.630 -10.246 2.250 1.00 0.00 C ATOM 887 O ARG A 57 -10.508 -9.595 1.706 1.00 0.00 O ATOM 888 CB ARG A 57 -8.512 -8.173 2.497 1.00 0.00 C ATOM 889 CG ARG A 57 -7.192 -7.420 2.664 1.00 0.00 C ATOM 890 CD ARG A 57 -6.786 -7.331 4.126 1.00 0.00 C ATOM 891 NE ARG A 57 -7.739 -6.556 4.945 1.00 0.00 N ATOM 892 CZ ARG A 57 -8.112 -6.875 6.200 1.00 0.00 C ATOM 893 NH1 ARG A 57 -7.606 -7.943 6.810 1.00 0.00 N ATOM 894 NH2 ARG A 57 -8.946 -6.091 6.847 1.00 0.00 N ATOM 0 H ARG A 57 -7.002 -10.074 1.679 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.630 -9.579 4.087 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.770 -8.186 1.438 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.295 -7.614 3.009 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.409 -7.924 2.097 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.289 -6.416 2.250 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.699 -8.338 4.535 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.799 -6.873 4.196 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.145 -5.717 4.530 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.927 -8.532 6.328 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.897 -8.173 7.760 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.306 -5.248 6.399 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.233 -6.325 7.797 1.00 0.00 H new ATOM 908 N ASP A 58 -9.558 -11.543 2.237 1.00 0.00 N ATOM 909 CA ASP A 58 -10.453 -12.476 1.498 1.00 0.00 C ATOM 910 C ASP A 58 -11.972 -12.214 1.732 1.00 0.00 C ATOM 911 O ASP A 58 -12.825 -12.775 1.051 1.00 0.00 O ATOM 912 CB ASP A 58 -10.079 -13.924 1.862 1.00 0.00 C ATOM 913 CG ASP A 58 -10.783 -14.965 1.022 1.00 0.00 C ATOM 914 OD1 ASP A 58 -10.287 -15.291 -0.086 1.00 0.00 O ATOM 915 OD2 ASP A 58 -11.825 -15.482 1.443 1.00 0.00 O ATOM 0 H ASP A 58 -8.840 -12.040 2.764 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.296 -12.300 0.434 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.002 -14.050 1.752 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.315 -14.097 2.912 1.00 0.00 H new ATOM 920 N ASP A 59 -12.280 -11.330 2.661 1.00 0.00 N ATOM 921 CA ASP A 59 -13.668 -10.920 2.931 1.00 0.00 C ATOM 922 C ASP A 59 -14.161 -10.056 1.776 1.00 0.00 C ATOM 923 O ASP A 59 -15.327 -10.107 1.376 1.00 0.00 O ATOM 924 CB ASP A 59 -13.741 -10.143 4.248 1.00 0.00 C ATOM 925 CG ASP A 59 -15.043 -9.389 4.441 1.00 0.00 C ATOM 926 OD1 ASP A 59 -16.055 -9.997 4.847 1.00 0.00 O ATOM 927 OD2 ASP A 59 -15.068 -8.164 4.189 1.00 0.00 O ATOM 0 H ASP A 59 -11.588 -10.871 3.254 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.302 -11.802 3.021 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.608 -10.838 5.077 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -12.913 -9.436 4.289 1.00 0.00 H new ATOM 932 N ARG A 60 -13.245 -9.303 1.231 1.00 0.00 N ATOM 933 CA ARG A 60 -13.483 -8.472 0.088 1.00 0.00 C ATOM 934 C ARG A 60 -12.656 -9.065 -1.027 1.00 0.00 C ATOM 935 O ARG A 60 -12.211 -10.215 -0.908 1.00 0.00 O ATOM 936 CB ARG A 60 -13.015 -7.041 0.372 1.00 0.00 C ATOM 937 CG ARG A 60 -11.516 -6.892 0.538 1.00 0.00 C ATOM 938 CD ARG A 60 -11.149 -5.472 0.772 1.00 0.00 C ATOM 939 NE ARG A 60 -11.661 -4.979 2.046 1.00 0.00 N ATOM 940 CZ ARG A 60 -11.220 -3.898 2.667 1.00 0.00 C ATOM 941 NH1 ARG A 60 -10.258 -3.161 2.126 1.00 0.00 N ATOM 942 NH2 ARG A 60 -11.732 -3.550 3.834 1.00 0.00 N ATOM 0 H ARG A 60 -12.288 -9.251 1.581 1.00 0.00 H new ATOM 0 HA ARG A 60 -14.542 -8.432 -0.166 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -13.344 -6.396 -0.443 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -13.505 -6.685 1.278 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.176 -7.503 1.374 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -11.009 -7.261 -0.353 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.064 -5.370 0.753 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.541 -4.858 -0.039 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.413 -5.506 2.490 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.856 -3.428 1.227 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.921 -2.328 2.609 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.468 -4.115 4.257 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.391 -2.716 4.312 1.00 0.00 H new ATOM 956 N GLU A 61 -12.454 -8.341 -2.091 1.00 0.00 N ATOM 957 CA GLU A 61 -11.553 -8.792 -3.101 1.00 0.00 C ATOM 958 C GLU A 61 -10.140 -8.747 -2.547 1.00 0.00 C ATOM 959 O GLU A 61 -9.656 -7.689 -2.111 1.00 0.00 O ATOM 960 CB GLU A 61 -11.624 -7.926 -4.338 1.00 0.00 C ATOM 961 CG GLU A 61 -10.676 -8.384 -5.420 1.00 0.00 C ATOM 962 CD GLU A 61 -11.031 -9.734 -5.995 1.00 0.00 C ATOM 963 OE1 GLU A 61 -10.732 -10.764 -5.365 1.00 0.00 O ATOM 964 OE2 GLU A 61 -11.587 -9.779 -7.107 1.00 0.00 O ATOM 0 H GLU A 61 -12.900 -7.443 -2.277 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.832 -9.808 -3.382 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.643 -7.934 -4.725 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.393 -6.895 -4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.668 -7.646 -6.222 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.665 -8.424 -5.014 1.00 0.00 H new ATOM 971 N ASP A 62 -9.489 -9.861 -2.543 1.00 0.00 N ATOM 972 CA ASP A 62 -8.142 -9.909 -2.079 1.00 0.00 C ATOM 973 C ASP A 62 -7.238 -9.821 -3.256 1.00 0.00 C ATOM 974 O ASP A 62 -6.927 -10.818 -3.920 1.00 0.00 O ATOM 975 CB ASP A 62 -7.833 -11.143 -1.253 1.00 0.00 C ATOM 976 CG ASP A 62 -6.418 -11.097 -0.718 1.00 0.00 C ATOM 977 OD1 ASP A 62 -6.151 -10.287 0.195 1.00 0.00 O ATOM 978 OD2 ASP A 62 -5.552 -11.885 -1.181 1.00 0.00 O ATOM 0 H ASP A 62 -9.869 -10.754 -2.857 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.986 -9.064 -1.408 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.537 -11.216 -0.424 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.966 -12.036 -1.863 1.00 0.00 H new ATOM 983 N SER A 63 -6.908 -8.642 -3.583 1.00 0.00 N ATOM 984 CA SER A 63 -6.084 -8.366 -4.691 1.00 0.00 C ATOM 985 C SER A 63 -5.193 -7.215 -4.315 1.00 0.00 C ATOM 986 O SER A 63 -5.414 -6.606 -3.251 1.00 0.00 O ATOM 987 CB SER A 63 -6.994 -7.963 -5.857 1.00 0.00 C ATOM 988 OG SER A 63 -7.787 -6.824 -5.514 1.00 0.00 O ATOM 0 H SER A 63 -7.211 -7.811 -3.074 1.00 0.00 H new ATOM 0 HA SER A 63 -5.478 -9.226 -4.977 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.389 -7.739 -6.735 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.644 -8.797 -6.122 1.00 0.00 H new ATOM 0 HG SER A 63 -8.468 -6.680 -6.204 1.00 0.00 H new ATOM 994 N PRO A 64 -4.152 -6.909 -5.129 1.00 0.00 N ATOM 995 CA PRO A 64 -3.364 -5.694 -4.967 1.00 0.00 C ATOM 996 C PRO A 64 -4.298 -4.476 -4.787 1.00 0.00 C ATOM 997 O PRO A 64 -4.070 -3.633 -3.921 1.00 0.00 O ATOM 998 CB PRO A 64 -2.581 -5.631 -6.303 1.00 0.00 C ATOM 999 CG PRO A 64 -2.356 -7.054 -6.634 1.00 0.00 C ATOM 1000 CD PRO A 64 -3.611 -7.765 -6.215 1.00 0.00 C ATOM 0 HA PRO A 64 -2.712 -5.689 -4.094 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.152 -5.123 -7.080 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.641 -5.090 -6.193 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.168 -7.184 -7.700 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.487 -7.447 -6.107 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.315 -7.856 -7.042 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.401 -8.775 -5.862 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.387 -4.444 -5.566 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.385 -3.388 -5.477 1.00 0.00 C ATOM 1010 C GLU A 65 -7.035 -3.357 -4.079 1.00 0.00 C ATOM 1011 O GLU A 65 -7.072 -2.315 -3.430 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.489 -3.592 -6.505 1.00 0.00 C ATOM 1013 CG GLU A 65 -8.386 -2.380 -6.648 1.00 0.00 C ATOM 1014 CD GLU A 65 -9.827 -2.722 -6.908 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -10.130 -3.495 -7.853 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -10.699 -2.220 -6.171 1.00 0.00 O ATOM 0 H GLU A 65 -5.594 -5.151 -6.272 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.868 -2.447 -5.668 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.041 -3.824 -7.472 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.092 -4.453 -6.218 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.322 -1.782 -5.739 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.016 -1.759 -7.464 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.539 -4.510 -3.633 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.228 -4.601 -2.346 1.00 0.00 C ATOM 1025 C GLY A 66 -7.338 -4.231 -1.170 1.00 0.00 C ATOM 1026 O GLY A 66 -7.812 -3.655 -0.172 1.00 0.00 O ATOM 0 H GLY A 66 -7.483 -5.391 -4.144 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.097 -3.944 -2.358 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.598 -5.617 -2.209 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.060 -4.560 -1.287 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.053 -4.201 -0.289 1.00 0.00 C ATOM 1032 C ILE A 67 -4.931 -2.683 -0.205 1.00 0.00 C ATOM 1033 O ILE A 67 -4.994 -2.093 0.879 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.679 -4.835 -0.654 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -3.755 -6.366 -0.526 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.537 -4.253 0.189 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.518 -7.095 -1.002 1.00 0.00 C ATOM 0 H ILE A 67 -5.687 -5.085 -2.078 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.362 -4.587 0.682 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.455 -4.585 -1.691 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.934 -6.623 0.518 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.614 -6.724 -1.094 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.597 -4.723 -0.098 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.472 -3.178 0.020 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.730 -4.444 1.245 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.657 -8.169 -0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.347 -6.872 -2.055 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.657 -6.770 -0.418 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.808 -2.065 -1.361 1.00 0.00 N ATOM 1050 CA VAL A 68 -4.720 -0.619 -1.478 1.00 0.00 C ATOM 1051 C VAL A 68 -5.975 0.027 -0.960 1.00 0.00 C ATOM 1052 O VAL A 68 -5.920 1.017 -0.239 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.487 -0.215 -2.945 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.557 1.303 -3.133 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.148 -0.726 -3.354 1.00 0.00 C ATOM 0 H VAL A 68 -4.766 -2.554 -2.255 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.876 -0.276 -0.879 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.271 -0.647 -3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.387 1.548 -4.181 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.541 1.662 -2.831 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.793 1.781 -2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.956 -0.454 -4.392 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.381 -0.288 -2.716 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.127 -1.811 -3.254 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.094 -0.580 -1.285 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.387 -0.090 -0.902 1.00 0.00 C ATOM 1067 C LYS A 69 -8.523 -0.015 0.612 1.00 0.00 C ATOM 1068 O LYS A 69 -9.193 0.871 1.128 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.473 -0.962 -1.498 1.00 0.00 C ATOM 1070 CG LYS A 69 -10.839 -0.307 -1.461 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.526 -0.405 -2.809 1.00 0.00 C ATOM 1072 CE LYS A 69 -10.756 0.393 -3.877 1.00 0.00 C ATOM 1073 NZ LYS A 69 -11.324 0.224 -5.231 1.00 0.00 N ATOM 0 H LYS A 69 -7.125 -1.441 -1.831 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.498 0.922 -1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.217 -1.199 -2.531 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.513 -1.906 -0.955 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.455 -0.785 -0.699 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.736 0.740 -1.177 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.597 -1.450 -3.111 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.545 -0.026 -2.731 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.765 1.450 -3.612 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.713 0.075 -3.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.770 0.781 -5.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.292 -0.781 -5.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.311 0.552 -5.237 1.00 0.00 H new ATOM 1087 N GLU A 70 -7.846 -0.910 1.313 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.878 -0.915 2.759 1.00 0.00 C ATOM 1089 C GLU A 70 -7.185 0.346 3.267 1.00 0.00 C ATOM 1090 O GLU A 70 -7.771 1.137 3.992 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.182 -2.158 3.308 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.425 -2.378 4.784 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.857 -2.743 5.062 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.757 -1.893 4.912 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.123 -3.900 5.394 1.00 0.00 O ATOM 0 H GLU A 70 -7.268 -1.642 0.900 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.913 -0.932 3.100 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.527 -3.032 2.756 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.110 -2.073 3.132 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.770 -3.170 5.147 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.166 -1.474 5.335 1.00 0.00 H new ATOM 1102 N ILE A 71 -5.961 0.544 2.804 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.150 1.709 3.135 1.00 0.00 C ATOM 1104 C ILE A 71 -5.855 3.015 2.749 1.00 0.00 C ATOM 1105 O ILE A 71 -5.807 4.016 3.469 1.00 0.00 O ATOM 1106 CB ILE A 71 -3.781 1.596 2.414 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -2.945 0.576 3.144 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.045 2.934 2.346 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -1.706 0.179 2.429 1.00 0.00 C ATOM 0 H ILE A 71 -5.494 -0.111 2.177 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.997 1.732 4.214 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.956 1.287 1.384 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.675 0.977 4.121 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.550 -0.313 3.321 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.093 2.800 1.832 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.653 3.656 1.801 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.863 3.301 3.356 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.164 -0.557 3.022 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.966 -0.254 1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.077 1.056 2.276 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.509 2.973 1.635 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.192 4.071 1.059 1.00 0.00 C ATOM 1123 C LYS A 72 -8.393 4.478 1.917 1.00 0.00 C ATOM 1124 O LYS A 72 -8.522 5.642 2.302 1.00 0.00 O ATOM 1125 CB LYS A 72 -7.546 3.607 -0.363 1.00 0.00 C ATOM 1126 CG LYS A 72 -8.272 4.535 -1.282 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.719 4.582 -0.988 1.00 0.00 C ATOM 1128 CE LYS A 72 -10.436 5.292 -2.078 1.00 0.00 C ATOM 1129 NZ LYS A 72 -9.928 6.665 -2.308 1.00 0.00 N ATOM 0 H LYS A 72 -6.581 2.123 1.076 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.595 4.982 1.012 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.616 3.323 -0.855 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.147 2.702 -0.271 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.851 5.536 -1.193 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.121 4.216 -2.313 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.110 3.570 -0.883 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.889 5.090 -0.039 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.344 4.718 -3.000 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.498 5.339 -1.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.640 7.216 -2.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.736 7.122 -1.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.050 6.622 -2.864 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.223 3.531 2.237 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.411 3.791 3.011 1.00 0.00 C ATOM 1145 C GLU A 73 -10.102 4.057 4.472 1.00 0.00 C ATOM 1146 O GLU A 73 -10.742 4.902 5.105 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.390 2.647 2.841 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.074 2.662 1.492 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.028 3.823 1.385 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -12.626 4.922 0.961 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -14.207 3.653 1.740 1.00 0.00 O ATOM 0 H GLU A 73 -9.100 2.554 1.971 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.870 4.705 2.633 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.863 1.701 2.966 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.144 2.699 3.627 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.326 2.727 0.702 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.615 1.727 1.344 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.106 3.387 4.986 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.727 3.518 6.374 1.00 0.00 C ATOM 1160 C TRP A 74 -8.153 4.898 6.666 1.00 0.00 C ATOM 1161 O TRP A 74 -8.575 5.568 7.620 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.714 2.446 6.724 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.326 2.376 8.159 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -7.967 1.704 9.148 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.180 2.967 8.757 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.289 1.842 10.320 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.189 2.609 10.107 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.150 3.764 8.275 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.204 3.010 10.979 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.168 4.165 9.133 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.199 3.784 10.478 1.00 0.00 C ATOM 0 H TRP A 74 -8.531 2.732 4.456 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.619 3.395 6.987 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.118 1.478 6.427 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.815 2.612 6.130 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.881 1.142 9.024 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.563 1.435 11.214 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.127 4.062 7.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.225 2.723 12.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.359 4.782 8.770 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.408 4.111 11.136 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.233 5.369 5.827 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.575 6.639 6.119 1.00 0.00 C ATOM 1184 C ARG A 75 -7.528 7.788 5.921 1.00 0.00 C ATOM 1185 O ARG A 75 -7.456 8.799 6.626 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.339 6.815 5.288 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.311 5.736 5.521 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.143 5.916 4.613 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.582 6.126 3.231 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.153 7.117 2.437 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -2.260 7.996 2.877 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -3.641 7.250 1.221 1.00 0.00 N ATOM 0 H ARG A 75 -6.934 4.908 4.967 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.269 6.627 7.165 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.615 6.824 4.234 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.895 7.786 5.509 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.978 5.762 6.559 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.760 4.757 5.354 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.549 6.768 4.943 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.499 5.038 4.665 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.263 5.471 2.846 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.895 7.920 3.826 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.939 8.747 2.266 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.348 6.598 0.881 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.312 8.005 0.619 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.460 7.593 5.016 1.00 0.00 N ATOM 1207 CA ALA A 76 -9.491 8.566 4.733 1.00 0.00 C ATOM 1208 C ALA A 76 -10.453 8.691 5.917 1.00 0.00 C ATOM 1209 O ALA A 76 -11.027 9.746 6.159 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.247 8.163 3.474 1.00 0.00 C ATOM 0 H ALA A 76 -8.524 6.747 4.450 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.024 9.537 4.571 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.023 8.899 3.264 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.555 8.116 2.633 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.705 7.185 3.622 1.00 0.00 H new ATOM 1216 N ALA A 77 -10.580 7.614 6.685 1.00 0.00 N ATOM 1217 CA ALA A 77 -11.487 7.577 7.809 1.00 0.00 C ATOM 1218 C ALA A 77 -10.810 8.192 8.995 1.00 0.00 C ATOM 1219 O ALA A 77 -11.415 8.908 9.787 1.00 0.00 O ATOM 1220 CB ALA A 77 -11.905 6.149 8.119 1.00 0.00 C ATOM 0 H ALA A 77 -10.057 6.750 6.541 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.388 8.140 7.565 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.588 6.146 8.969 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.405 5.719 7.251 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.023 5.556 8.360 1.00 0.00 H new ATOM 1226 N ASN A 78 -9.522 7.928 9.082 1.00 0.00 N ATOM 1227 CA ASN A 78 -8.696 8.413 10.155 1.00 0.00 C ATOM 1228 C ASN A 78 -8.422 9.896 10.047 1.00 0.00 C ATOM 1229 O ASN A 78 -8.060 10.538 11.036 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.360 7.678 10.205 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.386 6.300 10.843 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -6.404 5.905 11.457 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.451 5.560 10.692 1.00 0.00 N ATOM 0 H ASN A 78 -9.019 7.363 8.398 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.258 8.224 11.069 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -6.983 7.579 9.187 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.647 8.296 10.750 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.481 4.622 11.092 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.253 5.920 10.174 1.00 0.00 H new ATOM 1240 N GLY A 79 -8.574 10.431 8.865 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.275 11.824 8.652 1.00 0.00 C ATOM 1242 C GLY A 79 -6.802 12.017 8.414 1.00 0.00 C ATOM 1243 O GLY A 79 -6.212 13.003 8.834 1.00 0.00 O ATOM 0 H GLY A 79 -8.901 9.929 8.039 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.839 12.196 7.797 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.589 12.406 9.519 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.223 11.050 7.757 1.00 0.00 N ATOM 1248 CA LYS A 80 -4.835 11.029 7.439 1.00 0.00 C ATOM 1249 C LYS A 80 -4.616 11.499 6.018 1.00 0.00 C ATOM 1250 O LYS A 80 -5.544 12.014 5.377 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.322 9.611 7.628 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.088 9.234 9.079 1.00 0.00 C ATOM 1253 CD LYS A 80 -3.696 7.782 9.198 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.186 7.438 10.596 1.00 0.00 C ATOM 1255 NZ LYS A 80 -4.187 7.605 11.677 1.00 0.00 N ATOM 0 H LYS A 80 -6.728 10.230 7.420 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.288 11.704 8.097 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.038 8.914 7.192 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.389 9.496 7.077 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.304 9.863 9.501 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.992 9.420 9.658 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.555 7.154 8.961 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.923 7.554 8.464 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.838 6.405 10.597 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.323 8.065 10.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.744 7.400 12.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.541 8.583 11.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.979 6.950 11.521 1.00 0.00 H new ATOM 1269 N SER A 81 -3.408 11.332 5.544 1.00 0.00 N ATOM 1270 CA SER A 81 -3.002 11.693 4.224 1.00 0.00 C ATOM 1271 C SER A 81 -3.788 10.894 3.142 1.00 0.00 C ATOM 1272 O SER A 81 -4.575 9.982 3.465 1.00 0.00 O ATOM 1273 CB SER A 81 -1.546 11.353 4.161 1.00 0.00 C ATOM 1274 OG SER A 81 -0.850 11.924 5.261 1.00 0.00 O ATOM 0 H SER A 81 -2.654 10.923 6.096 1.00 0.00 H new ATOM 0 HA SER A 81 -3.197 12.747 4.024 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.419 10.270 4.166 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.122 11.719 3.226 1.00 0.00 H new ATOM 0 HG SER A 81 0.100 11.690 5.204 1.00 0.00 H new ATOM 1280 N GLY A 82 -3.550 11.190 1.880 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.275 10.511 0.834 1.00 0.00 C ATOM 1282 C GLY A 82 -3.355 10.062 -0.253 1.00 0.00 C ATOM 1283 O GLY A 82 -2.227 9.650 0.031 1.00 0.00 O ATOM 0 H GLY A 82 -2.873 11.883 1.561 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.799 9.650 1.250 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.033 11.177 0.421 1.00 0.00 H new ATOM 1287 N PHE A 83 -3.862 10.012 -1.445 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.106 9.784 -2.617 1.00 0.00 C ATOM 1289 C PHE A 83 -3.388 10.946 -3.530 1.00 0.00 C ATOM 1290 O PHE A 83 -4.189 11.831 -3.191 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.575 8.528 -3.341 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.630 7.281 -2.520 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.478 6.716 -2.025 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -4.844 6.668 -2.247 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.530 5.567 -1.277 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -4.895 5.520 -1.503 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.740 4.964 -1.015 1.00 0.00 C ATOM 0 H PHE A 83 -4.858 10.135 -1.626 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.053 9.672 -2.359 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.569 8.716 -3.747 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.913 8.352 -4.189 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.524 7.181 -2.227 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.758 7.101 -2.625 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.619 5.134 -0.892 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.847 5.051 -1.300 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.779 4.058 -0.428 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.768 10.958 -4.655 1.00 0.00 N ATOM 1308 CA LYS A 84 -3.056 11.921 -5.650 1.00 0.00 C ATOM 1309 C LYS A 84 -4.012 11.257 -6.631 1.00 0.00 C ATOM 1310 O LYS A 84 -3.849 10.093 -6.969 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.779 12.324 -6.357 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.907 13.508 -7.297 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.744 13.559 -8.276 1.00 0.00 C ATOM 1314 CE LYS A 84 0.632 13.628 -7.606 1.00 0.00 C ATOM 1315 NZ LYS A 84 0.926 14.927 -6.967 1.00 0.00 N ATOM 0 H LYS A 84 -2.039 10.292 -4.911 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.498 12.819 -5.219 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.025 12.557 -5.606 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.411 11.469 -6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.846 13.440 -7.846 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.941 14.432 -6.720 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.782 12.677 -8.915 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.865 14.427 -8.924 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.698 12.842 -6.854 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.399 13.420 -8.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.918 14.944 -6.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.764 15.694 -7.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.303 15.058 -6.144 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.996 11.958 -7.047 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.988 11.393 -7.952 1.00 0.00 C ATOM 1331 C GLN A 85 -6.108 12.199 -9.228 1.00 0.00 C ATOM 1332 O GLN A 85 -7.134 12.170 -9.908 1.00 0.00 O ATOM 1333 CB GLN A 85 -7.368 11.194 -7.264 1.00 0.00 C ATOM 1334 CG GLN A 85 -7.977 12.429 -6.588 1.00 0.00 C ATOM 1335 CD GLN A 85 -7.309 12.787 -5.267 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -6.878 11.793 -4.521 1.00 0.00 O flip ATOM 1337 NE2 GLN A 85 -7.225 13.958 -4.901 1.00 0.00 N flip ATOM 0 H GLN A 85 -5.159 12.931 -6.789 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.630 10.401 -8.229 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.073 10.831 -8.012 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.266 10.409 -6.514 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.903 13.279 -7.266 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.038 12.252 -6.414 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.569 14.706 -5.503 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.812 14.181 -3.996 1.00 0.00 H new ATOM 1346 N GLY A 86 -5.034 12.852 -9.580 1.00 0.00 N ATOM 1347 CA GLY A 86 -5.006 13.649 -10.764 1.00 0.00 C ATOM 1348 C GLY A 86 -3.771 14.486 -10.798 1.00 0.00 C ATOM 1349 O GLY A 86 -3.799 15.607 -10.242 1.00 0.00 O ATOM 1350 OXT GLY A 86 -2.746 14.036 -11.355 1.00 0.00 O ATOM 0 H GLY A 86 -4.160 12.843 -9.053 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.042 13.006 -11.644 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.888 14.289 -10.800 1.00 0.00 H new