USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 553 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 69 SER OG : rot -73:sc= -2.19! USER MOD Set 1.2: A 70 ASN : amide:sc= -2.42! C(o=-4.6!,f=-7.5!) USER MOD Set 2.1: A 31 THR OG1 : rot 155:sc= -7.13! USER MOD Set 2.2: A 39 GLN : amide:sc= -6.53! C(o=-14!,f=-16!) USER MOD Set 3.1: A 1 GLY N :NH3+ -154:sc= -21.4! (180deg=-14.4!) USER MOD Set 3.2: A 23 ASN :FLIP amide:sc= -19.8! C(o=-45!,f=-41!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 35:sc= 1 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.0546 K(o=-0.055,f=-0.64) USER MOD Single : A 12 ASN : amide:sc= -1.49! C(o=-1.5!,f=-2.9!) USER MOD Single : A 13 ASN : amide:sc= -2.28 K(o=-2.3,f=-3.7!) USER MOD Single : A 18 ASN : amide:sc= -12.9! C(o=-13!,f=-18!) USER MOD Single : A 21 SER OG : rot 34:sc= 0.86 USER MOD Single : A 22 ASN :FLIP amide:sc= -3.8! C(o=-5.6!,f=-3.8!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.0907 X(o=-0.091,f=0) USER MOD Single : A 33 SER OG : rot -0:sc= 0.889 USER MOD Single : A 34 SER OG : rot -37:sc= 0.888 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 150:sc= -6.28! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -137:sc= -2.02 (180deg=-2.73!) USER MOD Single : A 53 THR OG1 : rot -155:sc= -5.56! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.117) USER MOD Single : A 66 ASN :FLIP amide:sc= 0.0458! F(o=-1.2,f=0.046!) USER MOD Single : A 71 SER OG : rot 180:sc= -0.128 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -3.23! C(o=-3.2!,f=-6.3!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -5.01! C(o=-5!,f=-8!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HE2:sc= -4.99! C(o=-5!,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.952 -5.511 3.916 1.00 1.00 N ATOM 2 CA GLY A 1 6.541 -6.395 3.048 1.00 1.00 C ATOM 3 C GLY A 1 6.228 -7.615 3.762 1.00 1.00 C ATOM 4 O GLY A 1 6.970 -8.558 3.646 1.00 1.00 O ATOM 0 H1 GLY A 1 6.767 -4.555 3.552 1.00 1.00 H new ATOM 0 H2 GLY A 1 6.444 -5.644 4.814 1.00 1.00 H new ATOM 0 H3 GLY A 1 7.973 -5.629 4.075 1.00 1.00 H new ATOM 0 HA2 GLY A 1 5.662 -6.028 2.518 1.00 1.00 H new ATOM 0 HA3 GLY A 1 7.311 -6.579 2.299 1.00 1.00 H new ATOM 10 N SER A 2 5.066 -7.669 4.608 1.00 1.00 N ATOM 11 CA SER A 2 4.797 -8.945 5.348 1.00 1.00 C ATOM 12 C SER A 2 3.730 -9.707 4.725 1.00 1.00 C ATOM 13 O SER A 2 3.958 -10.827 4.242 1.00 1.00 O ATOM 14 CB SER A 2 4.483 -8.686 6.812 1.00 1.00 C ATOM 15 OG SER A 2 4.850 -9.821 7.592 1.00 1.00 O ATOM 0 H SER A 2 4.398 -6.913 4.756 1.00 1.00 H new ATOM 0 HA SER A 2 5.709 -9.539 5.299 1.00 1.00 H new ATOM 0 HB2 SER A 2 5.023 -7.805 7.159 1.00 1.00 H new ATOM 0 HB3 SER A 2 3.420 -8.477 6.934 1.00 1.00 H new ATOM 0 HG SER A 2 4.647 -9.649 8.535 1.00 1.00 H new ATOM 21 N GLY A 3 2.605 -9.231 4.775 1.00 1.00 N ATOM 22 CA GLY A 3 1.502 -9.935 4.242 1.00 1.00 C ATOM 23 C GLY A 3 0.407 -9.010 3.928 1.00 1.00 C ATOM 24 O GLY A 3 0.521 -7.834 4.162 1.00 1.00 O ATOM 0 H GLY A 3 2.379 -8.326 5.187 1.00 1.00 H new ATOM 0 HA2 GLY A 3 1.804 -10.469 3.341 1.00 1.00 H new ATOM 0 HA3 GLY A 3 1.160 -10.683 4.957 1.00 1.00 H new ATOM 28 N PRO A 4 -0.666 -9.508 3.399 1.00 1.00 N ATOM 29 CA PRO A 4 -1.828 -8.667 3.042 1.00 1.00 C ATOM 30 C PRO A 4 -2.270 -7.998 4.136 1.00 1.00 C ATOM 31 O PRO A 4 -3.241 -8.407 4.751 1.00 1.00 O ATOM 32 CB PRO A 4 -2.888 -9.661 2.522 1.00 1.00 C ATOM 33 CG PRO A 4 -2.403 -11.010 3.009 1.00 1.00 C ATOM 34 CD PRO A 4 -0.881 -10.903 3.092 1.00 1.00 C ATOM 0 HA PRO A 4 -1.590 -7.910 2.294 1.00 1.00 H new ATOM 0 HB2 PRO A 4 -3.878 -9.429 2.914 1.00 1.00 H new ATOM 0 HB3 PRO A 4 -2.961 -9.633 1.435 1.00 1.00 H new ATOM 0 HG2 PRO A 4 -2.831 -11.251 3.982 1.00 1.00 H new ATOM 0 HG3 PRO A 4 -2.702 -11.803 2.324 1.00 1.00 H new ATOM 0 HD2 PRO A 4 -0.473 -11.553 3.866 1.00 1.00 H new ATOM 0 HD3 PRO A 4 -0.405 -11.187 2.153 1.00 1.00 H new ATOM 42 N THR A 5 -1.638 -6.967 4.464 1.00 1.00 N ATOM 43 CA THR A 5 -1.994 -6.245 5.565 1.00 1.00 C ATOM 44 C THR A 5 -0.898 -5.477 6.094 1.00 1.00 C ATOM 45 O THR A 5 -1.159 -4.660 6.831 1.00 1.00 O ATOM 46 CB THR A 5 -2.456 -7.133 6.784 1.00 1.00 C ATOM 47 OG1 THR A 5 -2.202 -6.428 8.022 1.00 1.00 O ATOM 48 CG2 THR A 5 -1.673 -8.558 6.831 1.00 1.00 C ATOM 0 H THR A 5 -0.836 -6.598 3.953 1.00 1.00 H new ATOM 0 HA THR A 5 -2.808 -5.622 5.193 1.00 1.00 H new ATOM 0 HB THR A 5 -3.521 -7.328 6.659 1.00 1.00 H new ATOM 0 HG1 THR A 5 -2.342 -5.468 7.886 1.00 1.00 H new ATOM 0 HG21 THR A 5 -2.022 -9.137 7.686 1.00 1.00 H new ATOM 0 HG22 THR A 5 -1.870 -9.112 5.913 1.00 1.00 H new ATOM 0 HG23 THR A 5 -0.602 -8.381 6.926 1.00 1.00 H new ATOM 56 N TYR A 6 0.523 -5.935 5.910 1.00 1.00 N ATOM 57 CA TYR A 6 1.560 -5.258 6.694 1.00 1.00 C ATOM 58 C TYR A 6 1.356 -4.047 6.932 1.00 1.00 C ATOM 59 O TYR A 6 1.861 -3.507 7.939 1.00 1.00 O ATOM 60 CB TYR A 6 2.982 -5.396 6.306 1.00 1.00 C ATOM 61 CG TYR A 6 3.865 -5.049 7.762 1.00 1.00 C ATOM 62 CD1 TYR A 6 4.048 -6.057 8.746 1.00 1.00 C ATOM 63 CD2 TYR A 6 4.380 -3.744 8.044 1.00 1.00 C ATOM 64 CE1 TYR A 6 4.731 -5.769 9.940 1.00 1.00 C ATOM 65 CE2 TYR A 6 5.056 -3.487 9.240 1.00 1.00 C ATOM 66 CZ TYR A 6 5.234 -4.491 10.177 1.00 1.00 C ATOM 67 OH TYR A 6 5.904 -4.221 11.356 1.00 1.00 O ATOM 0 H TYR A 6 0.839 -6.678 5.287 1.00 1.00 H new ATOM 0 HA TYR A 6 1.427 -5.867 7.588 1.00 1.00 H new ATOM 0 HB2 TYR A 6 3.198 -6.400 5.940 1.00 1.00 H new ATOM 0 HB3 TYR A 6 3.245 -4.702 5.507 1.00 1.00 H new ATOM 0 HD1 TYR A 6 3.660 -7.050 8.576 1.00 1.00 H new ATOM 0 HD2 TYR A 6 4.245 -2.949 7.325 1.00 1.00 H new ATOM 0 HE1 TYR A 6 4.867 -6.544 10.680 1.00 1.00 H new ATOM 0 HE2 TYR A 6 5.443 -2.498 9.435 1.00 1.00 H new ATOM 0 HH TYR A 6 6.190 -3.284 11.362 1.00 1.00 H new ATOM 77 N CYS A 7 0.594 -3.455 6.146 1.00 1.00 N ATOM 78 CA CYS A 7 0.317 -2.212 6.387 1.00 1.00 C ATOM 79 C CYS A 7 1.441 -1.352 6.586 1.00 1.00 C ATOM 80 O CYS A 7 1.443 -0.531 7.520 1.00 1.00 O ATOM 81 CB CYS A 7 -0.521 -2.153 7.607 1.00 1.00 C ATOM 82 SG CYS A 7 -1.161 -0.403 7.858 1.00 1.00 S ATOM 0 H CYS A 7 0.159 -3.860 5.317 1.00 1.00 H new ATOM 0 HA CYS A 7 -0.184 -1.846 5.491 1.00 1.00 H new ATOM 0 HB2 CYS A 7 -1.357 -2.846 7.518 1.00 1.00 H new ATOM 0 HB3 CYS A 7 0.061 -2.465 8.474 1.00 1.00 H new ATOM 87 N TRP A 8 2.363 -1.453 5.739 1.00 1.00 N ATOM 88 CA TRP A 8 3.503 -0.516 5.823 1.00 1.00 C ATOM 89 C TRP A 8 2.892 0.749 6.269 1.00 1.00 C ATOM 90 O TRP A 8 2.098 1.275 5.513 1.00 1.00 O ATOM 91 CB TRP A 8 4.071 -0.283 4.498 1.00 1.00 C ATOM 92 CG TRP A 8 5.389 0.644 4.647 1.00 1.00 C ATOM 93 CD1 TRP A 8 5.682 1.800 3.917 1.00 1.00 C ATOM 94 CD2 TRP A 8 6.560 0.497 5.611 1.00 1.00 C ATOM 95 NE1 TRP A 8 6.919 2.278 4.299 1.00 1.00 N ATOM 96 CE2 TRP A 8 7.484 1.536 5.350 1.00 1.00 C ATOM 97 CE3 TRP A 8 6.913 -0.444 6.668 1.00 1.00 C ATOM 98 CZ2 TRP A 8 8.676 1.655 6.078 1.00 1.00 C ATOM 99 CZ3 TRP A 8 8.113 -0.290 7.382 1.00 1.00 C ATOM 100 CH2 TRP A 8 8.980 0.752 7.087 1.00 1.00 C ATOM 0 H TRP A 8 2.401 -2.135 4.982 1.00 1.00 H new ATOM 0 HA TRP A 8 4.289 -0.895 6.476 1.00 1.00 H new ATOM 0 HB2 TRP A 8 4.329 -1.231 4.027 1.00 1.00 H new ATOM 0 HB3 TRP A 8 3.339 0.204 3.854 1.00 1.00 H new ATOM 0 HD1 TRP A 8 5.041 2.248 3.172 1.00 1.00 H new ATOM 0 HE1 TRP A 8 7.373 3.082 3.866 1.00 1.00 H new ATOM 0 HE3 TRP A 8 6.249 -1.263 6.903 1.00 1.00 H new ATOM 0 HZ2 TRP A 8 9.364 2.456 5.852 1.00 1.00 H new ATOM 0 HZ3 TRP A 8 8.363 -0.989 8.167 1.00 1.00 H new ATOM 0 HH2 TRP A 8 9.897 0.861 7.646 1.00 1.00 H new ATOM 111 N ASN A 9 3.091 1.227 7.533 1.00 1.00 N ATOM 112 CA ASN A 9 2.360 2.391 7.980 1.00 1.00 C ATOM 113 C ASN A 9 1.955 3.255 6.907 1.00 1.00 C ATOM 114 O ASN A 9 0.773 3.573 6.761 1.00 1.00 O ATOM 115 CB ASN A 9 3.161 3.166 9.060 1.00 1.00 C ATOM 116 CG ASN A 9 3.345 2.287 10.301 1.00 1.00 C ATOM 117 OD1 ASN A 9 2.402 1.636 10.747 1.00 1.00 O ATOM 118 ND2 ASN A 9 4.517 2.230 10.886 1.00 1.00 N ATOM 0 H ASN A 9 3.732 0.824 8.217 1.00 1.00 H new ATOM 0 HA ASN A 9 1.438 2.022 8.429 1.00 1.00 H new ATOM 0 HB2 ASN A 9 4.133 3.460 8.664 1.00 1.00 H new ATOM 0 HB3 ASN A 9 2.636 4.083 9.327 1.00 1.00 H new ATOM 0 HD21 ASN A 9 4.647 1.645 11.712 1.00 1.00 H new ATOM 0 HD22 ASN A 9 5.299 2.770 10.515 1.00 1.00 H new ATOM 125 N GLU A 10 2.872 3.649 6.155 1.00 1.00 N ATOM 126 CA GLU A 10 2.608 4.493 5.081 1.00 1.00 C ATOM 127 C GLU A 10 1.838 5.621 5.563 1.00 1.00 C ATOM 128 O GLU A 10 0.611 5.660 5.364 1.00 1.00 O ATOM 129 CB GLU A 10 1.725 3.814 3.967 1.00 1.00 C ATOM 130 CG GLU A 10 2.523 3.019 3.123 1.00 1.00 C ATOM 131 CD GLU A 10 1.667 2.388 2.038 1.00 1.00 C ATOM 132 OE1 GLU A 10 0.749 3.046 1.588 1.00 1.00 O ATOM 133 OE2 GLU A 10 1.942 1.255 1.671 1.00 1.00 O ATOM 0 H GLU A 10 3.853 3.393 6.264 1.00 1.00 H new ATOM 0 HA GLU A 10 3.573 4.770 4.656 1.00 1.00 H new ATOM 0 HB2 GLU A 10 0.952 3.201 4.431 1.00 1.00 H new ATOM 0 HB3 GLU A 10 1.216 4.579 3.381 1.00 1.00 H new ATOM 0 HG2 GLU A 10 3.306 3.627 2.671 1.00 1.00 H new ATOM 0 HG3 GLU A 10 3.019 2.241 3.704 1.00 1.00 H new ATOM 140 N ALA A 11 2.431 6.537 6.097 1.00 1.00 N ATOM 141 CA ALA A 11 1.805 7.660 6.511 1.00 1.00 C ATOM 142 C ALA A 11 2.918 8.359 7.207 1.00 1.00 C ATOM 143 O ALA A 11 3.349 7.895 8.250 1.00 1.00 O ATOM 144 CB ALA A 11 0.651 7.401 7.425 1.00 1.00 C ATOM 0 H ALA A 11 3.436 6.532 6.273 1.00 1.00 H new ATOM 0 HA ALA A 11 1.343 8.222 5.699 1.00 1.00 H new ATOM 0 HB1 ALA A 11 0.198 8.349 7.716 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -0.089 6.787 6.912 1.00 1.00 H new ATOM 0 HB3 ALA A 11 1.002 6.878 8.315 1.00 1.00 H new ATOM 150 N ASN A 12 3.350 9.422 6.673 1.00 1.00 N ATOM 151 CA ASN A 12 4.482 10.254 7.245 1.00 1.00 C ATOM 152 C ASN A 12 5.339 10.960 6.039 1.00 1.00 C ATOM 153 O ASN A 12 6.560 11.074 6.105 1.00 1.00 O ATOM 154 CB ASN A 12 5.413 9.364 8.136 1.00 1.00 C ATOM 155 CG ASN A 12 6.798 9.984 8.316 1.00 1.00 C ATOM 156 OD1 ASN A 12 7.808 9.342 8.033 1.00 1.00 O ATOM 157 ND2 ASN A 12 6.902 11.201 8.776 1.00 1.00 N ATOM 0 H ASN A 12 2.965 9.803 5.809 1.00 1.00 H new ATOM 0 HA ASN A 12 4.057 11.041 7.868 1.00 1.00 H new ATOM 0 HB2 ASN A 12 4.951 9.220 9.113 1.00 1.00 H new ATOM 0 HB3 ASN A 12 5.514 8.378 7.683 1.00 1.00 H new ATOM 0 HD21 ASN A 12 7.823 11.622 8.902 1.00 1.00 H new ATOM 0 HD22 ASN A 12 6.063 11.731 9.010 1.00 1.00 H new ATOM 164 N ASN A 13 4.618 11.525 5.032 1.00 1.00 N ATOM 165 CA ASN A 13 5.240 12.289 3.970 1.00 1.00 C ATOM 166 C ASN A 13 4.183 12.710 2.877 1.00 1.00 C ATOM 167 O ASN A 13 3.119 12.108 2.770 1.00 1.00 O ATOM 168 CB ASN A 13 6.382 11.519 3.298 1.00 1.00 C ATOM 169 CG ASN A 13 7.657 12.387 3.170 1.00 1.00 C ATOM 170 OD1 ASN A 13 8.054 12.750 2.062 1.00 1.00 O ATOM 171 ND2 ASN A 13 8.311 12.728 4.244 1.00 1.00 N ATOM 0 H ASN A 13 3.604 11.452 4.954 1.00 1.00 H new ATOM 0 HA ASN A 13 5.655 13.183 4.436 1.00 1.00 H new ATOM 0 HB2 ASN A 13 6.608 10.623 3.877 1.00 1.00 H new ATOM 0 HB3 ASN A 13 6.066 11.188 2.309 1.00 1.00 H new ATOM 0 HD21 ASN A 13 9.154 13.297 4.169 1.00 1.00 H new ATOM 0 HD22 ASN A 13 7.980 12.426 5.160 1.00 1.00 H new ATOM 178 N PRO A 14 4.511 13.731 2.062 1.00 1.00 N ATOM 179 CA PRO A 14 3.635 14.228 0.950 1.00 1.00 C ATOM 180 C PRO A 14 3.908 13.521 -0.418 1.00 1.00 C ATOM 181 O PRO A 14 2.984 13.295 -1.198 1.00 1.00 O ATOM 182 CB PRO A 14 3.974 15.737 0.870 1.00 1.00 C ATOM 183 CG PRO A 14 5.123 15.920 1.843 1.00 1.00 C ATOM 184 CD PRO A 14 5.681 14.516 2.123 1.00 1.00 C ATOM 0 HA PRO A 14 2.583 14.022 1.149 1.00 1.00 H new ATOM 0 HB2 PRO A 14 4.260 16.026 -0.141 1.00 1.00 H new ATOM 0 HB3 PRO A 14 3.117 16.352 1.147 1.00 1.00 H new ATOM 0 HG2 PRO A 14 5.892 16.566 1.419 1.00 1.00 H new ATOM 0 HG3 PRO A 14 4.781 16.393 2.764 1.00 1.00 H new ATOM 0 HD2 PRO A 14 6.418 14.212 1.380 1.00 1.00 H new ATOM 0 HD3 PRO A 14 6.166 14.454 3.097 1.00 1.00 H new ATOM 192 N GLY A 15 5.133 13.161 -0.661 1.00 1.00 N ATOM 193 CA GLY A 15 5.487 12.438 -1.933 1.00 1.00 C ATOM 194 C GLY A 15 4.615 11.255 -2.021 1.00 1.00 C ATOM 195 O GLY A 15 3.951 10.964 -3.009 1.00 1.00 O ATOM 0 H GLY A 15 5.919 13.333 -0.034 1.00 1.00 H new ATOM 0 HA2 GLY A 15 5.343 13.087 -2.797 1.00 1.00 H new ATOM 0 HA3 GLY A 15 6.536 12.143 -1.928 1.00 1.00 H new ATOM 199 N GLY A 16 4.654 10.649 -0.992 1.00 1.00 N ATOM 200 CA GLY A 16 3.943 9.467 -0.707 1.00 1.00 C ATOM 201 C GLY A 16 3.744 9.444 0.716 1.00 1.00 C ATOM 202 O GLY A 16 3.897 10.463 1.356 1.00 1.00 O ATOM 0 H GLY A 16 5.230 10.956 -0.208 1.00 1.00 H new ATOM 0 HA2 GLY A 16 2.988 9.452 -1.233 1.00 1.00 H new ATOM 0 HA3 GLY A 16 4.501 8.590 -1.035 1.00 1.00 H new ATOM 206 N PRO A 17 3.421 8.351 1.294 1.00 1.00 N ATOM 207 CA PRO A 17 3.215 8.289 2.775 1.00 1.00 C ATOM 208 C PRO A 17 4.517 8.448 3.327 1.00 1.00 C ATOM 209 O PRO A 17 5.290 9.144 2.738 1.00 1.00 O ATOM 210 CB PRO A 17 2.701 6.851 2.895 1.00 1.00 C ATOM 211 CG PRO A 17 2.215 6.528 1.582 1.00 1.00 C ATOM 212 CD PRO A 17 3.208 7.094 0.699 1.00 1.00 C ATOM 0 HA PRO A 17 2.556 9.011 3.256 1.00 1.00 H new ATOM 0 HB2 PRO A 17 3.495 6.171 3.202 1.00 1.00 H new ATOM 0 HB3 PRO A 17 1.910 6.774 3.641 1.00 1.00 H new ATOM 0 HG2 PRO A 17 2.123 5.451 1.443 1.00 1.00 H new ATOM 0 HG3 PRO A 17 1.229 6.957 1.403 1.00 1.00 H new ATOM 0 HD2 PRO A 17 4.118 6.495 0.666 1.00 1.00 H new ATOM 0 HD3 PRO A 17 2.846 7.180 -0.326 1.00 1.00 H new ATOM 220 N ASN A 18 4.871 7.760 4.504 1.00 1.00 N ATOM 221 CA ASN A 18 6.262 7.856 5.004 1.00 1.00 C ATOM 222 C ASN A 18 7.214 7.807 3.780 1.00 1.00 C ATOM 223 O ASN A 18 8.435 7.886 3.911 1.00 1.00 O ATOM 224 CB ASN A 18 6.660 6.607 5.963 1.00 1.00 C ATOM 225 CG ASN A 18 5.462 5.832 6.421 1.00 1.00 C ATOM 226 OD1 ASN A 18 4.584 6.370 7.018 1.00 1.00 O ATOM 227 ND2 ASN A 18 5.407 4.559 6.193 1.00 1.00 N ATOM 0 H ASN A 18 4.240 7.184 5.062 1.00 1.00 H new ATOM 0 HA ASN A 18 6.348 8.780 5.576 1.00 1.00 H new ATOM 0 HB2 ASN A 18 7.336 5.942 5.426 1.00 1.00 H new ATOM 0 HB3 ASN A 18 7.203 6.979 6.832 1.00 1.00 H new ATOM 0 HD21 ASN A 18 4.610 4.015 6.525 1.00 1.00 H new ATOM 0 HD22 ASN A 18 6.160 4.100 5.681 1.00 1.00 H new ATOM 234 N ARG A 19 6.536 7.573 2.568 1.00 1.00 N ATOM 235 CA ARG A 19 7.114 7.418 1.353 1.00 1.00 C ATOM 236 C ARG A 19 7.497 6.158 1.366 1.00 1.00 C ATOM 237 O ARG A 19 8.496 5.847 1.931 1.00 1.00 O ATOM 238 CB ARG A 19 8.242 8.495 1.076 1.00 1.00 C ATOM 239 CG ARG A 19 7.582 9.688 0.339 1.00 1.00 C ATOM 240 CD ARG A 19 7.620 9.460 -1.233 1.00 1.00 C ATOM 241 NE ARG A 19 8.696 10.248 -1.824 1.00 1.00 N ATOM 242 CZ ARG A 19 8.719 10.497 -3.124 1.00 1.00 C ATOM 243 NH1 ARG A 19 7.769 10.040 -3.885 1.00 1.00 N ATOM 244 NH2 ARG A 19 9.688 11.205 -3.638 1.00 1.00 N ATOM 0 H ARG A 19 5.519 7.502 2.527 1.00 1.00 H new ATOM 0 HA ARG A 19 6.450 7.605 0.509 1.00 1.00 H new ATOM 0 HB2 ARG A 19 8.693 8.826 2.011 1.00 1.00 H new ATOM 0 HB3 ARG A 19 9.041 8.066 0.471 1.00 1.00 H new ATOM 0 HG2 ARG A 19 6.550 9.802 0.671 1.00 1.00 H new ATOM 0 HG3 ARG A 19 8.102 10.612 0.591 1.00 1.00 H new ATOM 0 HD2 ARG A 19 7.769 8.403 -1.452 1.00 1.00 H new ATOM 0 HD3 ARG A 19 6.665 9.745 -1.674 1.00 1.00 H new ATOM 0 HE ARG A 19 9.440 10.612 -1.228 1.00 1.00 H new ATOM 0 HH11 ARG A 19 7.010 9.492 -3.480 1.00 1.00 H new ATOM 0 HH12 ARG A 19 7.783 10.229 -4.887 1.00 1.00 H new ATOM 0 HH21 ARG A 19 10.429 11.567 -3.038 1.00 1.00 H new ATOM 0 HH22 ARG A 19 9.704 11.396 -4.640 1.00 1.00 H new ATOM 258 N CYS A 20 6.518 5.233 0.675 1.00 1.00 N ATOM 259 CA CYS A 20 6.693 3.743 0.591 1.00 1.00 C ATOM 260 C CYS A 20 8.152 3.669 1.067 1.00 1.00 C ATOM 261 O CYS A 20 9.007 4.312 0.453 1.00 1.00 O ATOM 262 CB CYS A 20 6.417 3.291 -0.908 1.00 1.00 C ATOM 263 SG CYS A 20 6.463 1.384 -1.284 1.00 1.00 S ATOM 0 H CYS A 20 5.669 5.567 0.218 1.00 1.00 H new ATOM 0 HA CYS A 20 6.037 3.088 1.165 1.00 1.00 H new ATOM 0 HB2 CYS A 20 5.437 3.669 -1.200 1.00 1.00 H new ATOM 0 HB3 CYS A 20 7.151 3.779 -1.549 1.00 1.00 H new ATOM 268 N SER A 21 8.423 3.045 2.153 1.00 1.00 N ATOM 269 CA SER A 21 9.855 3.129 2.728 1.00 1.00 C ATOM 270 C SER A 21 10.540 1.827 3.184 1.00 1.00 C ATOM 271 O SER A 21 11.601 1.892 3.771 1.00 1.00 O ATOM 272 CB SER A 21 9.783 4.135 3.878 1.00 1.00 C ATOM 273 OG SER A 21 10.818 3.863 4.827 1.00 1.00 O ATOM 0 H SER A 21 7.764 2.481 2.690 1.00 1.00 H new ATOM 0 HA SER A 21 10.502 3.425 1.902 1.00 1.00 H new ATOM 0 HB2 SER A 21 9.888 5.149 3.493 1.00 1.00 H new ATOM 0 HB3 SER A 21 8.808 4.077 4.363 1.00 1.00 H new ATOM 0 HG SER A 21 11.612 3.530 4.359 1.00 1.00 H new ATOM 279 N ASN A 22 10.009 0.718 2.869 1.00 1.00 N ATOM 280 CA ASN A 22 10.696 -0.603 3.223 1.00 1.00 C ATOM 281 C ASN A 22 10.149 -1.641 2.434 1.00 1.00 C ATOM 282 O ASN A 22 9.175 -1.463 1.786 1.00 1.00 O ATOM 283 CB ASN A 22 10.524 -0.960 4.706 1.00 1.00 C ATOM 284 CG ASN A 22 11.670 -0.381 5.577 1.00 1.00 C ATOM 285 OD1 ASN A 22 12.691 0.219 5.016 1.00 1.00 O flip ATOM 286 ND2 ASN A 22 11.629 -0.498 6.801 1.00 1.00 N flip ATOM 0 H ASN A 22 9.121 0.622 2.376 1.00 1.00 H new ATOM 0 HA ASN A 22 11.761 -0.487 3.024 1.00 1.00 H new ATOM 0 HB2 ASN A 22 9.568 -0.577 5.063 1.00 1.00 H new ATOM 0 HB3 ASN A 22 10.495 -2.044 4.818 1.00 1.00 H new ATOM 0 HD21 ASN A 22 10.836 -0.964 7.242 1.00 1.00 H new ATOM 0 HD22 ASN A 22 12.388 -0.129 7.374 1.00 1.00 H new ATOM 293 N ASN A 23 10.755 -2.827 2.519 1.00 1.00 N ATOM 294 CA ASN A 23 10.235 -3.898 1.804 1.00 1.00 C ATOM 295 C ASN A 23 9.921 -3.487 0.351 1.00 1.00 C ATOM 296 O ASN A 23 8.855 -3.618 -0.086 1.00 1.00 O ATOM 297 CB ASN A 23 8.926 -4.400 2.604 1.00 1.00 C ATOM 298 CG ASN A 23 8.617 -3.532 3.869 1.00 1.00 C ATOM 299 OD1 ASN A 23 8.775 -4.040 5.054 1.00 1.00 O flip ATOM 300 ND2 ASN A 23 8.232 -2.456 3.766 1.00 1.00 N flip ATOM 0 H ASN A 23 11.587 -3.027 3.075 1.00 1.00 H new ATOM 0 HA ASN A 23 10.954 -4.714 1.727 1.00 1.00 H new ATOM 0 HB2 ASN A 23 8.066 -4.377 1.935 1.00 1.00 H new ATOM 0 HB3 ASN A 23 9.067 -5.438 2.907 1.00 1.00 H new ATOM 0 HD21 ASN A 23 8.104 -2.047 2.841 1.00 1.00 H new ATOM 0 HD22 ASN A 23 8.018 -1.909 4.600 1.00 1.00 H new ATOM 307 N LYS A 24 10.943 -2.861 -0.309 1.00 1.00 N ATOM 308 CA LYS A 24 10.844 -2.276 -1.678 1.00 1.00 C ATOM 309 C LYS A 24 10.291 -0.933 -1.573 1.00 1.00 C ATOM 310 O LYS A 24 10.216 -0.233 -2.552 1.00 1.00 O ATOM 311 CB LYS A 24 10.036 -3.090 -2.675 1.00 1.00 C ATOM 312 CG LYS A 24 10.718 -4.388 -3.020 1.00 1.00 C ATOM 313 CD LYS A 24 9.722 -5.299 -3.907 1.00 1.00 C ATOM 314 CE LYS A 24 10.358 -5.648 -5.293 1.00 1.00 C ATOM 315 NZ LYS A 24 10.228 -4.479 -6.212 1.00 1.00 N ATOM 0 H LYS A 24 11.869 -2.749 0.103 1.00 1.00 H new ATOM 0 HA LYS A 24 11.858 -2.269 -2.078 1.00 1.00 H new ATOM 0 HB2 LYS A 24 9.049 -3.297 -2.261 1.00 1.00 H new ATOM 0 HB3 LYS A 24 9.885 -2.506 -3.583 1.00 1.00 H new ATOM 0 HG2 LYS A 24 11.638 -4.193 -3.571 1.00 1.00 H new ATOM 0 HG3 LYS A 24 10.998 -4.917 -2.109 1.00 1.00 H new ATOM 0 HD2 LYS A 24 9.489 -6.218 -3.369 1.00 1.00 H new ATOM 0 HD3 LYS A 24 8.780 -4.771 -4.059 1.00 1.00 H new ATOM 0 HE2 LYS A 24 11.409 -5.909 -5.167 1.00 1.00 H new ATOM 0 HE3 LYS A 24 9.863 -6.518 -5.723 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 10.651 -4.713 -7.133 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 9.222 -4.249 -6.342 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 10.720 -3.659 -5.803 1.00 1.00 H new ATOM 329 N GLN A 25 9.921 -0.589 -0.329 1.00 1.00 N ATOM 330 CA GLN A 25 9.369 0.658 0.051 1.00 1.00 C ATOM 331 C GLN A 25 8.038 0.473 0.590 1.00 1.00 C ATOM 332 O GLN A 25 7.561 1.332 1.168 1.00 1.00 O ATOM 333 CB GLN A 25 9.381 1.723 -1.053 1.00 1.00 C ATOM 334 CG GLN A 25 10.753 2.350 -1.126 1.00 1.00 C ATOM 335 CD GLN A 25 11.060 2.844 -2.550 1.00 1.00 C ATOM 336 OE1 GLN A 25 12.194 2.738 -3.015 1.00 1.00 O ATOM 337 NE2 GLN A 25 10.107 3.380 -3.266 1.00 1.00 N ATOM 0 H GLN A 25 10.017 -1.230 0.459 1.00 1.00 H new ATOM 0 HA GLN A 25 10.025 1.054 0.826 1.00 1.00 H new ATOM 0 HB2 GLN A 25 9.123 1.273 -2.011 1.00 1.00 H new ATOM 0 HB3 GLN A 25 8.630 2.486 -0.847 1.00 1.00 H new ATOM 0 HG2 GLN A 25 10.813 3.184 -0.427 1.00 1.00 H new ATOM 0 HG3 GLN A 25 11.505 1.623 -0.820 1.00 1.00 H new ATOM 0 HE21 GLN A 25 9.167 3.468 -2.880 1.00 1.00 H new ATOM 0 HE22 GLN A 25 10.303 3.711 -4.211 1.00 1.00 H new ATOM 346 N CYS A 26 7.390 -0.648 0.446 1.00 1.00 N ATOM 347 CA CYS A 26 6.012 -0.718 1.080 1.00 1.00 C ATOM 348 C CYS A 26 6.001 -1.545 2.404 1.00 1.00 C ATOM 349 O CYS A 26 6.664 -1.177 3.301 1.00 1.00 O ATOM 350 CB CYS A 26 4.967 -1.091 -0.008 1.00 1.00 C ATOM 351 SG CYS A 26 4.617 0.514 -1.014 1.00 1.00 S ATOM 0 H CYS A 26 7.714 -1.480 -0.048 1.00 1.00 H new ATOM 0 HA CYS A 26 5.703 0.262 1.445 1.00 1.00 H new ATOM 0 HB2 CYS A 26 5.349 -1.879 -0.657 1.00 1.00 H new ATOM 0 HB3 CYS A 26 4.052 -1.469 0.448 1.00 1.00 H new ATOM 356 N ASP A 27 5.216 -2.563 2.448 1.00 1.00 N ATOM 357 CA ASP A 27 4.974 -3.440 3.486 1.00 1.00 C ATOM 358 C ASP A 27 3.675 -3.877 3.209 1.00 1.00 C ATOM 359 O ASP A 27 2.808 -3.097 2.810 1.00 1.00 O ATOM 360 CB ASP A 27 5.220 -2.937 4.920 1.00 1.00 C ATOM 361 CG ASP A 27 5.932 -4.000 5.788 1.00 1.00 C ATOM 362 OD1 ASP A 27 5.518 -5.140 5.754 1.00 1.00 O ATOM 363 OD2 ASP A 27 6.873 -3.639 6.477 1.00 1.00 O ATOM 0 H ASP A 27 4.662 -2.814 1.629 1.00 1.00 H new ATOM 0 HA ASP A 27 5.709 -4.244 3.509 1.00 1.00 H new ATOM 0 HB2 ASP A 27 5.824 -2.030 4.888 1.00 1.00 H new ATOM 0 HB3 ASP A 27 4.268 -2.671 5.380 1.00 1.00 H new ATOM 368 N GLY A 28 3.512 -5.146 3.277 1.00 1.00 N ATOM 369 CA GLY A 28 2.367 -5.771 2.916 1.00 1.00 C ATOM 370 C GLY A 28 2.735 -7.153 2.125 1.00 1.00 C ATOM 371 O GLY A 28 1.971 -7.653 1.465 1.00 1.00 O ATOM 0 H GLY A 28 4.236 -5.782 3.610 1.00 1.00 H new ATOM 0 HA2 GLY A 28 1.766 -5.992 3.798 1.00 1.00 H new ATOM 0 HA3 GLY A 28 1.769 -5.121 2.277 1.00 1.00 H new ATOM 375 N ALA A 29 3.979 -7.701 2.366 1.00 1.00 N ATOM 376 CA ALA A 29 4.471 -9.022 1.788 1.00 1.00 C ATOM 377 C ALA A 29 5.894 -9.000 1.310 1.00 1.00 C ATOM 378 O ALA A 29 6.528 -10.048 1.288 1.00 1.00 O ATOM 379 CB ALA A 29 3.517 -9.613 0.678 1.00 1.00 C ATOM 0 H ALA A 29 4.670 -7.246 2.963 1.00 1.00 H new ATOM 0 HA ALA A 29 4.444 -9.697 2.643 1.00 1.00 H new ATOM 0 HB1 ALA A 29 3.927 -10.553 0.309 1.00 1.00 H new ATOM 0 HB2 ALA A 29 2.529 -9.789 1.104 1.00 1.00 H new ATOM 0 HB3 ALA A 29 3.436 -8.905 -0.147 1.00 1.00 H new ATOM 385 N ARG A 30 6.400 -7.869 0.820 1.00 1.00 N ATOM 386 CA ARG A 30 7.793 -7.900 0.229 1.00 1.00 C ATOM 387 C ARG A 30 8.830 -8.771 1.136 1.00 1.00 C ATOM 388 O ARG A 30 8.534 -9.288 2.186 1.00 1.00 O ATOM 389 CB ARG A 30 8.420 -6.370 -0.219 1.00 1.00 C ATOM 390 CG ARG A 30 7.527 -5.694 -1.205 1.00 1.00 C ATOM 391 CD ARG A 30 6.508 -4.612 -0.623 1.00 1.00 C ATOM 392 NE ARG A 30 6.870 -3.304 -1.163 1.00 1.00 N ATOM 393 CZ ARG A 30 6.642 -2.982 -2.475 1.00 1.00 C ATOM 394 NH1 ARG A 30 6.071 -3.827 -3.258 1.00 1.00 N ATOM 395 NH2 ARG A 30 6.979 -1.804 -2.929 1.00 1.00 N ATOM 0 H ARG A 30 5.928 -6.965 0.805 1.00 1.00 H new ATOM 0 HA ARG A 30 7.680 -8.425 -0.720 1.00 1.00 H new ATOM 0 HB2 ARG A 30 8.529 -5.744 0.667 1.00 1.00 H new ATOM 0 HB3 ARG A 30 9.415 -6.492 -0.648 1.00 1.00 H new ATOM 0 HG2 ARG A 30 8.153 -5.205 -1.952 1.00 1.00 H new ATOM 0 HG3 ARG A 30 6.951 -6.460 -1.724 1.00 1.00 H new ATOM 0 HD2 ARG A 30 5.485 -4.867 -0.899 1.00 1.00 H new ATOM 0 HD3 ARG A 30 6.550 -4.598 0.466 1.00 1.00 H new ATOM 0 HE ARG A 30 7.303 -2.614 -0.549 1.00 1.00 H new ATOM 0 HH11 ARG A 30 5.786 -4.740 -2.903 1.00 1.00 H new ATOM 0 HH12 ARG A 30 5.903 -3.584 -4.234 1.00 1.00 H new ATOM 0 HH21 ARG A 30 7.413 -1.122 -2.306 1.00 1.00 H new ATOM 0 HH22 ARG A 30 6.808 -1.566 -3.906 1.00 1.00 H new ATOM 409 N THR A 31 9.903 -8.920 0.568 1.00 1.00 N ATOM 410 CA THR A 31 10.961 -9.664 0.973 1.00 1.00 C ATOM 411 C THR A 31 12.185 -8.975 0.782 1.00 1.00 C ATOM 412 O THR A 31 12.310 -8.459 -0.156 1.00 1.00 O ATOM 413 CB THR A 31 10.954 -10.819 -0.102 1.00 1.00 C ATOM 414 OG1 THR A 31 11.276 -10.367 -1.370 1.00 1.00 O ATOM 415 CG2 THR A 31 9.557 -11.426 -0.135 1.00 1.00 C ATOM 0 H THR A 31 10.091 -8.457 -0.321 1.00 1.00 H new ATOM 0 HA THR A 31 10.887 -9.949 2.022 1.00 1.00 H new ATOM 0 HB THR A 31 11.709 -11.552 0.183 1.00 1.00 H new ATOM 0 HG1 THR A 31 11.639 -11.108 -1.899 1.00 1.00 H new ATOM 0 HG21 THR A 31 9.526 -12.228 -0.872 1.00 1.00 H new ATOM 0 HG22 THR A 31 9.311 -11.827 0.848 1.00 1.00 H new ATOM 0 HG23 THR A 31 8.833 -10.658 -0.405 1.00 1.00 H new ATOM 423 N CYS A 32 13.093 -8.888 1.668 1.00 1.00 N ATOM 424 CA CYS A 32 14.377 -8.012 1.285 1.00 1.00 C ATOM 425 C CYS A 32 15.296 -8.767 0.415 1.00 1.00 C ATOM 426 O CYS A 32 15.003 -9.850 -0.053 1.00 1.00 O ATOM 427 CB CYS A 32 15.110 -7.296 2.571 1.00 1.00 C ATOM 428 SG CYS A 32 16.466 -6.202 2.084 1.00 1.00 S ATOM 0 H CYS A 32 13.086 -9.318 2.593 1.00 1.00 H new ATOM 0 HA CYS A 32 14.015 -7.166 0.701 1.00 1.00 H new ATOM 0 HB2 CYS A 32 14.371 -6.724 3.133 1.00 1.00 H new ATOM 0 HB3 CYS A 32 15.493 -8.066 3.241 1.00 1.00 H new ATOM 433 N SER A 33 16.383 -8.203 0.241 1.00 1.00 N ATOM 434 CA SER A 33 17.462 -8.885 -0.622 1.00 1.00 C ATOM 435 C SER A 33 18.117 -9.944 0.173 1.00 1.00 C ATOM 436 O SER A 33 18.989 -10.690 -0.272 1.00 1.00 O ATOM 437 CB SER A 33 18.360 -7.964 -1.248 1.00 1.00 C ATOM 438 OG SER A 33 19.429 -8.676 -1.860 1.00 1.00 O ATOM 0 H SER A 33 16.641 -7.296 0.629 1.00 1.00 H new ATOM 0 HA SER A 33 16.983 -9.363 -1.476 1.00 1.00 H new ATOM 0 HB2 SER A 33 17.829 -7.374 -1.995 1.00 1.00 H new ATOM 0 HB3 SER A 33 18.752 -7.265 -0.509 1.00 1.00 H new ATOM 0 HG SER A 33 19.311 -9.637 -1.708 1.00 1.00 H new ATOM 444 N SER A 34 17.599 -10.032 1.256 1.00 1.00 N ATOM 445 CA SER A 34 17.832 -10.967 2.274 1.00 1.00 C ATOM 446 C SER A 34 16.368 -11.570 2.661 1.00 1.00 C ATOM 447 O SER A 34 16.231 -12.243 3.682 1.00 1.00 O ATOM 448 CB SER A 34 18.422 -10.264 3.433 1.00 1.00 C ATOM 449 OG SER A 34 18.561 -11.169 4.525 1.00 1.00 O ATOM 0 H SER A 34 16.881 -9.363 1.535 1.00 1.00 H new ATOM 0 HA SER A 34 18.515 -11.760 1.971 1.00 1.00 H new ATOM 0 HB2 SER A 34 19.395 -9.852 3.164 1.00 1.00 H new ATOM 0 HB3 SER A 34 17.789 -9.425 3.722 1.00 1.00 H new ATOM 0 HG SER A 34 17.800 -11.786 4.538 1.00 1.00 H new ATOM 455 N SER A 35 15.262 -11.300 1.749 1.00 1.00 N ATOM 456 CA SER A 35 13.993 -11.757 1.933 1.00 1.00 C ATOM 457 C SER A 35 13.400 -11.149 3.081 1.00 1.00 C ATOM 458 O SER A 35 12.216 -11.323 3.370 1.00 1.00 O ATOM 459 CB SER A 35 13.967 -13.203 2.065 1.00 1.00 C ATOM 460 OG SER A 35 14.743 -13.793 1.030 1.00 1.00 O ATOM 0 H SER A 35 15.370 -10.743 0.902 1.00 1.00 H new ATOM 0 HA SER A 35 13.413 -11.485 1.051 1.00 1.00 H new ATOM 0 HB2 SER A 35 14.359 -13.496 3.039 1.00 1.00 H new ATOM 0 HB3 SER A 35 12.940 -13.564 2.013 1.00 1.00 H new ATOM 0 HG SER A 35 14.725 -14.768 1.123 1.00 1.00 H new ATOM 466 N GLY A 36 14.234 -10.436 3.778 1.00 1.00 N ATOM 467 CA GLY A 36 13.835 -9.783 4.947 1.00 1.00 C ATOM 468 C GLY A 36 12.559 -9.128 4.688 1.00 1.00 C ATOM 469 O GLY A 36 11.532 -9.565 5.174 1.00 1.00 O ATOM 0 H GLY A 36 15.215 -10.302 3.532 1.00 1.00 H new ATOM 0 HA2 GLY A 36 13.738 -10.495 5.766 1.00 1.00 H new ATOM 0 HA3 GLY A 36 14.584 -9.051 5.248 1.00 1.00 H new ATOM 473 N PHE A 37 12.617 -8.101 3.914 1.00 1.00 N ATOM 474 CA PHE A 37 11.540 -7.391 3.568 1.00 1.00 C ATOM 475 C PHE A 37 12.047 -6.156 2.838 1.00 1.00 C ATOM 476 O PHE A 37 12.175 -5.119 3.451 1.00 1.00 O ATOM 477 CB PHE A 37 10.665 -6.966 4.888 1.00 1.00 C ATOM 478 CG PHE A 37 11.545 -6.265 5.958 1.00 1.00 C ATOM 479 CD1 PHE A 37 12.228 -7.022 6.926 1.00 1.00 C ATOM 480 CD2 PHE A 37 11.663 -4.848 5.971 1.00 1.00 C ATOM 481 CE1 PHE A 37 13.017 -6.381 7.884 1.00 1.00 C ATOM 482 CE2 PHE A 37 12.454 -4.224 6.935 1.00 1.00 C ATOM 483 CZ PHE A 37 13.131 -4.985 7.885 1.00 1.00 C ATOM 0 H PHE A 37 13.486 -7.754 3.509 1.00 1.00 H new ATOM 0 HA PHE A 37 10.879 -7.979 2.931 1.00 1.00 H new ATOM 0 HB2 PHE A 37 9.855 -6.300 4.589 1.00 1.00 H new ATOM 0 HB3 PHE A 37 10.204 -7.854 5.321 1.00 1.00 H new ATOM 0 HD1 PHE A 37 12.143 -8.099 6.929 1.00 1.00 H new ATOM 0 HD2 PHE A 37 11.140 -4.255 5.235 1.00 1.00 H new ATOM 0 HE1 PHE A 37 13.541 -6.964 8.627 1.00 1.00 H new ATOM 0 HE2 PHE A 37 12.542 -3.148 6.945 1.00 1.00 H new ATOM 0 HZ PHE A 37 13.747 -4.496 8.626 1.00 1.00 H new ATOM 493 N CYS A 38 12.429 -6.248 1.404 1.00 1.00 N ATOM 494 CA CYS A 38 12.957 -5.073 0.607 1.00 1.00 C ATOM 495 C CYS A 38 13.126 -5.442 -0.788 1.00 1.00 C ATOM 496 O CYS A 38 13.902 -4.857 -1.549 1.00 1.00 O ATOM 497 CB CYS A 38 14.260 -4.472 1.207 1.00 1.00 C ATOM 498 SG CYS A 38 15.721 -5.270 0.523 1.00 1.00 S ATOM 0 H CYS A 38 12.360 -7.110 0.864 1.00 1.00 H new ATOM 0 HA CYS A 38 12.211 -4.281 0.666 1.00 1.00 H new ATOM 0 HB2 CYS A 38 14.298 -3.402 1.003 1.00 1.00 H new ATOM 0 HB3 CYS A 38 14.252 -4.589 2.291 1.00 1.00 H new ATOM 503 N GLN A 39 12.432 -6.432 -1.090 1.00 1.00 N ATOM 504 CA GLN A 39 12.414 -7.046 -2.347 1.00 1.00 C ATOM 505 C GLN A 39 11.200 -7.956 -2.419 1.00 1.00 C ATOM 506 O GLN A 39 10.702 -8.339 -1.469 1.00 1.00 O ATOM 507 CB GLN A 39 13.807 -7.794 -2.509 1.00 1.00 C ATOM 508 CG GLN A 39 13.726 -9.291 -2.372 1.00 1.00 C ATOM 509 CD GLN A 39 12.947 -9.906 -3.542 1.00 1.00 C ATOM 510 OE1 GLN A 39 12.362 -10.981 -3.403 1.00 1.00 O ATOM 511 NE2 GLN A 39 12.908 -9.284 -4.691 1.00 1.00 N ATOM 0 H GLN A 39 11.806 -6.882 -0.422 1.00 1.00 H new ATOM 0 HA GLN A 39 12.314 -6.347 -3.177 1.00 1.00 H new ATOM 0 HB2 GLN A 39 14.224 -7.552 -3.487 1.00 1.00 H new ATOM 0 HB3 GLN A 39 14.502 -7.410 -1.762 1.00 1.00 H new ATOM 0 HG2 GLN A 39 14.731 -9.712 -2.337 1.00 1.00 H new ATOM 0 HG3 GLN A 39 13.240 -9.548 -1.431 1.00 1.00 H new ATOM 0 HE21 GLN A 39 13.393 -8.394 -4.806 1.00 1.00 H new ATOM 0 HE22 GLN A 39 12.393 -9.689 -5.473 1.00 1.00 H new ATOM 520 N GLY A 40 10.702 -8.215 -3.606 1.00 1.00 N ATOM 521 CA GLY A 40 9.498 -9.088 -3.738 1.00 1.00 C ATOM 522 C GLY A 40 8.156 -8.378 -4.107 1.00 1.00 C ATOM 523 O GLY A 40 7.965 -7.939 -5.240 1.00 1.00 O ATOM 0 H GLY A 40 11.078 -7.859 -4.485 1.00 1.00 H new ATOM 0 HA2 GLY A 40 9.705 -9.841 -4.498 1.00 1.00 H new ATOM 0 HA3 GLY A 40 9.356 -9.617 -2.796 1.00 1.00 H new ATOM 527 N THR A 41 7.189 -8.383 -3.125 1.00 1.00 N ATOM 528 CA THR A 41 5.780 -7.831 -3.383 1.00 1.00 C ATOM 529 C THR A 41 5.034 -7.243 -2.059 1.00 1.00 C ATOM 530 O THR A 41 5.140 -7.799 -1.039 1.00 1.00 O ATOM 531 CB THR A 41 4.943 -9.053 -3.931 1.00 1.00 C ATOM 532 OG1 THR A 41 4.190 -8.644 -5.063 1.00 1.00 O ATOM 533 CG2 THR A 41 3.983 -9.623 -2.856 1.00 1.00 C ATOM 0 H THR A 41 7.335 -8.744 -2.182 1.00 1.00 H new ATOM 0 HA THR A 41 5.856 -6.990 -4.073 1.00 1.00 H new ATOM 0 HB THR A 41 5.645 -9.840 -4.207 1.00 1.00 H new ATOM 0 HG1 THR A 41 3.672 -9.403 -5.403 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.426 -10.462 -3.274 1.00 1.00 H new ATOM 0 HG22 THR A 41 4.560 -9.963 -1.996 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.287 -8.846 -2.541 1.00 1.00 H new ATOM 541 N SER A 42 4.245 -6.184 -2.205 1.00 1.00 N ATOM 542 CA SER A 42 3.433 -5.647 -1.030 1.00 1.00 C ATOM 543 C SER A 42 2.135 -6.073 -1.220 1.00 1.00 C ATOM 544 O SER A 42 1.321 -5.309 -1.745 1.00 1.00 O ATOM 545 CB SER A 42 3.438 -3.981 -0.896 1.00 1.00 C ATOM 546 OG SER A 42 4.154 -3.419 -1.967 1.00 1.00 O ATOM 0 H SER A 42 4.126 -5.670 -3.078 1.00 1.00 H new ATOM 0 HA SER A 42 3.884 -6.020 -0.111 1.00 1.00 H new ATOM 0 HB2 SER A 42 2.415 -3.604 -0.893 1.00 1.00 H new ATOM 0 HB3 SER A 42 3.890 -3.685 0.051 1.00 1.00 H new ATOM 0 HG SER A 42 3.787 -2.535 -2.178 1.00 1.00 H new ATOM 552 N ARG A 43 1.791 -7.339 -0.835 1.00 1.00 N ATOM 553 CA ARG A 43 0.454 -7.850 -1.014 1.00 1.00 C ATOM 554 C ARG A 43 -0.234 -7.238 -2.056 1.00 1.00 C ATOM 555 O ARG A 43 -1.135 -6.446 -1.829 1.00 1.00 O ATOM 556 CB ARG A 43 -0.325 -7.805 0.294 1.00 1.00 C ATOM 557 CG ARG A 43 -0.225 -6.305 1.013 1.00 1.00 C ATOM 558 CD ARG A 43 -1.522 -5.415 0.560 1.00 1.00 C ATOM 559 NE ARG A 43 -2.027 -4.638 1.702 1.00 1.00 N ATOM 560 CZ ARG A 43 -1.414 -3.530 2.117 1.00 1.00 C ATOM 561 NH1 ARG A 43 -0.348 -3.103 1.507 1.00 1.00 N ATOM 562 NH2 ARG A 43 -1.888 -2.870 3.140 1.00 1.00 N ATOM 0 H ARG A 43 2.439 -7.998 -0.404 1.00 1.00 H new ATOM 0 HA ARG A 43 0.555 -8.894 -1.310 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -1.370 -8.050 0.105 1.00 1.00 H new ATOM 0 HB3 ARG A 43 0.062 -8.563 0.975 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -0.198 -6.408 2.098 1.00 1.00 H new ATOM 0 HG3 ARG A 43 0.697 -5.805 0.717 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -1.246 -4.743 -0.253 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -2.307 -6.069 0.180 1.00 1.00 H new ATOM 0 HE ARG A 43 -2.866 -4.955 2.188 1.00 1.00 H new ATOM 0 HH11 ARG A 43 0.022 -3.617 0.707 1.00 1.00 H new ATOM 0 HH12 ARG A 43 0.118 -2.254 1.828 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -2.725 -3.203 3.619 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -1.421 -2.022 3.460 1.00 1.00 H new ATOM 576 N LYS A 44 0.123 -7.673 -3.317 1.00 1.00 N ATOM 577 CA LYS A 44 -0.561 -7.202 -4.462 1.00 1.00 C ATOM 578 C LYS A 44 -1.887 -7.240 -4.144 1.00 1.00 C ATOM 579 O LYS A 44 -2.417 -8.287 -4.120 1.00 1.00 O ATOM 580 CB LYS A 44 -0.309 -8.088 -5.676 1.00 1.00 C ATOM 581 CG LYS A 44 -1.166 -7.540 -6.858 1.00 1.00 C ATOM 582 CD LYS A 44 -0.764 -8.243 -8.169 1.00 1.00 C ATOM 583 CE LYS A 44 -1.751 -7.862 -9.296 1.00 1.00 C ATOM 584 NZ LYS A 44 -1.661 -8.868 -10.403 1.00 1.00 N ATOM 0 H LYS A 44 0.873 -8.337 -3.508 1.00 1.00 H new ATOM 0 HA LYS A 44 -0.218 -6.201 -4.723 1.00 1.00 H new ATOM 0 HB2 LYS A 44 0.749 -8.084 -5.938 1.00 1.00 H new ATOM 0 HB3 LYS A 44 -0.579 -9.121 -5.457 1.00 1.00 H new ATOM 0 HG2 LYS A 44 -2.225 -7.704 -6.657 1.00 1.00 H new ATOM 0 HG3 LYS A 44 -1.023 -6.464 -6.954 1.00 1.00 H new ATOM 0 HD2 LYS A 44 0.250 -7.956 -8.449 1.00 1.00 H new ATOM 0 HD3 LYS A 44 -0.762 -9.324 -8.026 1.00 1.00 H new ATOM 0 HE2 LYS A 44 -2.768 -7.825 -8.906 1.00 1.00 H new ATOM 0 HE3 LYS A 44 -1.519 -6.867 -9.675 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 -2.325 -8.611 -11.161 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 -0.692 -8.882 -10.782 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 -1.903 -9.811 -10.036 1.00 1.00 H new ATOM 598 N PRO A 45 -2.547 -6.086 -3.819 1.00 1.00 N ATOM 599 CA PRO A 45 -3.949 -6.109 -3.487 1.00 1.00 C ATOM 600 C PRO A 45 -4.605 -6.710 -4.648 1.00 1.00 C ATOM 601 O PRO A 45 -5.313 -6.067 -5.424 1.00 1.00 O ATOM 602 CB PRO A 45 -4.290 -4.649 -3.261 1.00 1.00 C ATOM 603 CG PRO A 45 -2.992 -4.053 -2.895 1.00 1.00 C ATOM 604 CD PRO A 45 -2.014 -4.730 -3.742 1.00 1.00 C ATOM 0 HA PRO A 45 -4.250 -6.679 -2.608 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -4.706 -4.189 -4.157 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -5.028 -4.526 -2.468 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -2.988 -2.977 -3.070 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -2.772 -4.205 -1.838 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -1.940 -4.267 -4.726 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -1.016 -4.711 -3.304 1.00 1.00 H new ATOM 612 N ASP A 46 -4.226 -7.956 -4.832 1.00 1.00 N ATOM 613 CA ASP A 46 -4.615 -8.712 -5.981 1.00 1.00 C ATOM 614 C ASP A 46 -6.035 -9.294 -5.813 1.00 1.00 C ATOM 615 O ASP A 46 -6.589 -9.265 -4.714 1.00 1.00 O ATOM 616 CB ASP A 46 -3.537 -9.937 -6.322 1.00 1.00 C ATOM 617 CG ASP A 46 -4.195 -11.343 -6.241 1.00 1.00 C ATOM 618 OD1 ASP A 46 -4.901 -11.592 -5.295 1.00 1.00 O ATOM 619 OD2 ASP A 46 -3.960 -12.135 -7.140 1.00 1.00 O ATOM 0 H ASP A 46 -3.635 -8.468 -4.178 1.00 1.00 H new ATOM 0 HA ASP A 46 -4.614 -8.019 -6.823 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -3.126 -9.788 -7.320 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -2.702 -9.888 -5.623 1.00 1.00 H new ATOM 624 N PRO A 47 -6.618 -9.870 -6.876 1.00 1.00 N ATOM 625 CA PRO A 47 -7.965 -10.507 -6.790 1.00 1.00 C ATOM 626 C PRO A 47 -7.913 -11.828 -5.939 1.00 1.00 C ATOM 627 O PRO A 47 -8.223 -12.914 -6.428 1.00 1.00 O ATOM 628 CB PRO A 47 -8.338 -10.791 -8.291 1.00 1.00 C ATOM 629 CG PRO A 47 -7.326 -10.015 -9.101 1.00 1.00 C ATOM 630 CD PRO A 47 -6.074 -9.966 -8.254 1.00 1.00 C ATOM 0 HA PRO A 47 -8.704 -9.879 -6.292 1.00 1.00 H new ATOM 0 HB2 PRO A 47 -8.289 -11.857 -8.515 1.00 1.00 H new ATOM 0 HB3 PRO A 47 -9.354 -10.465 -8.513 1.00 1.00 H new ATOM 0 HG2 PRO A 47 -7.133 -10.502 -10.057 1.00 1.00 H new ATOM 0 HG3 PRO A 47 -7.688 -9.011 -9.322 1.00 1.00 H new ATOM 0 HD2 PRO A 47 -5.460 -10.857 -8.386 1.00 1.00 H new ATOM 0 HD3 PRO A 47 -5.449 -9.109 -8.504 1.00 1.00 H new ATOM 638 N GLY A 48 -7.526 -11.681 -4.660 1.00 1.00 N ATOM 639 CA GLY A 48 -7.437 -12.818 -3.720 1.00 1.00 C ATOM 640 C GLY A 48 -7.863 -12.315 -2.389 1.00 1.00 C ATOM 641 O GLY A 48 -8.987 -12.561 -1.950 1.00 1.00 O ATOM 0 H GLY A 48 -7.268 -10.783 -4.250 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -8.077 -13.638 -4.045 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -6.419 -13.205 -3.678 1.00 1.00 H new ATOM 645 N PRO A 49 -7.023 -11.511 -1.759 1.00 1.00 N ATOM 646 CA PRO A 49 -7.371 -10.875 -0.524 1.00 1.00 C ATOM 647 C PRO A 49 -8.679 -10.166 -0.699 1.00 1.00 C ATOM 648 O PRO A 49 -9.712 -10.647 -0.246 1.00 1.00 O ATOM 649 CB PRO A 49 -6.194 -9.852 -0.251 1.00 1.00 C ATOM 650 CG PRO A 49 -5.295 -9.904 -1.448 1.00 1.00 C ATOM 651 CD PRO A 49 -5.666 -11.163 -2.211 1.00 1.00 C ATOM 0 HA PRO A 49 -7.488 -11.571 0.307 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -6.583 -8.845 -0.102 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -5.650 -10.120 0.654 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -5.427 -9.020 -2.071 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -4.248 -9.928 -1.146 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -5.643 -10.991 -3.287 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -4.964 -11.970 -2.002 1.00 1.00 H new ATOM 659 N LYS A 50 -8.621 -9.025 -1.405 1.00 1.00 N ATOM 660 CA LYS A 50 -9.801 -8.178 -1.708 1.00 1.00 C ATOM 661 C LYS A 50 -10.338 -7.498 -0.470 1.00 1.00 C ATOM 662 O LYS A 50 -11.555 -7.400 -0.307 1.00 1.00 O ATOM 663 CB LYS A 50 -10.987 -9.157 -2.331 1.00 1.00 C ATOM 664 CG LYS A 50 -11.169 -8.893 -3.953 1.00 1.00 C ATOM 665 CD LYS A 50 -12.152 -7.631 -4.234 1.00 1.00 C ATOM 666 CE LYS A 50 -11.627 -6.337 -3.540 1.00 1.00 C ATOM 667 NZ LYS A 50 -10.274 -5.994 -4.070 1.00 1.00 N ATOM 0 H LYS A 50 -7.750 -8.656 -1.787 1.00 1.00 H new ATOM 0 HA LYS A 50 -9.501 -7.403 -2.414 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -10.733 -10.202 -2.154 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -11.930 -8.966 -1.818 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -10.195 -8.707 -4.406 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -11.575 -9.787 -4.427 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -12.233 -7.463 -5.308 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -13.154 -7.860 -3.871 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -12.317 -5.512 -3.717 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -11.578 -6.486 -2.461 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -9.654 -5.713 -3.284 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -9.869 -6.823 -4.551 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -10.355 -5.207 -4.745 1.00 1.00 H new ATOM 681 N GLY A 51 -9.468 -7.083 0.486 1.00 1.00 N ATOM 682 CA GLY A 51 -9.899 -6.594 1.583 1.00 1.00 C ATOM 683 C GLY A 51 -8.936 -6.979 2.526 1.00 1.00 C ATOM 684 O GLY A 51 -8.230 -6.211 2.932 1.00 1.00 O ATOM 0 H GLY A 51 -8.452 -7.128 0.404 1.00 1.00 H new ATOM 0 HA2 GLY A 51 -9.992 -5.509 1.527 1.00 1.00 H new ATOM 0 HA3 GLY A 51 -10.884 -6.986 1.835 1.00 1.00 H new ATOM 688 N PRO A 52 -8.866 -8.274 2.853 1.00 1.00 N ATOM 689 CA PRO A 52 -7.841 -8.857 3.788 1.00 1.00 C ATOM 690 C PRO A 52 -6.449 -8.144 3.750 1.00 1.00 C ATOM 691 O PRO A 52 -5.528 -8.648 4.207 1.00 1.00 O ATOM 692 CB PRO A 52 -7.711 -10.276 3.283 1.00 1.00 C ATOM 693 CG PRO A 52 -9.095 -10.643 2.804 1.00 1.00 C ATOM 694 CD PRO A 52 -9.781 -9.309 2.386 1.00 1.00 C ATOM 0 HA PRO A 52 -8.154 -8.756 4.827 1.00 1.00 H new ATOM 0 HB2 PRO A 52 -6.982 -10.343 2.475 1.00 1.00 H new ATOM 0 HB3 PRO A 52 -7.375 -10.948 4.073 1.00 1.00 H new ATOM 0 HG2 PRO A 52 -9.045 -11.334 1.963 1.00 1.00 H new ATOM 0 HG3 PRO A 52 -9.660 -11.140 3.592 1.00 1.00 H new ATOM 0 HD2 PRO A 52 -9.924 -9.256 1.307 1.00 1.00 H new ATOM 0 HD3 PRO A 52 -10.765 -9.207 2.844 1.00 1.00 H new ATOM 702 N THR A 53 -6.397 -6.957 3.238 1.00 1.00 N ATOM 703 CA THR A 53 -5.182 -6.162 3.213 1.00 1.00 C ATOM 704 C THR A 53 -5.638 -4.810 3.465 1.00 1.00 C ATOM 705 O THR A 53 -6.808 -4.543 3.281 1.00 1.00 O ATOM 706 CB THR A 53 -4.384 -6.265 1.918 1.00 1.00 C ATOM 707 OG1 THR A 53 -4.328 -5.018 1.274 1.00 1.00 O ATOM 708 CG2 THR A 53 -4.997 -7.275 1.000 1.00 1.00 C ATOM 0 H THR A 53 -7.201 -6.493 2.816 1.00 1.00 H new ATOM 0 HA THR A 53 -4.472 -6.522 3.957 1.00 1.00 H new ATOM 0 HB THR A 53 -3.372 -6.583 2.170 1.00 1.00 H new ATOM 0 HG1 THR A 53 -4.185 -5.152 0.314 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.413 -7.334 0.082 1.00 1.00 H new ATOM 0 HG22 THR A 53 -5.007 -8.250 1.487 1.00 1.00 H new ATOM 0 HG23 THR A 53 -6.018 -6.978 0.762 1.00 1.00 H new ATOM 716 N TYR A 54 -4.856 -3.995 3.863 1.00 1.00 N ATOM 717 CA TYR A 54 -5.337 -2.612 4.198 1.00 1.00 C ATOM 718 C TYR A 54 -4.346 -1.851 5.028 1.00 1.00 C ATOM 719 O TYR A 54 -3.831 -2.371 5.995 1.00 1.00 O ATOM 720 CB TYR A 54 -6.718 -2.754 5.057 1.00 1.00 C ATOM 721 CG TYR A 54 -6.757 -1.802 6.351 1.00 1.00 C ATOM 722 CD1 TYR A 54 -5.950 -2.100 7.498 1.00 1.00 C ATOM 723 CD2 TYR A 54 -7.586 -0.679 6.380 1.00 1.00 C ATOM 724 CE1 TYR A 54 -5.995 -1.274 8.623 1.00 1.00 C ATOM 725 CE2 TYR A 54 -7.618 0.144 7.530 1.00 1.00 C ATOM 726 CZ TYR A 54 -6.824 -0.159 8.639 1.00 1.00 C ATOM 727 OH TYR A 54 -6.863 0.654 9.759 1.00 1.00 O ATOM 0 H TYR A 54 -3.859 -4.158 4.001 1.00 1.00 H new ATOM 0 HA TYR A 54 -5.484 -2.067 3.265 1.00 1.00 H new ATOM 0 HB2 TYR A 54 -7.565 -2.517 4.413 1.00 1.00 H new ATOM 0 HB3 TYR A 54 -6.838 -3.791 5.372 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -5.305 -2.966 7.492 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -8.202 -0.439 5.526 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -5.384 -1.503 9.483 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -8.260 1.012 7.551 1.00 1.00 H new ATOM 0 HH TYR A 54 -7.492 1.390 9.607 1.00 1.00 H new ATOM 737 N CYS A 55 -4.057 -0.502 4.636 1.00 1.00 N ATOM 738 CA CYS A 55 -3.069 0.328 5.509 1.00 1.00 C ATOM 739 C CYS A 55 -3.505 1.755 5.927 1.00 1.00 C ATOM 740 O CYS A 55 -3.096 2.276 6.964 1.00 1.00 O ATOM 741 CB CYS A 55 -1.752 0.446 4.849 1.00 1.00 C ATOM 742 SG CYS A 55 -0.502 0.753 6.176 1.00 1.00 S ATOM 0 H CYS A 55 -4.445 -0.023 3.823 1.00 1.00 H new ATOM 0 HA CYS A 55 -3.039 -0.256 6.429 1.00 1.00 H new ATOM 0 HB2 CYS A 55 -1.514 -0.465 4.299 1.00 1.00 H new ATOM 0 HB3 CYS A 55 -1.755 1.262 4.127 1.00 1.00 H new ATOM 747 N TRP A 56 -4.291 2.348 5.081 1.00 1.00 N ATOM 748 CA TRP A 56 -4.775 3.608 5.212 1.00 1.00 C ATOM 749 C TRP A 56 -6.311 3.596 5.448 1.00 1.00 C ATOM 750 O TRP A 56 -6.787 2.965 6.395 1.00 1.00 O ATOM 751 CB TRP A 56 -4.488 4.286 3.888 1.00 1.00 C ATOM 752 CG TRP A 56 -4.840 5.732 3.968 1.00 1.00 C ATOM 753 CD1 TRP A 56 -5.296 6.382 2.977 1.00 1.00 C ATOM 754 CD2 TRP A 56 -4.755 6.712 5.117 1.00 1.00 C ATOM 755 NE1 TRP A 56 -5.485 7.650 3.315 1.00 1.00 N ATOM 756 CE2 TRP A 56 -5.177 7.908 4.645 1.00 1.00 C ATOM 757 CE3 TRP A 56 -4.342 6.653 6.508 1.00 1.00 C ATOM 758 CZ2 TRP A 56 -5.226 9.061 5.450 1.00 1.00 C ATOM 759 CZ3 TRP A 56 -4.394 7.801 7.307 1.00 1.00 C ATOM 760 CH2 TRP A 56 -4.836 8.998 6.776 1.00 1.00 C ATOM 0 H TRP A 56 -4.611 1.891 4.227 1.00 1.00 H new ATOM 0 HA TRP A 56 -4.317 4.115 6.061 1.00 1.00 H new ATOM 0 HB2 TRP A 56 -3.434 4.174 3.634 1.00 1.00 H new ATOM 0 HB3 TRP A 56 -5.061 3.807 3.093 1.00 1.00 H new ATOM 0 HD1 TRP A 56 -5.500 5.964 2.002 1.00 1.00 H new ATOM 0 HE1 TRP A 56 -5.821 8.362 2.666 1.00 1.00 H new ATOM 0 HE3 TRP A 56 -3.994 5.721 6.927 1.00 1.00 H new ATOM 0 HZ2 TRP A 56 -5.568 9.996 5.032 1.00 1.00 H new ATOM 0 HZ3 TRP A 56 -4.088 7.751 8.342 1.00 1.00 H new ATOM 0 HH2 TRP A 56 -4.877 9.882 7.395 1.00 1.00 H new ATOM 771 N ASP A 57 -7.132 4.235 4.409 1.00 1.00 N ATOM 772 CA ASP A 57 -8.545 4.209 4.390 1.00 1.00 C ATOM 773 C ASP A 57 -9.135 5.445 3.631 1.00 1.00 C ATOM 774 O ASP A 57 -10.324 5.693 3.757 1.00 1.00 O ATOM 775 CB ASP A 57 -9.101 4.183 5.791 1.00 1.00 C ATOM 776 CG ASP A 57 -9.544 2.769 6.202 1.00 1.00 C ATOM 777 OD1 ASP A 57 -9.133 1.824 5.547 1.00 1.00 O ATOM 778 OD2 ASP A 57 -10.285 2.660 7.164 1.00 1.00 O ATOM 0 H ASP A 57 -6.728 4.746 3.624 1.00 1.00 H new ATOM 0 HA ASP A 57 -8.837 3.300 3.863 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -8.346 4.545 6.489 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -9.949 4.864 5.858 1.00 1.00 H new ATOM 783 N GLU A 58 -8.296 6.245 2.900 1.00 1.00 N ATOM 784 CA GLU A 58 -8.806 7.415 2.291 1.00 1.00 C ATOM 785 C GLU A 58 -7.749 8.195 1.702 1.00 1.00 C ATOM 786 O GLU A 58 -7.307 9.114 2.334 1.00 1.00 O ATOM 787 CB GLU A 58 -9.408 8.280 3.459 1.00 1.00 C ATOM 788 CG GLU A 58 -8.340 8.341 4.587 1.00 1.00 C ATOM 789 CD GLU A 58 -8.932 8.978 5.842 1.00 1.00 C ATOM 790 OE1 GLU A 58 -8.985 10.198 5.894 1.00 1.00 O ATOM 791 OE2 GLU A 58 -9.323 8.239 6.732 1.00 1.00 O ATOM 0 H GLU A 58 -7.303 6.069 2.749 1.00 1.00 H new ATOM 0 HA GLU A 58 -9.527 7.148 1.518 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -9.654 9.282 3.108 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -10.332 7.836 3.829 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -7.983 7.336 4.814 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -7.478 8.917 4.250 1.00 1.00 H new ATOM 798 N ALA A 59 -7.237 7.947 0.505 1.00 1.00 N ATOM 799 CA ALA A 59 -6.164 8.880 0.044 1.00 1.00 C ATOM 800 C ALA A 59 -6.186 9.096 -1.468 1.00 1.00 C ATOM 801 O ALA A 59 -5.245 9.410 -1.966 1.00 1.00 O ATOM 802 CB ALA A 59 -4.944 8.272 0.362 1.00 1.00 C ATOM 0 H ALA A 59 -7.499 7.191 -0.128 1.00 1.00 H new ATOM 0 HA ALA A 59 -6.311 9.848 0.523 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -4.123 8.915 0.045 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -4.886 8.114 1.439 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -4.871 7.312 -0.150 1.00 1.00 H new ATOM 808 N LYS A 60 -7.295 8.839 -2.188 1.00 1.00 N ATOM 809 CA LYS A 60 -7.239 8.983 -3.722 1.00 1.00 C ATOM 810 C LYS A 60 -7.972 10.144 -4.216 1.00 1.00 C ATOM 811 O LYS A 60 -7.719 10.554 -5.353 1.00 1.00 O ATOM 812 CB LYS A 60 -7.728 7.730 -4.410 1.00 1.00 C ATOM 813 CG LYS A 60 -8.821 7.182 -3.519 1.00 1.00 C ATOM 814 CD LYS A 60 -9.685 6.074 -4.241 1.00 1.00 C ATOM 815 CE LYS A 60 -11.194 6.337 -3.990 1.00 1.00 C ATOM 816 NZ LYS A 60 -11.469 6.261 -2.524 1.00 1.00 N ATOM 0 H LYS A 60 -8.194 8.550 -1.803 1.00 1.00 H new ATOM 0 HA LYS A 60 -6.188 9.138 -3.967 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -8.109 7.952 -5.407 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -6.921 7.008 -4.531 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.375 6.762 -2.618 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -9.471 7.997 -3.202 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -9.479 6.079 -5.311 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -9.412 5.087 -3.869 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -11.473 7.318 -4.374 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -11.797 5.602 -4.524 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -12.497 6.250 -2.364 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -11.049 5.392 -2.137 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -11.054 7.088 -2.050 1.00 1.00 H new ATOM 872 N PRO A 65 -8.108 13.630 0.605 1.00 1.00 N ATOM 873 CA PRO A 65 -7.621 12.582 1.417 1.00 1.00 C ATOM 874 C PRO A 65 -6.140 12.485 1.306 1.00 1.00 C ATOM 875 O PRO A 65 -5.534 13.288 0.652 1.00 1.00 O ATOM 876 CB PRO A 65 -8.370 11.324 0.905 1.00 1.00 C ATOM 877 CG PRO A 65 -9.558 11.883 0.387 1.00 1.00 C ATOM 878 CD PRO A 65 -9.059 13.137 -0.312 1.00 1.00 C ATOM 0 HA PRO A 65 -7.803 12.728 2.482 1.00 1.00 H new ATOM 0 HB2 PRO A 65 -7.802 10.793 0.141 1.00 1.00 H new ATOM 0 HB3 PRO A 65 -8.569 10.613 1.707 1.00 1.00 H new ATOM 0 HG2 PRO A 65 -10.057 11.205 -0.305 1.00 1.00 H new ATOM 0 HG3 PRO A 65 -10.273 12.116 1.176 1.00 1.00 H new ATOM 0 HD2 PRO A 65 -8.613 12.913 -1.281 1.00 1.00 H new ATOM 0 HD3 PRO A 65 -9.863 13.852 -0.489 1.00 1.00 H new ATOM 886 N ASN A 66 -5.559 11.624 2.043 1.00 1.00 N ATOM 887 CA ASN A 66 -4.042 11.569 2.086 1.00 1.00 C ATOM 888 C ASN A 66 -3.423 11.736 0.651 1.00 1.00 C ATOM 889 O ASN A 66 -2.245 12.040 0.477 1.00 1.00 O ATOM 890 CB ASN A 66 -3.515 10.218 2.729 1.00 1.00 C ATOM 891 CG ASN A 66 -2.528 10.508 3.879 1.00 1.00 C ATOM 892 OD1 ASN A 66 -1.729 11.538 3.794 1.00 1.00 O flip ATOM 893 ND2 ASN A 66 -2.491 9.776 4.868 1.00 1.00 N flip ATOM 0 H ASN A 66 -6.037 10.941 2.630 1.00 1.00 H new ATOM 0 HA ASN A 66 -3.722 12.400 2.714 1.00 1.00 H new ATOM 0 HB2 ASN A 66 -4.357 9.636 3.104 1.00 1.00 H new ATOM 0 HB3 ASN A 66 -3.024 9.614 1.966 1.00 1.00 H new ATOM 0 HD21 ASN A 66 -3.116 8.973 4.931 1.00 1.00 H new ATOM 0 HD22 ASN A 66 -1.835 9.973 5.624 1.00 1.00 H new ATOM 900 N ARG A 67 -4.307 11.540 -0.326 1.00 1.00 N ATOM 901 CA ARG A 67 -4.007 11.662 -1.762 1.00 1.00 C ATOM 902 C ARG A 67 -2.976 10.658 -2.297 1.00 1.00 C ATOM 903 O ARG A 67 -1.782 10.727 -2.010 1.00 1.00 O ATOM 904 CB ARG A 67 -3.500 13.078 -2.091 1.00 1.00 C ATOM 905 CG ARG A 67 -4.659 14.021 -2.188 1.00 1.00 C ATOM 906 CD ARG A 67 -5.196 14.001 -3.593 1.00 1.00 C ATOM 907 NE ARG A 67 -4.193 14.497 -4.601 1.00 1.00 N ATOM 908 CZ ARG A 67 -3.625 15.743 -4.559 1.00 1.00 C ATOM 909 NH1 ARG A 67 -3.914 16.586 -3.625 1.00 1.00 N ATOM 910 NH2 ARG A 67 -2.780 16.088 -5.486 1.00 1.00 N ATOM 0 H ARG A 67 -5.277 11.285 -0.142 1.00 1.00 H new ATOM 0 HA ARG A 67 -4.955 11.444 -2.254 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -2.808 13.415 -1.319 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -2.948 13.068 -3.031 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -5.439 13.731 -1.484 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -4.346 15.030 -1.920 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -5.493 12.984 -3.851 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -6.093 14.618 -3.644 1.00 1.00 H new ATOM 0 HE ARG A 67 -3.921 13.870 -5.358 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -4.579 16.330 -2.895 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -3.477 17.508 -3.617 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -2.547 15.434 -6.233 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -2.350 17.013 -5.466 1.00 1.00 H new ATOM 924 N CYS A 68 -3.466 9.855 -3.141 1.00 1.00 N ATOM 925 CA CYS A 68 -2.767 8.917 -3.883 1.00 1.00 C ATOM 926 C CYS A 68 -3.272 9.174 -5.174 1.00 1.00 C ATOM 927 O CYS A 68 -2.617 9.846 -5.978 1.00 1.00 O ATOM 928 CB CYS A 68 -2.984 7.361 -3.416 1.00 1.00 C ATOM 929 SG CYS A 68 -4.503 6.999 -2.469 1.00 1.00 S ATOM 0 H CYS A 68 -4.465 9.841 -3.346 1.00 1.00 H new ATOM 0 HA CYS A 68 -1.686 9.015 -3.780 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -2.980 6.734 -4.307 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -2.127 7.063 -2.813 1.00 1.00 H new ATOM 934 N SER A 69 -4.417 8.719 -5.417 1.00 1.00 N ATOM 935 CA SER A 69 -5.076 8.953 -6.663 1.00 1.00 C ATOM 936 C SER A 69 -4.638 8.027 -7.709 1.00 1.00 C ATOM 937 O SER A 69 -5.433 7.553 -8.525 1.00 1.00 O ATOM 938 CB SER A 69 -4.793 10.420 -7.169 1.00 1.00 C ATOM 939 OG SER A 69 -3.639 10.417 -8.014 1.00 1.00 O ATOM 0 H SER A 69 -4.956 8.158 -4.757 1.00 1.00 H new ATOM 0 HA SER A 69 -6.140 8.802 -6.478 1.00 1.00 H new ATOM 0 HB2 SER A 69 -5.656 10.801 -7.715 1.00 1.00 H new ATOM 0 HB3 SER A 69 -4.634 11.085 -6.320 1.00 1.00 H new ATOM 0 HG SER A 69 -2.834 10.300 -7.468 1.00 1.00 H new ATOM 945 N ASN A 70 -3.319 7.874 -7.785 1.00 1.00 N ATOM 946 CA ASN A 70 -2.675 7.096 -8.892 1.00 1.00 C ATOM 947 C ASN A 70 -2.030 5.957 -8.425 1.00 1.00 C ATOM 948 O ASN A 70 -2.063 4.905 -9.057 1.00 1.00 O ATOM 949 CB ASN A 70 -1.612 7.988 -9.558 1.00 1.00 C ATOM 950 CG ASN A 70 -2.257 9.249 -10.117 1.00 1.00 C ATOM 951 OD1 ASN A 70 -1.957 10.353 -9.664 1.00 1.00 O ATOM 952 ND2 ASN A 70 -3.125 9.151 -11.084 1.00 1.00 N ATOM 0 H ASN A 70 -2.662 8.266 -7.110 1.00 1.00 H new ATOM 0 HA ASN A 70 -3.459 6.794 -9.586 1.00 1.00 H new ATOM 0 HB2 ASN A 70 -0.844 8.255 -8.832 1.00 1.00 H new ATOM 0 HB3 ASN A 70 -1.116 7.439 -10.359 1.00 1.00 H new ATOM 0 HD21 ASN A 70 -3.558 9.991 -11.468 1.00 1.00 H new ATOM 0 HD22 ASN A 70 -3.371 8.234 -11.457 1.00 1.00 H new ATOM 959 N SER A 71 -1.393 6.124 -7.333 1.00 1.00 N ATOM 960 CA SER A 71 -0.674 5.096 -6.711 1.00 1.00 C ATOM 961 C SER A 71 0.403 5.679 -5.870 1.00 1.00 C ATOM 962 O SER A 71 1.417 6.048 -6.397 1.00 1.00 O ATOM 963 CB SER A 71 -0.029 4.165 -7.689 1.00 1.00 C ATOM 964 OG SER A 71 1.171 3.620 -7.104 1.00 1.00 O ATOM 0 H SER A 71 -1.359 7.013 -6.833 1.00 1.00 H new ATOM 0 HA SER A 71 -1.393 4.532 -6.116 1.00 1.00 H new ATOM 0 HB2 SER A 71 -0.717 3.362 -7.952 1.00 1.00 H new ATOM 0 HB3 SER A 71 0.210 4.695 -8.611 1.00 1.00 H new ATOM 0 HG SER A 71 1.597 3.008 -7.741 1.00 1.00 H new ATOM 970 N LYS A 72 0.180 5.695 -4.510 1.00 1.00 N ATOM 971 CA LYS A 72 1.215 6.208 -3.530 1.00 1.00 C ATOM 972 C LYS A 72 0.735 6.684 -2.262 1.00 1.00 C ATOM 973 O LYS A 72 1.237 7.663 -1.762 1.00 1.00 O ATOM 974 CB LYS A 72 1.917 7.452 -4.218 1.00 1.00 C ATOM 975 CG LYS A 72 0.900 8.514 -4.537 1.00 1.00 C ATOM 976 CD LYS A 72 1.594 9.716 -5.305 1.00 1.00 C ATOM 977 CE LYS A 72 0.588 10.388 -6.276 1.00 1.00 C ATOM 978 NZ LYS A 72 1.233 11.588 -6.903 1.00 1.00 N ATOM 0 H LYS A 72 -0.682 5.368 -4.074 1.00 1.00 H new ATOM 0 HA LYS A 72 1.850 5.349 -3.311 1.00 1.00 H new ATOM 0 HB2 LYS A 72 2.682 7.858 -3.557 1.00 1.00 H new ATOM 0 HB3 LYS A 72 2.421 7.135 -5.131 1.00 1.00 H new ATOM 0 HG2 LYS A 72 0.102 8.093 -5.149 1.00 1.00 H new ATOM 0 HG3 LYS A 72 0.440 8.876 -3.618 1.00 1.00 H new ATOM 0 HD2 LYS A 72 1.963 10.450 -4.588 1.00 1.00 H new ATOM 0 HD3 LYS A 72 2.458 9.351 -5.861 1.00 1.00 H new ATOM 0 HE2 LYS A 72 0.281 9.681 -7.047 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -0.313 10.684 -5.738 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 0.562 12.042 -7.555 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 1.505 12.264 -6.161 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 2.080 11.292 -7.429 1.00 1.00 H new ATOM 992 N GLN A 73 -0.214 6.124 -1.799 1.00 1.00 N ATOM 993 CA GLN A 73 -0.828 6.589 -0.620 1.00 1.00 C ATOM 994 C GLN A 73 -2.210 6.048 -0.544 1.00 1.00 C ATOM 995 O GLN A 73 -3.014 6.734 -0.261 1.00 1.00 O ATOM 996 CB GLN A 73 -1.007 8.297 -0.708 1.00 1.00 C ATOM 997 CG GLN A 73 -0.116 9.031 0.314 1.00 1.00 C ATOM 998 CD GLN A 73 -0.519 8.640 1.728 1.00 1.00 C ATOM 999 OE1 GLN A 73 -1.444 7.860 1.914 1.00 1.00 O ATOM 1000 NE2 GLN A 73 0.137 9.130 2.743 1.00 1.00 N ATOM 0 H GLN A 73 -0.644 5.292 -2.204 1.00 1.00 H new ATOM 0 HA GLN A 73 -0.220 6.285 0.232 1.00 1.00 H new ATOM 0 HB2 GLN A 73 -0.757 8.635 -1.714 1.00 1.00 H new ATOM 0 HB3 GLN A 73 -2.050 8.560 -0.533 1.00 1.00 H new ATOM 0 HG2 GLN A 73 0.931 8.781 0.143 1.00 1.00 H new ATOM 0 HG3 GLN A 73 -0.211 10.109 0.184 1.00 1.00 H new ATOM 0 HE21 GLN A 73 0.908 9.780 2.587 1.00 1.00 H new ATOM 0 HE22 GLN A 73 -0.120 8.863 3.693 1.00 1.00 H new ATOM 1009 N CYS A 74 -2.450 4.821 -0.692 1.00 1.00 N ATOM 1010 CA CYS A 74 -4.066 4.330 -0.456 1.00 1.00 C ATOM 1011 C CYS A 74 -4.054 3.435 0.672 1.00 1.00 C ATOM 1012 O CYS A 74 -3.342 3.745 1.568 1.00 1.00 O ATOM 1013 CB CYS A 74 -4.645 3.751 -1.772 1.00 1.00 C ATOM 1014 SG CYS A 74 -5.121 5.115 -3.068 1.00 1.00 S ATOM 0 H CYS A 74 -1.778 4.094 -0.938 1.00 1.00 H new ATOM 0 HA CYS A 74 -4.742 5.151 -0.219 1.00 1.00 H new ATOM 0 HB2 CYS A 74 -3.913 3.077 -2.217 1.00 1.00 H new ATOM 0 HB3 CYS A 74 -5.528 3.155 -1.541 1.00 1.00 H new ATOM 1019 N ASP A 75 -4.841 2.220 0.736 1.00 1.00 N ATOM 1020 CA ASP A 75 -4.735 1.368 2.036 1.00 1.00 C ATOM 1021 C ASP A 75 -4.162 -0.013 1.737 1.00 1.00 C ATOM 1022 O ASP A 75 -2.962 -0.243 1.875 1.00 1.00 O ATOM 1023 CB ASP A 75 -6.200 1.417 2.686 1.00 1.00 C ATOM 1024 CG ASP A 75 -6.396 0.469 3.790 1.00 1.00 C ATOM 1025 OD1 ASP A 75 -6.013 0.776 4.886 1.00 1.00 O ATOM 1026 OD2 ASP A 75 -6.958 -0.500 3.554 1.00 1.00 O ATOM 0 H ASP A 75 -5.462 1.865 0.009 1.00 1.00 H new ATOM 0 HA ASP A 75 -4.025 1.753 2.768 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -6.391 2.427 3.050 1.00 1.00 H new ATOM 0 HB3 ASP A 75 -6.938 1.213 1.910 1.00 1.00 H new ATOM 1031 N GLY A 76 -4.961 -0.849 1.329 1.00 1.00 N ATOM 1032 CA GLY A 76 -4.572 -2.186 0.967 1.00 1.00 C ATOM 1033 C GLY A 76 -5.459 -2.638 -0.080 1.00 1.00 C ATOM 1034 O GLY A 76 -5.693 -1.935 -0.929 1.00 1.00 O ATOM 0 H GLY A 76 -5.958 -0.664 1.215 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -3.537 -2.203 0.624 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -4.633 -2.848 1.831 1.00 1.00 H new ATOM 1038 N ALA A 77 -5.958 -3.885 0.038 1.00 1.00 N ATOM 1039 CA ALA A 77 -6.900 -4.532 -0.932 1.00 1.00 C ATOM 1040 C ALA A 77 -7.345 -3.635 -2.100 1.00 1.00 C ATOM 1041 O ALA A 77 -8.478 -3.751 -2.571 1.00 1.00 O ATOM 1042 CB ALA A 77 -8.082 -4.884 -0.176 1.00 1.00 C ATOM 0 H ALA A 77 -5.720 -4.493 0.822 1.00 1.00 H new ATOM 0 HA ALA A 77 -6.377 -5.376 -1.381 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -8.807 -5.362 -0.835 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -7.810 -5.573 0.624 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -8.521 -3.983 0.254 1.00 1.00 H new ATOM 1048 N ARG A 78 -6.499 -2.710 -2.514 1.00 1.00 N ATOM 1049 CA ARG A 78 -6.803 -1.784 -3.514 1.00 1.00 C ATOM 1050 C ARG A 78 -5.671 -1.759 -4.568 1.00 1.00 C ATOM 1051 O ARG A 78 -4.554 -1.989 -4.251 1.00 1.00 O ATOM 1052 CB ARG A 78 -6.887 -0.484 -2.911 1.00 1.00 C ATOM 1053 CG ARG A 78 -8.033 -0.464 -1.848 1.00 1.00 C ATOM 1054 CD ARG A 78 -8.320 0.942 -1.511 1.00 1.00 C ATOM 1055 NE ARG A 78 -8.939 1.637 -2.665 1.00 1.00 N ATOM 1056 CZ ARG A 78 -10.267 1.883 -2.725 1.00 1.00 C ATOM 1057 NH1 ARG A 78 -11.065 1.452 -1.782 1.00 1.00 N ATOM 1058 NH2 ARG A 78 -10.758 2.543 -3.738 1.00 1.00 N ATOM 0 H ARG A 78 -5.559 -2.605 -2.132 1.00 1.00 H new ATOM 0 HA ARG A 78 -7.743 -2.057 -3.994 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -5.938 -0.230 -2.440 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -7.075 0.270 -3.676 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -8.925 -0.951 -2.241 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -7.735 -1.016 -0.957 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -8.988 0.987 -0.651 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -7.398 1.449 -1.225 1.00 1.00 H new ATOM 0 HE ARG A 78 -8.345 1.939 -3.437 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -10.686 0.926 -0.994 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -12.066 1.642 -1.835 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -10.140 2.871 -4.481 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -11.759 2.731 -3.787 1.00 1.00 H new ATOM 1072 N THR A 79 -5.972 -1.414 -5.767 1.00 1.00 N ATOM 1073 CA THR A 79 -4.925 -1.318 -6.818 1.00 1.00 C ATOM 1074 C THR A 79 -5.064 -0.065 -7.511 1.00 1.00 C ATOM 1075 O THR A 79 -5.844 0.002 -8.303 1.00 1.00 O ATOM 1076 CB THR A 79 -5.092 -2.394 -7.748 1.00 1.00 C ATOM 1077 OG1 THR A 79 -4.777 -3.631 -7.114 1.00 1.00 O ATOM 1078 CG2 THR A 79 -4.161 -2.150 -8.901 1.00 1.00 C ATOM 0 H THR A 79 -6.916 -1.187 -6.081 1.00 1.00 H new ATOM 0 HA THR A 79 -3.937 -1.377 -6.361 1.00 1.00 H new ATOM 0 HB THR A 79 -6.123 -2.443 -8.100 1.00 1.00 H new ATOM 0 HG1 THR A 79 -4.894 -4.365 -7.753 1.00 1.00 H new ATOM 0 HG21 THR A 79 -4.265 -2.955 -9.629 1.00 1.00 H new ATOM 0 HG22 THR A 79 -4.408 -1.199 -9.373 1.00 1.00 H new ATOM 0 HG23 THR A 79 -3.133 -2.119 -8.539 1.00 1.00 H new ATOM 1086 N CYS A 80 -4.327 1.070 -7.129 1.00 1.00 N ATOM 1087 CA CYS A 80 -4.665 2.304 -7.820 1.00 1.00 C ATOM 1088 C CYS A 80 -4.706 2.161 -9.262 1.00 1.00 C ATOM 1089 O CYS A 80 -3.948 2.777 -10.012 1.00 1.00 O ATOM 1090 CB CYS A 80 -3.893 3.706 -7.464 1.00 1.00 C ATOM 1091 SG CYS A 80 -4.445 4.594 -5.960 1.00 1.00 S ATOM 0 H CYS A 80 -3.589 1.115 -6.426 1.00 1.00 H new ATOM 0 HA CYS A 80 -5.652 2.439 -7.378 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -2.829 3.491 -7.361 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -4.001 4.379 -8.315 1.00 1.00 H new ATOM 1136 N PHE A 85 -3.091 0.759 -4.911 1.00 1.00 N ATOM 1137 CA PHE A 85 -3.448 1.711 -4.052 1.00 1.00 C ATOM 1138 C PHE A 85 -4.960 1.905 -4.225 1.00 1.00 C ATOM 1139 O PHE A 85 -5.651 1.711 -3.339 1.00 1.00 O ATOM 1140 CB PHE A 85 -2.514 2.944 -4.214 1.00 1.00 C ATOM 1141 CG PHE A 85 -1.171 2.760 -3.358 1.00 1.00 C ATOM 1142 CD1 PHE A 85 -1.197 2.336 -1.982 1.00 1.00 C ATOM 1143 CD2 PHE A 85 0.066 3.014 -3.958 1.00 1.00 C ATOM 1144 CE1 PHE A 85 -0.008 2.186 -1.280 1.00 1.00 C ATOM 1145 CE2 PHE A 85 1.254 2.859 -3.230 1.00 1.00 C ATOM 1146 CZ PHE A 85 1.215 2.448 -1.899 1.00 1.00 C ATOM 0 HA PHE A 85 -3.306 1.462 -3.000 1.00 1.00 H new ATOM 0 HB2 PHE A 85 -2.264 3.080 -5.266 1.00 1.00 H new ATOM 0 HB3 PHE A 85 -3.035 3.845 -3.891 1.00 1.00 H new ATOM 0 HD1 PHE A 85 -2.140 2.135 -1.496 1.00 1.00 H new ATOM 0 HD2 PHE A 85 0.107 3.332 -4.989 1.00 1.00 H new ATOM 0 HE1 PHE A 85 -0.030 1.865 -0.249 1.00 1.00 H new ATOM 0 HE2 PHE A 85 2.204 3.059 -3.703 1.00 1.00 H new ATOM 0 HZ PHE A 85 2.135 2.332 -1.345 1.00 1.00 H new ATOM 1156 N CYS A 86 -5.410 2.405 -5.339 1.00 1.00 N ATOM 1157 CA CYS A 86 -6.976 2.688 -5.516 1.00 1.00 C ATOM 1158 C CYS A 86 -7.697 2.198 -6.709 1.00 1.00 C ATOM 1159 O CYS A 86 -7.649 2.764 -7.804 1.00 1.00 O ATOM 1160 CB CYS A 86 -7.350 4.150 -5.344 1.00 1.00 C ATOM 1161 SG CYS A 86 -6.287 5.195 -6.375 1.00 1.00 S ATOM 0 H CYS A 86 -4.832 2.644 -6.145 1.00 1.00 H new ATOM 0 HA CYS A 86 -7.317 2.052 -4.699 1.00 1.00 H new ATOM 0 HB2 CYS A 86 -8.394 4.300 -5.617 1.00 1.00 H new ATOM 0 HB3 CYS A 86 -7.250 4.438 -4.297 1.00 1.00 H new ATOM 1166 N GLN A 87 -8.473 1.142 -6.419 1.00 1.00 N ATOM 1167 CA GLN A 87 -9.275 0.537 -7.289 1.00 1.00 C ATOM 1168 C GLN A 87 -10.088 -0.522 -6.523 1.00 1.00 C ATOM 1169 O GLN A 87 -11.318 -0.491 -6.511 1.00 1.00 O ATOM 1170 CB GLN A 87 -8.448 -0.025 -8.344 1.00 1.00 C ATOM 1171 CG GLN A 87 -9.243 -0.939 -9.236 1.00 1.00 C ATOM 1172 CD GLN A 87 -9.454 -2.316 -8.574 1.00 1.00 C ATOM 1173 OE1 GLN A 87 -8.489 -2.997 -8.233 1.00 1.00 O ATOM 1174 NE2 GLN A 87 -10.666 -2.755 -8.381 1.00 1.00 N ATOM 0 H GLN A 87 -8.501 0.722 -5.490 1.00 1.00 H new ATOM 0 HA GLN A 87 -9.984 1.219 -7.758 1.00 1.00 H new ATOM 0 HB2 GLN A 87 -8.016 0.780 -8.938 1.00 1.00 H new ATOM 0 HB3 GLN A 87 -7.618 -0.576 -7.903 1.00 1.00 H new ATOM 0 HG2 GLN A 87 -10.210 -0.486 -9.457 1.00 1.00 H new ATOM 0 HG3 GLN A 87 -8.725 -1.065 -10.187 1.00 1.00 H new ATOM 0 HE21 GLN A 87 -11.465 -2.188 -8.665 1.00 1.00 H new ATOM 0 HE22 GLN A 87 -10.815 -3.665 -7.946 1.00 1.00 H new ATOM 1183 N GLY A 88 -9.384 -1.458 -5.920 1.00 1.00 N ATOM 1184 CA GLY A 88 -10.036 -2.573 -5.161 1.00 1.00 C ATOM 1185 C GLY A 88 -11.004 -2.118 -4.005 1.00 1.00 C ATOM 1186 O GLY A 88 -12.067 -1.556 -4.263 1.00 1.00 O ATOM 0 H GLY A 88 -8.365 -1.493 -5.924 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -10.598 -3.189 -5.863 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -9.257 -3.205 -4.734 1.00 1.00 H new ATOM 1190 N THR A 89 -10.650 -2.513 -2.720 1.00 1.00 N ATOM 1191 CA THR A 89 -11.561 -2.273 -1.540 1.00 1.00 C ATOM 1192 C THR A 89 -10.927 -1.774 -0.239 1.00 1.00 C ATOM 1193 O THR A 89 -11.263 -0.707 0.241 1.00 1.00 O ATOM 1194 CB THR A 89 -12.253 -3.681 -1.265 1.00 1.00 C ATOM 1195 OG1 THR A 89 -13.515 -3.703 -1.918 1.00 1.00 O ATOM 1196 CG2 THR A 89 -12.475 -3.981 0.289 1.00 1.00 C ATOM 0 H THR A 89 -9.774 -2.980 -2.488 1.00 1.00 H new ATOM 0 HA THR A 89 -12.226 -1.455 -1.815 1.00 1.00 H new ATOM 0 HB THR A 89 -11.583 -4.450 -1.649 1.00 1.00 H new ATOM 0 HG1 THR A 89 -13.951 -4.566 -1.758 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.950 -4.955 0.407 1.00 1.00 H new ATOM 0 HG22 THR A 89 -11.512 -3.982 0.800 1.00 1.00 H new ATOM 0 HG23 THR A 89 -13.114 -3.211 0.721 1.00 1.00 H new ATOM 1204 N ALA A 90 -10.138 -2.620 0.328 1.00 1.00 N ATOM 1205 CA ALA A 90 -9.515 -2.418 1.680 1.00 1.00 C ATOM 1206 C ALA A 90 -10.247 -3.307 2.686 1.00 1.00 C ATOM 1207 O ALA A 90 -11.412 -3.085 3.020 1.00 1.00 O ATOM 1208 CB ALA A 90 -9.592 -1.040 2.188 1.00 1.00 C ATOM 0 H ALA A 90 -9.875 -3.504 -0.108 1.00 1.00 H new ATOM 0 HA ALA A 90 -8.460 -2.665 1.565 1.00 1.00 H new ATOM 0 HB1 ALA A 90 -9.118 -0.987 3.168 1.00 1.00 H new ATOM 0 HB2 ALA A 90 -9.078 -0.369 1.499 1.00 1.00 H new ATOM 0 HB3 ALA A 90 -10.637 -0.742 2.273 1.00 1.00 H new ATOM 1214 N GLY A 91 -9.546 -4.207 3.175 1.00 1.00 N ATOM 1215 CA GLY A 91 -10.109 -5.194 4.323 1.00 1.00 C ATOM 1216 C GLY A 91 -8.959 -5.869 5.421 1.00 1.00 C ATOM 1217 O GLY A 91 -9.356 -6.362 6.474 1.00 1.00 O ATOM 0 H GLY A 91 -8.582 -4.391 2.898 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -10.850 -4.646 4.905 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -10.632 -6.016 3.834 1.00 1.00 H new ATOM 1221 N HIS A 92 -7.606 -5.765 5.141 1.00 1.00 N ATOM 1222 CA HIS A 92 -6.460 -6.270 6.161 1.00 1.00 C ATOM 1223 C HIS A 92 -6.513 -7.715 6.626 1.00 1.00 C ATOM 1224 O HIS A 92 -7.536 -8.127 7.180 1.00 1.00 O ATOM 1225 CB HIS A 92 -6.576 -5.399 7.542 1.00 1.00 C ATOM 1226 CG HIS A 92 -7.445 -6.090 8.620 1.00 1.00 C ATOM 1227 ND1 HIS A 92 -8.797 -5.819 8.764 1.00 1.00 N ATOM 1228 CD2 HIS A 92 -7.143 -7.016 9.584 1.00 1.00 C ATOM 1229 CE1 HIS A 92 -9.254 -6.571 9.784 1.00 1.00 C ATOM 1230 NE2 HIS A 92 -8.284 -7.319 10.318 1.00 1.00 N ATOM 0 H HIS A 92 -7.242 -5.365 4.277 1.00 1.00 H new ATOM 0 HA HIS A 92 -5.546 -6.150 5.580 1.00 1.00 H new ATOM 0 HB2 HIS A 92 -5.577 -5.228 7.943 1.00 1.00 H new ATOM 0 HB3 HIS A 92 -6.999 -4.421 7.314 1.00 1.00 H new ATOM 0 HD1 HIS A 92 -9.345 -5.169 8.201 1.00 1.00 H new ATOM 0 HD2 HIS A 92 -6.166 -7.446 9.749 1.00 1.00 H new ATOM 0 HE1 HIS A 92 -10.278 -6.570 10.128 1.00 1.00 H new ATOM 1239 N ALA A 93 -5.475 -8.510 6.438 1.00 1.00 N ATOM 1240 CA ALA A 93 -5.552 -9.985 6.952 1.00 1.00 C ATOM 1241 C ALA A 93 -4.729 -10.118 8.263 1.00 1.00 C ATOM 1242 O ALA A 93 -3.514 -10.219 8.241 1.00 1.00 O ATOM 1243 CB ALA A 93 -5.003 -11.049 5.842 1.00 1.00 C ATOM 0 H ALA A 93 -4.604 -8.246 5.977 1.00 1.00 H new ATOM 0 HA ALA A 93 -6.599 -10.221 7.140 1.00 1.00 H new ATOM 0 HB1 ALA A 93 -5.075 -12.061 6.241 1.00 1.00 H new ATOM 0 HB2 ALA A 93 -5.605 -10.973 4.936 1.00 1.00 H new ATOM 0 HB3 ALA A 93 -3.963 -10.825 5.607 1.00 1.00 H new ATOM 1249 N ALA A 94 -5.427 -10.122 9.388 1.00 1.00 N ATOM 1250 CA ALA A 94 -4.766 -10.244 10.687 1.00 1.00 C ATOM 1251 C ALA A 94 -3.967 -11.548 10.754 1.00 1.00 C ATOM 1252 O ALA A 94 -4.483 -12.507 11.303 1.00 1.00 O ATOM 1253 CB ALA A 94 -5.825 -10.222 11.835 1.00 1.00 C ATOM 0 H ALA A 94 -6.443 -10.043 9.433 1.00 1.00 H new ATOM 0 HA ALA A 94 -4.086 -9.401 10.809 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -5.321 -10.314 12.797 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -6.377 -9.283 11.803 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -6.517 -11.054 11.708 1.00 1.00 H new