USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 359 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 Single : A 1 ALA N :NH3+ -118:sc= 0.0842 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 82:sc= -0.711 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 100:sc= -2.27! USER MOD Single : A 16 ASN : amide:sc= -0.0198 K(o=-0.02,f=-1.4!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -2.18! C(o=-2.2!,f=-2.9!) USER MOD Single : A 25 LYS NZ :NH3+ 178:sc= -4.22 (180deg=-4.35) USER MOD Single : A 28 ASN : amide:sc= -5! K(o=-5!,f=-1.4) USER MOD Single : A 43 LYS NZ :NH3+ -119:sc= -0.161 (180deg=-3.1!) USER MOD Single : A 46 SER OG : rot -169:sc= -2.16! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -128:sc= 1.03 USER MOD Single : A 53 ASN : amide:sc= -1.13 K(o=-1.1,f=-7.7!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 95:sc= 0.238 USER MOD Single : A 59 ASN : amide:sc= -0.277 K(o=-0.28,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.256 -13.727 -4.197 1.00 0.00 N ATOM 2 CA ALA A 1 3.373 -13.464 -3.031 1.00 0.00 C ATOM 3 C ALA A 1 1.978 -13.031 -3.484 1.00 0.00 C ATOM 4 O ALA A 1 1.772 -12.695 -4.651 1.00 0.00 O ATOM 5 CB ALA A 1 3.996 -12.405 -2.129 1.00 0.00 C ATOM 0 H1 ALA A 1 4.552 -14.724 -4.190 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.739 -13.525 -5.077 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.096 -13.116 -4.141 1.00 0.00 H new ATOM 0 HA ALA A 1 3.268 -14.390 -2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.340 -12.220 -1.278 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.964 -12.755 -1.772 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.129 -11.481 -2.691 1.00 0.00 H new ATOM 13 N PRO A 2 1.003 -13.035 -2.560 1.00 0.00 N ATOM 14 CA PRO A 2 -0.386 -12.644 -2.852 1.00 0.00 C ATOM 15 C PRO A 2 -0.485 -11.294 -3.550 1.00 0.00 C ATOM 16 O PRO A 2 0.474 -10.524 -3.592 1.00 0.00 O ATOM 17 CB PRO A 2 -1.046 -12.640 -1.456 1.00 0.00 C ATOM 18 CG PRO A 2 0.080 -12.625 -0.485 1.00 0.00 C ATOM 19 CD PRO A 2 1.172 -13.402 -1.143 1.00 0.00 C ATOM 0 HA PRO A 2 -0.876 -13.321 -3.552 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.687 -11.768 -1.327 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.673 -13.520 -1.316 1.00 0.00 H new ATOM 0 HG2 PRO A 2 0.398 -11.606 -0.266 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -0.211 -13.079 0.463 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.155 -13.123 -0.764 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.062 -14.475 -0.984 1.00 0.00 H new ATOM 24 N TRP A 3 -1.654 -11.023 -4.096 1.00 0.00 N ATOM 25 CA TRP A 3 -1.903 -9.797 -4.842 1.00 0.00 C ATOM 26 C TRP A 3 -3.198 -9.143 -4.392 1.00 0.00 C ATOM 27 O TRP A 3 -4.036 -9.765 -3.738 1.00 0.00 O ATOM 28 CB TRP A 3 -1.959 -10.138 -6.330 1.00 0.00 C ATOM 29 CG TRP A 3 -3.182 -10.890 -6.702 1.00 0.00 C ATOM 30 CD1 TRP A 3 -3.378 -12.239 -6.728 1.00 0.00 C ATOM 31 CD2 TRP A 3 -4.393 -10.296 -7.089 1.00 0.00 C ATOM 32 NE1 TRP A 3 -4.668 -12.511 -7.118 1.00 0.00 N ATOM 33 CE2 TRP A 3 -5.314 -11.318 -7.351 1.00 0.00 C ATOM 34 CE3 TRP A 3 -4.771 -8.979 -7.238 1.00 0.00 C ATOM 35 CZ2 TRP A 3 -6.619 -11.041 -7.761 1.00 0.00 C ATOM 36 CZ3 TRP A 3 -6.037 -8.700 -7.636 1.00 0.00 C ATOM 37 CH2 TRP A 3 -6.963 -9.718 -7.898 1.00 0.00 C ATOM 0 H TRP A 3 -2.461 -11.644 -4.037 1.00 0.00 H new ATOM 0 HA TRP A 3 -1.098 -9.086 -4.656 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -1.914 -9.217 -6.911 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -1.081 -10.727 -6.596 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -2.633 -12.981 -6.480 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -5.077 -13.440 -7.218 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -4.070 -8.182 -7.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -7.327 -11.832 -7.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -6.338 -7.670 -7.754 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -7.963 -9.459 -8.213 1.00 0.00 H new ATOM 47 N ALA A 4 -3.347 -7.867 -4.751 1.00 0.00 N ATOM 48 CA ALA A 4 -4.531 -7.127 -4.363 1.00 0.00 C ATOM 49 C ALA A 4 -4.888 -5.990 -5.319 1.00 0.00 C ATOM 50 O ALA A 4 -4.054 -5.528 -6.099 1.00 0.00 O ATOM 51 CB ALA A 4 -4.350 -6.540 -2.970 1.00 0.00 C ATOM 0 H ALA A 4 -2.670 -7.338 -5.301 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.348 -7.848 -4.388 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.246 -5.986 -2.689 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -4.182 -7.345 -2.255 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -3.492 -5.868 -2.967 1.00 0.00 H new ATOM 57 N THR A 5 -6.132 -5.550 -5.244 1.00 0.00 N ATOM 58 CA THR A 5 -6.612 -4.430 -6.041 1.00 0.00 C ATOM 59 C THR A 5 -7.043 -3.364 -5.089 1.00 0.00 C ATOM 60 O THR A 5 -7.889 -3.607 -4.228 1.00 0.00 O ATOM 61 CB THR A 5 -7.812 -4.761 -6.948 1.00 0.00 C ATOM 62 OG1 THR A 5 -7.613 -6.010 -7.611 1.00 0.00 O ATOM 63 CG2 THR A 5 -8.026 -3.655 -7.987 1.00 0.00 C ATOM 0 H THR A 5 -6.838 -5.957 -4.631 1.00 0.00 H new ATOM 0 HA THR A 5 -5.796 -4.132 -6.700 1.00 0.00 H new ATOM 0 HB THR A 5 -8.699 -4.832 -6.318 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.858 -6.743 -7.008 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.878 -3.908 -8.618 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.219 -2.710 -7.478 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.133 -3.559 -8.605 1.00 0.00 H new ATOM 71 N ALA A 6 -6.489 -2.181 -5.213 1.00 0.00 N ATOM 72 CA ALA A 6 -6.844 -1.101 -4.322 1.00 0.00 C ATOM 73 C ALA A 6 -8.357 -0.912 -4.240 1.00 0.00 C ATOM 74 O ALA A 6 -9.137 -1.545 -4.948 1.00 0.00 O ATOM 75 CB ALA A 6 -6.160 0.177 -4.765 1.00 0.00 C ATOM 0 H ALA A 6 -5.793 -1.942 -5.919 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.500 -1.358 -3.320 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.431 0.988 -4.089 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.079 0.036 -4.747 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.477 0.427 -5.778 1.00 0.00 H new ATOM 81 N GLU A 7 -8.735 -0.074 -3.302 1.00 0.00 N ATOM 82 CA GLU A 7 -10.145 0.239 -3.089 1.00 0.00 C ATOM 83 C GLU A 7 -10.408 1.745 -3.026 1.00 0.00 C ATOM 84 O GLU A 7 -11.550 2.195 -3.111 1.00 0.00 O ATOM 85 CB GLU A 7 -10.641 -0.395 -1.789 1.00 0.00 C ATOM 86 CG GLU A 7 -10.798 -1.904 -1.871 1.00 0.00 C ATOM 87 CD GLU A 7 -11.053 -2.537 -0.517 1.00 0.00 C ATOM 88 OE1 GLU A 7 -10.454 -2.073 0.476 1.00 0.00 O ATOM 89 OE2 GLU A 7 -11.852 -3.494 -0.449 1.00 0.00 O ATOM 0 H GLU A 7 -8.094 0.407 -2.671 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.684 -0.169 -3.944 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.943 -0.153 -0.987 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.600 0.048 -1.521 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.623 -2.144 -2.542 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.897 -2.336 -2.306 1.00 0.00 H new ATOM 94 N TYR A 8 -9.334 2.513 -2.878 1.00 0.00 N ATOM 95 CA TYR A 8 -9.395 3.960 -2.777 1.00 0.00 C ATOM 96 C TYR A 8 -8.092 4.560 -3.263 1.00 0.00 C ATOM 97 O TYR A 8 -7.034 3.953 -3.092 1.00 0.00 O ATOM 98 CB TYR A 8 -9.590 4.295 -1.314 1.00 0.00 C ATOM 99 CG TYR A 8 -10.792 3.602 -0.753 1.00 0.00 C ATOM 100 CD1 TYR A 8 -12.043 4.187 -0.830 1.00 0.00 C ATOM 101 CD2 TYR A 8 -10.680 2.347 -0.186 1.00 0.00 C ATOM 102 CE1 TYR A 8 -13.156 3.540 -0.352 1.00 0.00 C ATOM 103 CE2 TYR A 8 -11.784 1.691 0.300 1.00 0.00 C ATOM 104 CZ TYR A 8 -13.027 2.288 0.215 1.00 0.00 C ATOM 105 OH TYR A 8 -14.138 1.634 0.696 1.00 0.00 O ATOM 0 H TYR A 8 -8.386 2.140 -2.825 1.00 0.00 H new ATOM 0 HA TYR A 8 -10.208 4.359 -3.383 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.704 4.003 -0.751 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.702 5.373 -1.197 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -12.146 5.167 -1.272 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.710 1.875 -0.124 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.127 4.008 -0.419 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.681 0.713 0.747 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.873 0.764 1.061 1.00 0.00 H new ATOM 114 N ASP A 9 -8.142 5.731 -3.865 1.00 0.00 N ATOM 115 CA ASP A 9 -6.942 6.408 -4.353 1.00 0.00 C ATOM 116 C ASP A 9 -6.019 6.646 -3.169 1.00 0.00 C ATOM 117 O ASP A 9 -6.054 7.702 -2.543 1.00 0.00 O ATOM 118 CB ASP A 9 -7.357 7.731 -4.994 1.00 0.00 C ATOM 119 CG ASP A 9 -7.921 7.551 -6.390 1.00 0.00 C ATOM 120 OD1 ASP A 9 -8.128 6.390 -6.802 1.00 0.00 O ATOM 121 OD2 ASP A 9 -8.156 8.571 -7.070 1.00 0.00 O ATOM 0 H ASP A 9 -9.008 6.244 -4.033 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.420 5.807 -5.098 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.103 8.217 -4.365 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.494 8.396 -5.038 1.00 0.00 H new ATOM 125 N TYR A 10 -5.182 5.652 -2.868 1.00 0.00 N ATOM 126 CA TYR A 10 -4.293 5.744 -1.714 1.00 0.00 C ATOM 127 C TYR A 10 -3.081 6.612 -2.010 1.00 0.00 C ATOM 128 O TYR A 10 -2.379 6.396 -2.998 1.00 0.00 O ATOM 129 CB TYR A 10 -3.853 4.361 -1.251 1.00 0.00 C ATOM 130 CG TYR A 10 -2.886 4.400 -0.098 1.00 0.00 C ATOM 131 CD1 TYR A 10 -3.176 5.125 1.051 1.00 0.00 C ATOM 132 CD2 TYR A 10 -1.678 3.724 -0.163 1.00 0.00 C ATOM 133 CE1 TYR A 10 -2.285 5.174 2.104 1.00 0.00 C ATOM 134 CE2 TYR A 10 -0.785 3.766 0.886 1.00 0.00 C ATOM 135 CZ TYR A 10 -1.091 4.490 2.015 1.00 0.00 C ATOM 136 OH TYR A 10 -0.191 4.539 3.052 1.00 0.00 O ATOM 0 H TYR A 10 -5.103 4.786 -3.401 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.857 6.216 -0.909 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.732 3.786 -0.960 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.391 3.836 -2.087 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.113 5.658 1.121 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.433 3.156 -1.048 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.521 5.744 2.991 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.152 3.232 0.822 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.267 3.723 3.590 1.00 0.00 H new ATOM 145 N ASP A 11 -2.846 7.599 -1.155 1.00 0.00 N ATOM 146 CA ASP A 11 -1.699 8.470 -1.351 1.00 0.00 C ATOM 147 C ASP A 11 -0.690 8.391 -0.179 1.00 0.00 C ATOM 148 O ASP A 11 -0.491 9.370 0.540 1.00 0.00 O ATOM 149 CB ASP A 11 -2.252 9.886 -1.509 1.00 0.00 C ATOM 150 CG ASP A 11 -1.207 10.982 -1.388 1.00 0.00 C ATOM 151 OD1 ASP A 11 -0.233 10.962 -2.169 1.00 0.00 O ATOM 152 OD2 ASP A 11 -1.364 11.859 -0.512 1.00 0.00 O ATOM 0 H ASP A 11 -3.420 7.812 -0.339 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.140 8.161 -2.234 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.737 9.968 -2.482 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.022 10.049 -0.755 1.00 0.00 H new ATOM 156 N ALA A 12 -0.087 7.198 0.008 1.00 0.00 N ATOM 157 CA ALA A 12 0.953 6.928 1.034 1.00 0.00 C ATOM 158 C ALA A 12 1.104 8.044 2.080 1.00 0.00 C ATOM 159 O ALA A 12 1.846 9.005 1.870 1.00 0.00 O ATOM 160 CB ALA A 12 2.269 6.697 0.313 1.00 0.00 C ATOM 0 H ALA A 12 -0.310 6.379 -0.557 1.00 0.00 H new ATOM 0 HA ALA A 12 0.644 6.048 1.599 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.053 6.496 1.043 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.171 5.844 -0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.529 7.585 -0.263 1.00 0.00 H new ATOM 166 N ALA A 13 0.400 7.911 3.194 1.00 0.00 N ATOM 167 CA ALA A 13 0.434 8.903 4.274 1.00 0.00 C ATOM 168 C ALA A 13 1.816 9.123 4.956 1.00 0.00 C ATOM 169 O ALA A 13 2.067 10.232 5.428 1.00 0.00 O ATOM 170 CB ALA A 13 -0.581 8.519 5.322 1.00 0.00 C ATOM 0 H ALA A 13 -0.212 7.116 3.381 1.00 0.00 H new ATOM 0 HA ALA A 13 0.203 9.855 3.796 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.564 9.250 6.130 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.575 8.495 4.875 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.339 7.533 5.719 1.00 0.00 H new ATOM 176 N GLU A 14 2.712 8.132 5.028 1.00 0.00 N ATOM 177 CA GLU A 14 3.997 8.342 5.755 1.00 0.00 C ATOM 178 C GLU A 14 5.301 8.378 4.933 1.00 0.00 C ATOM 179 O GLU A 14 6.364 8.561 5.523 1.00 0.00 O ATOM 180 CB GLU A 14 4.206 7.243 6.798 1.00 0.00 C ATOM 181 CG GLU A 14 3.502 7.514 8.117 1.00 0.00 C ATOM 182 CD GLU A 14 3.991 8.783 8.789 1.00 0.00 C ATOM 183 OE1 GLU A 14 5.152 8.801 9.248 1.00 0.00 O ATOM 184 OE2 GLU A 14 3.213 9.756 8.855 1.00 0.00 O ATOM 0 H GLU A 14 2.593 7.207 4.614 1.00 0.00 H new ATOM 0 HA GLU A 14 3.852 9.343 6.161 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.848 6.296 6.393 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.274 7.128 6.983 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.429 7.590 7.943 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.657 6.669 8.788 1.00 0.00 H new ATOM 189 N ASP A 15 5.233 8.187 3.623 1.00 0.00 N ATOM 190 CA ASP A 15 6.417 8.229 2.729 1.00 0.00 C ATOM 191 C ASP A 15 6.776 6.808 2.341 1.00 0.00 C ATOM 192 O ASP A 15 6.737 6.484 1.152 1.00 0.00 O ATOM 193 CB ASP A 15 7.617 8.991 3.311 1.00 0.00 C ATOM 194 CG ASP A 15 8.639 9.357 2.253 1.00 0.00 C ATOM 195 OD1 ASP A 15 8.252 9.483 1.072 1.00 0.00 O ATOM 196 OD2 ASP A 15 9.826 9.518 2.606 1.00 0.00 O ATOM 0 H ASP A 15 4.359 7.997 3.133 1.00 0.00 H new ATOM 0 HA ASP A 15 6.148 8.803 1.842 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.264 9.899 3.801 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.094 8.380 4.077 1.00 0.00 H new ATOM 200 N ASN A 16 7.129 5.935 3.306 1.00 0.00 N ATOM 201 CA ASN A 16 7.432 4.586 2.845 1.00 0.00 C ATOM 202 C ASN A 16 6.180 3.735 2.948 1.00 0.00 C ATOM 203 O ASN A 16 6.144 2.704 3.624 1.00 0.00 O ATOM 204 CB ASN A 16 8.393 4.061 3.923 1.00 0.00 C ATOM 205 CG ASN A 16 9.510 3.223 3.340 1.00 0.00 C ATOM 206 OD1 ASN A 16 9.457 2.814 2.181 1.00 0.00 O ATOM 207 ND2 ASN A 16 10.530 2.966 4.148 1.00 0.00 N ATOM 0 H ASN A 16 7.204 6.118 4.307 1.00 0.00 H new ATOM 0 HA ASN A 16 7.815 4.564 1.825 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.820 4.904 4.467 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.834 3.466 4.645 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.316 2.407 3.816 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.529 3.327 5.102 1.00 0.00 H new ATOM 213 N GLU A 17 5.163 4.166 2.254 1.00 0.00 N ATOM 214 CA GLU A 17 3.989 3.414 1.978 1.00 0.00 C ATOM 215 C GLU A 17 3.951 3.222 0.475 1.00 0.00 C ATOM 216 O GLU A 17 4.753 3.828 -0.236 1.00 0.00 O ATOM 217 CB GLU A 17 2.764 4.124 2.522 1.00 0.00 C ATOM 218 CG GLU A 17 2.583 3.824 4.001 1.00 0.00 C ATOM 219 CD GLU A 17 3.638 4.492 4.855 1.00 0.00 C ATOM 220 OE1 GLU A 17 4.290 5.436 4.362 1.00 0.00 O ATOM 221 OE2 GLU A 17 3.815 4.071 6.017 1.00 0.00 O ATOM 0 H GLU A 17 5.138 5.102 1.848 1.00 0.00 H new ATOM 0 HA GLU A 17 3.996 2.441 2.469 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.864 5.199 2.373 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.879 3.807 1.970 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.596 4.159 4.319 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.620 2.746 4.158 1.00 0.00 H new ATOM 226 N LEU A 18 3.061 2.413 -0.027 1.00 0.00 N ATOM 227 CA LEU A 18 2.908 2.301 -1.462 1.00 0.00 C ATOM 228 C LEU A 18 1.819 3.292 -1.802 1.00 0.00 C ATOM 229 O LEU A 18 1.246 3.920 -0.913 1.00 0.00 O ATOM 230 CB LEU A 18 2.523 0.888 -1.901 1.00 0.00 C ATOM 231 CG LEU A 18 3.407 0.314 -3.012 1.00 0.00 C ATOM 232 CD1 LEU A 18 3.472 -1.195 -2.916 1.00 0.00 C ATOM 233 CD2 LEU A 18 2.898 0.736 -4.381 1.00 0.00 C ATOM 0 H LEU A 18 2.434 1.825 0.523 1.00 0.00 H new ATOM 0 HA LEU A 18 3.845 2.507 -1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.569 0.226 -1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.488 0.895 -2.243 1.00 0.00 H new ATOM 0 HG LEU A 18 4.413 0.713 -2.883 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.105 -1.583 -3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.889 -1.481 -1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.469 -1.609 -3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.542 0.316 -5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.880 0.371 -4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.906 1.824 -4.453 1.00 0.00 H new ATOM 244 N THR A 19 1.534 3.455 -3.072 1.00 0.00 N ATOM 245 CA THR A 19 0.563 4.444 -3.480 1.00 0.00 C ATOM 246 C THR A 19 -0.148 3.969 -4.716 1.00 0.00 C ATOM 247 O THR A 19 0.488 3.620 -5.710 1.00 0.00 O ATOM 248 CB THR A 19 1.240 5.794 -3.755 1.00 0.00 C ATOM 249 OG1 THR A 19 2.661 5.671 -3.621 1.00 0.00 O ATOM 250 CG2 THR A 19 0.717 6.831 -2.784 1.00 0.00 C ATOM 0 H THR A 19 1.955 2.923 -3.834 1.00 0.00 H new ATOM 0 HA THR A 19 -0.156 4.580 -2.672 1.00 0.00 H new ATOM 0 HB THR A 19 1.011 6.106 -4.774 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.083 6.537 -3.800 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.199 7.789 -2.980 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.361 6.935 -2.908 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.936 6.517 -1.763 1.00 0.00 H new ATOM 258 N PHE A 20 -1.460 3.953 -4.667 1.00 0.00 N ATOM 259 CA PHE A 20 -2.216 3.434 -5.787 1.00 0.00 C ATOM 260 C PHE A 20 -3.608 4.041 -5.896 1.00 0.00 C ATOM 261 O PHE A 20 -4.020 4.885 -5.100 1.00 0.00 O ATOM 262 CB PHE A 20 -2.333 1.909 -5.657 1.00 0.00 C ATOM 263 CG PHE A 20 -2.354 1.445 -4.229 1.00 0.00 C ATOM 264 CD1 PHE A 20 -3.454 1.697 -3.429 1.00 0.00 C ATOM 265 CD2 PHE A 20 -1.264 0.791 -3.681 1.00 0.00 C ATOM 266 CE1 PHE A 20 -3.470 1.300 -2.108 1.00 0.00 C ATOM 267 CE2 PHE A 20 -1.270 0.397 -2.357 1.00 0.00 C ATOM 268 CZ PHE A 20 -2.377 0.651 -1.571 1.00 0.00 C ATOM 0 H PHE A 20 -2.019 4.286 -3.881 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.676 3.706 -6.694 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.243 1.576 -6.156 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.496 1.440 -6.174 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.309 2.210 -3.843 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.400 0.587 -4.295 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.337 1.497 -1.495 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.412 -0.108 -1.938 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.387 0.342 -0.536 1.00 0.00 H new ATOM 277 N VAL A 21 -4.305 3.574 -6.911 1.00 0.00 N ATOM 278 CA VAL A 21 -5.685 3.945 -7.165 1.00 0.00 C ATOM 279 C VAL A 21 -6.509 2.676 -7.069 1.00 0.00 C ATOM 280 O VAL A 21 -6.033 1.628 -7.445 1.00 0.00 O ATOM 281 CB VAL A 21 -5.851 4.625 -8.534 1.00 0.00 C ATOM 282 CG1 VAL A 21 -5.513 6.104 -8.431 1.00 0.00 C ATOM 283 CG2 VAL A 21 -4.986 3.945 -9.572 1.00 0.00 C ATOM 0 H VAL A 21 -3.925 2.917 -7.593 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.022 4.677 -6.431 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.891 4.532 -8.847 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.635 6.574 -9.407 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.181 6.581 -7.713 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.481 6.219 -8.099 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.116 4.439 -10.535 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.940 4.007 -9.271 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.277 2.898 -9.659 1.00 0.00 H new ATOM 293 N GLU A 22 -7.712 2.751 -6.521 1.00 0.00 N ATOM 294 CA GLU A 22 -8.579 1.582 -6.312 1.00 0.00 C ATOM 295 C GLU A 22 -8.490 0.479 -7.371 1.00 0.00 C ATOM 296 O GLU A 22 -8.671 -0.700 -7.093 1.00 0.00 O ATOM 297 CB GLU A 22 -10.025 2.032 -6.191 1.00 0.00 C ATOM 298 CG GLU A 22 -10.602 2.584 -7.483 1.00 0.00 C ATOM 299 CD GLU A 22 -10.309 4.059 -7.671 1.00 0.00 C ATOM 300 OE1 GLU A 22 -9.120 4.415 -7.803 1.00 0.00 O ATOM 301 OE2 GLU A 22 -11.269 4.858 -7.687 1.00 0.00 O ATOM 0 H GLU A 22 -8.125 3.628 -6.203 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.208 1.129 -5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.633 1.189 -5.863 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.095 2.796 -5.416 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.194 2.026 -8.326 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.681 2.428 -7.490 1.00 0.00 H new ATOM 306 N ASN A 23 -8.214 0.884 -8.558 1.00 0.00 N ATOM 307 CA ASN A 23 -8.138 -0.100 -9.647 1.00 0.00 C ATOM 308 C ASN A 23 -6.702 -0.458 -10.001 1.00 0.00 C ATOM 309 O ASN A 23 -6.450 -1.125 -11.004 1.00 0.00 O ATOM 310 CB ASN A 23 -8.853 0.405 -10.879 1.00 0.00 C ATOM 311 CG ASN A 23 -10.152 1.116 -10.558 1.00 0.00 C ATOM 312 OD1 ASN A 23 -10.210 2.345 -10.534 1.00 0.00 O ATOM 313 ND2 ASN A 23 -11.203 0.347 -10.309 1.00 0.00 N ATOM 0 H ASN A 23 -8.037 1.853 -8.824 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.630 -1.003 -9.286 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.196 1.086 -11.420 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -9.059 -0.435 -11.543 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -12.104 0.771 -10.087 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.111 -0.668 -10.340 1.00 0.00 H new ATOM 319 N ASP A 24 -5.772 -0.019 -9.184 1.00 0.00 N ATOM 320 CA ASP A 24 -4.377 -0.333 -9.399 1.00 0.00 C ATOM 321 C ASP A 24 -4.089 -1.696 -8.826 1.00 0.00 C ATOM 322 O ASP A 24 -4.412 -1.987 -7.675 1.00 0.00 O ATOM 323 CB ASP A 24 -3.455 0.695 -8.759 1.00 0.00 C ATOM 324 CG ASP A 24 -3.042 1.790 -9.721 1.00 0.00 C ATOM 325 OD1 ASP A 24 -3.494 1.759 -10.884 1.00 0.00 O ATOM 326 OD2 ASP A 24 -2.266 2.678 -9.312 1.00 0.00 O ATOM 0 H ASP A 24 -5.956 0.558 -8.363 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.187 -0.319 -10.472 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.956 1.142 -7.900 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.564 0.193 -8.382 1.00 0.00 H new ATOM 330 N LYS A 25 -3.480 -2.526 -9.635 1.00 0.00 N ATOM 331 CA LYS A 25 -3.152 -3.864 -9.236 1.00 0.00 C ATOM 332 C LYS A 25 -1.947 -3.861 -8.296 1.00 0.00 C ATOM 333 O LYS A 25 -1.031 -3.051 -8.445 1.00 0.00 O ATOM 334 CB LYS A 25 -2.866 -4.676 -10.497 1.00 0.00 C ATOM 335 CG LYS A 25 -2.230 -6.010 -10.233 1.00 0.00 C ATOM 336 CD LYS A 25 -3.243 -7.136 -10.273 1.00 0.00 C ATOM 337 CE LYS A 25 -2.727 -8.339 -9.525 1.00 0.00 C ATOM 338 NZ LYS A 25 -1.675 -9.061 -10.290 1.00 0.00 N ATOM 0 H LYS A 25 -3.200 -2.290 -10.587 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.983 -4.312 -8.692 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.800 -4.831 -11.037 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.213 -4.096 -11.150 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.452 -6.195 -10.974 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.743 -5.994 -9.258 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.183 -6.803 -9.833 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.454 -7.407 -11.308 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.323 -8.022 -8.563 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.554 -9.018 -9.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.323 -9.861 -9.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.076 -9.415 -11.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.889 -8.412 -10.497 1.00 0.00 H new ATOM 348 N ILE A 26 -1.957 -4.778 -7.327 1.00 0.00 N ATOM 349 CA ILE A 26 -0.859 -4.914 -6.379 1.00 0.00 C ATOM 350 C ILE A 26 -0.467 -6.389 -6.277 1.00 0.00 C ATOM 351 O ILE A 26 -1.331 -7.260 -6.303 1.00 0.00 O ATOM 352 CB ILE A 26 -1.264 -4.397 -4.983 1.00 0.00 C ATOM 353 CG1 ILE A 26 -1.742 -2.947 -5.067 1.00 0.00 C ATOM 354 CG2 ILE A 26 -0.095 -4.515 -4.018 1.00 0.00 C ATOM 355 CD1 ILE A 26 -2.786 -2.593 -4.030 1.00 0.00 C ATOM 0 H ILE A 26 -2.720 -5.439 -7.181 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.017 -4.320 -6.735 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.086 -5.009 -4.611 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.885 -2.283 -4.950 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.152 -2.765 -6.060 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.395 -4.147 -3.037 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.206 -5.559 -3.937 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.743 -3.923 -4.387 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.078 -1.550 -4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.660 -3.232 -4.160 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.373 -2.742 -3.032 1.00 0.00 H new ATOM 366 N ILE A 27 0.819 -6.665 -6.153 1.00 0.00 N ATOM 367 CA ILE A 27 1.287 -8.046 -6.085 1.00 0.00 C ATOM 368 C ILE A 27 2.458 -8.193 -5.135 1.00 0.00 C ATOM 369 O ILE A 27 2.980 -7.212 -4.616 1.00 0.00 O ATOM 370 CB ILE A 27 1.625 -8.572 -7.499 1.00 0.00 C ATOM 371 CG1 ILE A 27 2.728 -7.752 -8.163 1.00 0.00 C ATOM 372 CG2 ILE A 27 0.382 -8.589 -8.372 1.00 0.00 C ATOM 373 CD1 ILE A 27 3.453 -8.504 -9.253 1.00 0.00 C ATOM 0 H ILE A 27 1.555 -5.961 -6.097 1.00 0.00 H new ATOM 0 HA ILE A 27 0.480 -8.658 -5.683 1.00 0.00 H new ATOM 0 HB ILE A 27 1.995 -9.591 -7.387 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.294 -6.844 -8.583 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.447 -7.441 -7.405 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.639 -8.962 -9.363 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.369 -9.239 -7.923 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.017 -7.578 -8.457 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.224 -7.866 -9.684 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.915 -9.398 -8.833 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.744 -8.792 -10.029 1.00 0.00 H new ATOM 384 N ASN A 28 2.852 -9.433 -4.908 1.00 0.00 N ATOM 385 CA ASN A 28 3.925 -9.735 -3.989 1.00 0.00 C ATOM 386 C ASN A 28 3.578 -9.183 -2.616 1.00 0.00 C ATOM 387 O ASN A 28 4.400 -8.552 -1.951 1.00 0.00 O ATOM 388 CB ASN A 28 5.267 -9.178 -4.464 1.00 0.00 C ATOM 389 CG ASN A 28 5.740 -9.804 -5.760 1.00 0.00 C ATOM 390 OD1 ASN A 28 6.774 -10.471 -5.801 1.00 0.00 O ATOM 391 ND2 ASN A 28 4.982 -9.590 -6.824 1.00 0.00 N ATOM 0 H ASN A 28 2.438 -10.252 -5.354 1.00 0.00 H new ATOM 0 HA ASN A 28 4.033 -10.818 -3.939 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.180 -8.100 -4.598 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.018 -9.344 -3.691 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.247 -9.985 -7.726 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.133 -9.030 -6.741 1.00 0.00 H new ATOM 397 N ILE A 29 2.334 -9.436 -2.206 1.00 0.00 N ATOM 398 CA ILE A 29 1.817 -8.910 -0.952 1.00 0.00 C ATOM 399 C ILE A 29 2.381 -9.641 0.252 1.00 0.00 C ATOM 400 O ILE A 29 1.640 -10.338 0.947 1.00 0.00 O ATOM 401 CB ILE A 29 0.282 -8.939 -0.936 1.00 0.00 C ATOM 402 CG1 ILE A 29 -0.231 -7.982 -2.013 1.00 0.00 C ATOM 403 CG2 ILE A 29 -0.254 -8.556 0.444 1.00 0.00 C ATOM 404 CD1 ILE A 29 -1.716 -7.758 -1.967 1.00 0.00 C ATOM 0 H ILE A 29 1.668 -10.004 -2.729 1.00 0.00 H new ATOM 0 HA ILE A 29 2.145 -7.873 -0.882 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.072 -9.948 -1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.275 -7.023 -1.905 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.038 -8.375 -2.993 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.344 -8.583 0.432 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.118 -9.261 1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.081 -7.550 0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.005 -7.069 -2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.232 -8.708 -2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.990 -7.335 -1.001 1.00 0.00 H new ATOM 415 N GLU A 30 3.661 -9.518 0.517 1.00 0.00 N ATOM 416 CA GLU A 30 4.181 -10.171 1.703 1.00 0.00 C ATOM 417 C GLU A 30 3.527 -9.605 2.941 1.00 0.00 C ATOM 418 O GLU A 30 2.875 -8.576 2.870 1.00 0.00 O ATOM 419 CB GLU A 30 5.708 -10.101 1.760 1.00 0.00 C ATOM 420 CG GLU A 30 6.383 -10.655 0.516 1.00 0.00 C ATOM 421 CD GLU A 30 7.409 -9.703 -0.066 1.00 0.00 C ATOM 422 OE1 GLU A 30 8.589 -9.785 0.336 1.00 0.00 O ATOM 423 OE2 GLU A 30 7.032 -8.876 -0.922 1.00 0.00 O ATOM 0 H GLU A 30 4.338 -8.998 -0.041 1.00 0.00 H new ATOM 0 HA GLU A 30 3.930 -11.231 1.655 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.012 -9.063 1.898 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.058 -10.654 2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.868 -11.600 0.761 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.626 -10.871 -0.237 1.00 0.00 H new ATOM 428 N PHE A 31 3.728 -10.258 4.076 1.00 0.00 N ATOM 429 CA PHE A 31 3.103 -9.768 5.297 1.00 0.00 C ATOM 430 C PHE A 31 4.129 -9.323 6.318 1.00 0.00 C ATOM 431 O PHE A 31 4.187 -9.836 7.435 1.00 0.00 O ATOM 432 CB PHE A 31 2.163 -10.823 5.886 1.00 0.00 C ATOM 433 CG PHE A 31 1.027 -11.192 4.967 1.00 0.00 C ATOM 434 CD1 PHE A 31 -0.010 -10.298 4.707 1.00 0.00 C ATOM 435 CD2 PHE A 31 0.999 -12.435 4.353 1.00 0.00 C ATOM 436 CE1 PHE A 31 -1.043 -10.644 3.857 1.00 0.00 C ATOM 437 CE2 PHE A 31 -0.035 -12.783 3.504 1.00 0.00 C ATOM 438 CZ PHE A 31 -1.056 -11.887 3.256 1.00 0.00 C ATOM 0 H PHE A 31 4.297 -11.098 4.179 1.00 0.00 H new ATOM 0 HA PHE A 31 2.512 -8.891 5.032 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.737 -11.720 6.121 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.754 -10.451 6.826 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.006 -9.325 5.175 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.795 -13.140 4.540 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.840 -9.942 3.663 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.044 -13.756 3.035 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.864 -12.158 2.593 1.00 0.00 H new ATOM 447 N VAL A 32 4.938 -8.359 5.912 1.00 0.00 N ATOM 448 CA VAL A 32 5.952 -7.782 6.775 1.00 0.00 C ATOM 449 C VAL A 32 5.304 -7.351 8.093 1.00 0.00 C ATOM 450 O VAL A 32 5.949 -7.384 9.141 1.00 0.00 O ATOM 451 CB VAL A 32 6.583 -6.559 6.073 1.00 0.00 C ATOM 452 CG1 VAL A 32 7.358 -6.999 4.842 1.00 0.00 C ATOM 453 CG2 VAL A 32 5.500 -5.556 5.700 1.00 0.00 C ATOM 0 H VAL A 32 4.910 -7.955 4.976 1.00 0.00 H new ATOM 0 HA VAL A 32 6.729 -8.518 6.980 1.00 0.00 H new ATOM 0 HB VAL A 32 7.279 -6.077 6.759 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.797 -6.127 4.358 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.150 -7.687 5.137 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.684 -7.499 4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.954 -4.697 5.206 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.785 -6.027 5.025 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.985 -5.225 6.602 1.00 0.00 H new ATOM 463 N ASP A 33 4.038 -6.951 8.049 1.00 0.00 N ATOM 464 CA ASP A 33 3.308 -6.595 9.262 1.00 0.00 C ATOM 465 C ASP A 33 1.886 -7.153 9.198 1.00 0.00 C ATOM 466 O ASP A 33 1.463 -7.660 8.162 1.00 0.00 O ATOM 467 CB ASP A 33 3.322 -5.089 9.491 1.00 0.00 C ATOM 468 CG ASP A 33 4.192 -4.739 10.679 1.00 0.00 C ATOM 469 OD1 ASP A 33 3.687 -4.796 11.820 1.00 0.00 O ATOM 470 OD2 ASP A 33 5.379 -4.419 10.474 1.00 0.00 O ATOM 0 H ASP A 33 3.496 -6.865 7.189 1.00 0.00 H new ATOM 0 HA ASP A 33 3.808 -7.046 10.120 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.694 -4.584 8.600 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.306 -4.732 9.660 1.00 0.00 H new ATOM 474 N ASP A 34 1.154 -7.076 10.313 1.00 0.00 N ATOM 475 CA ASP A 34 -0.234 -7.536 10.345 1.00 0.00 C ATOM 476 C ASP A 34 -1.122 -6.560 9.572 1.00 0.00 C ATOM 477 O ASP A 34 -1.907 -6.952 8.709 1.00 0.00 O ATOM 478 CB ASP A 34 -0.731 -7.649 11.787 1.00 0.00 C ATOM 479 CG ASP A 34 0.239 -8.402 12.676 1.00 0.00 C ATOM 480 OD1 ASP A 34 0.891 -9.344 12.179 1.00 0.00 O ATOM 481 OD2 ASP A 34 0.346 -8.049 13.869 1.00 0.00 O ATOM 0 H ASP A 34 1.497 -6.702 11.198 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.283 -8.520 9.880 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.891 -6.650 12.193 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.696 -8.155 11.797 1.00 0.00 H new ATOM 485 N ASP A 35 -0.977 -5.279 9.905 1.00 0.00 N ATOM 486 CA ASP A 35 -1.822 -4.230 9.344 1.00 0.00 C ATOM 487 C ASP A 35 -1.304 -3.621 8.049 1.00 0.00 C ATOM 488 O ASP A 35 -2.090 -3.317 7.150 1.00 0.00 O ATOM 489 CB ASP A 35 -2.002 -3.118 10.377 1.00 0.00 C ATOM 490 CG ASP A 35 -3.001 -3.490 11.456 1.00 0.00 C ATOM 491 OD1 ASP A 35 -4.204 -3.602 11.139 1.00 0.00 O ATOM 492 OD2 ASP A 35 -2.580 -3.670 12.618 1.00 0.00 O ATOM 0 H ASP A 35 -0.277 -4.942 10.566 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.768 -4.712 9.097 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.040 -2.894 10.838 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.334 -2.209 9.875 1.00 0.00 H new ATOM 496 N TRP A 36 0.005 -3.435 7.939 1.00 0.00 N ATOM 497 CA TRP A 36 0.571 -2.944 6.689 1.00 0.00 C ATOM 498 C TRP A 36 1.434 -4.027 6.069 1.00 0.00 C ATOM 499 O TRP A 36 2.496 -4.342 6.605 1.00 0.00 O ATOM 500 CB TRP A 36 1.415 -1.690 6.909 1.00 0.00 C ATOM 501 CG TRP A 36 0.605 -0.487 7.251 1.00 0.00 C ATOM 502 CD1 TRP A 36 -0.018 -0.255 8.432 1.00 0.00 C ATOM 503 CD2 TRP A 36 0.318 0.644 6.413 1.00 0.00 C ATOM 504 NE1 TRP A 36 -0.654 0.953 8.404 1.00 0.00 N ATOM 505 CE2 TRP A 36 -0.474 1.522 7.176 1.00 0.00 C ATOM 506 CE3 TRP A 36 0.654 1.009 5.101 1.00 0.00 C ATOM 507 CZ2 TRP A 36 -0.940 2.730 6.683 1.00 0.00 C ATOM 508 CZ3 TRP A 36 0.186 2.221 4.608 1.00 0.00 C ATOM 509 CH2 TRP A 36 -0.603 3.064 5.403 1.00 0.00 C ATOM 0 H TRP A 36 0.682 -3.612 8.681 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.252 -2.686 6.023 1.00 0.00 H new ATOM 0 HB2 TRP A 36 2.130 -1.878 7.710 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.993 -1.486 6.007 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.012 -0.930 9.275 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.179 1.364 9.176 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.263 0.362 4.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.548 3.384 7.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.433 2.517 3.599 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.953 4.000 4.993 1.00 0.00 H new ATOM 519 N TRP A 37 1.010 -4.611 4.949 1.00 0.00 N ATOM 520 CA TRP A 37 1.755 -5.649 4.258 1.00 0.00 C ATOM 521 C TRP A 37 2.557 -4.981 3.169 1.00 0.00 C ATOM 522 O TRP A 37 2.329 -3.810 2.864 1.00 0.00 O ATOM 523 CB TRP A 37 0.786 -6.703 3.699 1.00 0.00 C ATOM 524 CG TRP A 37 -0.485 -6.836 4.467 1.00 0.00 C ATOM 525 CD1 TRP A 37 -0.599 -7.043 5.805 1.00 0.00 C ATOM 526 CD2 TRP A 37 -1.819 -6.785 3.948 1.00 0.00 C ATOM 527 NE1 TRP A 37 -1.915 -7.129 6.158 1.00 0.00 N ATOM 528 CE2 TRP A 37 -2.688 -6.974 5.037 1.00 0.00 C ATOM 529 CE3 TRP A 37 -2.365 -6.598 2.674 1.00 0.00 C ATOM 530 CZ2 TRP A 37 -4.069 -6.984 4.894 1.00 0.00 C ATOM 531 CZ3 TRP A 37 -3.741 -6.607 2.531 1.00 0.00 C ATOM 532 CH2 TRP A 37 -4.579 -6.800 3.637 1.00 0.00 C ATOM 0 H TRP A 37 0.129 -4.370 4.495 1.00 0.00 H new ATOM 0 HA TRP A 37 2.432 -6.171 4.934 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.548 -6.449 2.666 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.289 -7.670 3.682 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.231 -7.127 6.490 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.266 -7.284 7.103 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.724 -6.449 1.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.718 -7.132 5.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -4.175 -6.463 1.553 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -5.650 -6.804 3.495 1.00 0.00 H new ATOM 542 N LEU A 38 3.492 -5.695 2.576 1.00 0.00 N ATOM 543 CA LEU A 38 4.320 -5.112 1.553 1.00 0.00 C ATOM 544 C LEU A 38 3.917 -5.591 0.185 1.00 0.00 C ATOM 545 O LEU A 38 3.424 -6.694 0.026 1.00 0.00 O ATOM 546 CB LEU A 38 5.789 -5.436 1.848 1.00 0.00 C ATOM 547 CG LEU A 38 6.385 -6.600 1.049 1.00 0.00 C ATOM 548 CD1 LEU A 38 6.729 -6.122 -0.349 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.616 -7.154 1.749 1.00 0.00 C ATOM 0 H LEU A 38 3.693 -6.673 2.786 1.00 0.00 H new ATOM 0 HA LEU A 38 4.187 -4.030 1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.385 -4.544 1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.886 -5.661 2.910 1.00 0.00 H new ATOM 0 HG LEU A 38 5.652 -7.404 0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.153 -6.947 -0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.826 -5.764 -0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.455 -5.311 -0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.025 -7.980 1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.366 -6.369 1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.340 -7.511 2.741 1.00 0.00 H new ATOM 560 N GLY A 39 4.182 -4.754 -0.796 1.00 0.00 N ATOM 561 CA GLY A 39 3.776 -5.133 -2.126 1.00 0.00 C ATOM 562 C GLY A 39 4.801 -4.995 -3.227 1.00 0.00 C ATOM 563 O GLY A 39 6.002 -4.840 -3.014 1.00 0.00 O ATOM 0 H GLY A 39 4.652 -3.853 -0.706 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.450 -6.173 -2.096 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.906 -4.534 -2.397 1.00 0.00 H new ATOM 567 N GLU A 40 4.232 -5.063 -4.419 1.00 0.00 N ATOM 568 CA GLU A 40 4.903 -4.922 -5.688 1.00 0.00 C ATOM 569 C GLU A 40 3.778 -4.682 -6.687 1.00 0.00 C ATOM 570 O GLU A 40 2.902 -5.519 -6.792 1.00 0.00 O ATOM 571 CB GLU A 40 5.702 -6.175 -6.040 1.00 0.00 C ATOM 572 CG GLU A 40 6.798 -5.908 -7.048 1.00 0.00 C ATOM 573 CD GLU A 40 7.978 -6.846 -6.895 1.00 0.00 C ATOM 574 OE1 GLU A 40 7.763 -8.076 -6.897 1.00 0.00 O ATOM 575 OE2 GLU A 40 9.118 -6.351 -6.771 1.00 0.00 O ATOM 0 H GLU A 40 3.231 -5.228 -4.526 1.00 0.00 H new ATOM 0 HA GLU A 40 5.630 -4.110 -5.681 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.142 -6.586 -5.132 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.026 -6.932 -6.437 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.391 -6.005 -8.055 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.141 -4.879 -6.941 1.00 0.00 H new ATOM 580 N LEU A 41 3.737 -3.569 -7.389 1.00 0.00 N ATOM 581 CA LEU A 41 2.620 -3.377 -8.309 1.00 0.00 C ATOM 582 C LEU A 41 2.853 -4.107 -9.615 1.00 0.00 C ATOM 583 O LEU A 41 3.849 -3.900 -10.276 1.00 0.00 O ATOM 584 CB LEU A 41 2.309 -1.897 -8.545 1.00 0.00 C ATOM 585 CG LEU A 41 2.053 -1.071 -7.282 1.00 0.00 C ATOM 586 CD1 LEU A 41 2.017 0.413 -7.614 1.00 0.00 C ATOM 587 CD2 LEU A 41 0.752 -1.498 -6.620 1.00 0.00 C ATOM 0 H LEU A 41 4.422 -2.815 -7.352 1.00 0.00 H new ATOM 0 HA LEU A 41 1.740 -3.811 -7.834 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.142 -1.450 -9.088 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.433 -1.825 -9.189 1.00 0.00 H new ATOM 0 HG LEU A 41 2.871 -1.249 -6.584 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.834 0.985 -6.704 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.972 0.713 -8.045 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.219 0.606 -8.331 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.586 -0.900 -5.724 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.075 -1.349 -7.314 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.811 -2.552 -6.347 1.00 0.00 H new ATOM 598 N GLU A 42 1.960 -5.018 -9.957 1.00 0.00 N ATOM 599 CA GLU A 42 2.109 -5.767 -11.191 1.00 0.00 C ATOM 600 C GLU A 42 2.136 -4.818 -12.392 1.00 0.00 C ATOM 601 O GLU A 42 2.851 -5.058 -13.365 1.00 0.00 O ATOM 602 CB GLU A 42 0.986 -6.824 -11.318 1.00 0.00 C ATOM 603 CG GLU A 42 0.193 -6.796 -12.623 1.00 0.00 C ATOM 604 CD GLU A 42 -0.640 -8.045 -12.838 1.00 0.00 C ATOM 605 OE1 GLU A 42 -0.099 -9.156 -12.661 1.00 0.00 O ATOM 606 OE2 GLU A 42 -1.833 -7.910 -13.181 1.00 0.00 O ATOM 0 H GLU A 42 1.135 -5.255 -9.406 1.00 0.00 H new ATOM 0 HA GLU A 42 3.060 -6.299 -11.172 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.429 -7.813 -11.205 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.291 -6.690 -10.489 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.462 -5.925 -12.625 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.883 -6.678 -13.458 1.00 0.00 H new ATOM 611 N LYS A 43 1.352 -3.741 -12.320 1.00 0.00 N ATOM 612 CA LYS A 43 1.267 -2.811 -13.437 1.00 0.00 C ATOM 613 C LYS A 43 2.570 -2.039 -13.675 1.00 0.00 C ATOM 614 O LYS A 43 2.974 -1.863 -14.825 1.00 0.00 O ATOM 615 CB LYS A 43 0.058 -1.872 -13.292 1.00 0.00 C ATOM 616 CG LYS A 43 0.280 -0.669 -12.387 1.00 0.00 C ATOM 617 CD LYS A 43 -0.733 -0.636 -11.250 1.00 0.00 C ATOM 618 CE LYS A 43 -0.196 0.138 -10.065 1.00 0.00 C ATOM 619 NZ LYS A 43 -0.200 1.608 -10.308 1.00 0.00 N ATOM 0 H LYS A 43 0.778 -3.497 -11.513 1.00 0.00 H new ATOM 0 HA LYS A 43 1.112 -3.414 -14.332 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.226 -1.515 -14.282 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.784 -2.446 -12.907 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.289 -0.702 -11.977 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.203 0.248 -12.972 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.660 -0.179 -11.597 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.975 -1.654 -10.944 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.798 -0.085 -9.184 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.820 -0.191 -9.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.773 1.971 -10.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.593 1.803 -11.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.783 2.078 -9.586 1.00 0.00 H new ATOM 629 N ASP A 44 3.236 -1.575 -12.619 1.00 0.00 N ATOM 630 CA ASP A 44 4.479 -0.800 -12.801 1.00 0.00 C ATOM 631 C ASP A 44 5.665 -1.357 -12.006 1.00 0.00 C ATOM 632 O ASP A 44 6.786 -0.861 -12.119 1.00 0.00 O ATOM 633 CB ASP A 44 4.247 0.661 -12.412 1.00 0.00 C ATOM 634 CG ASP A 44 5.433 1.544 -12.752 1.00 0.00 C ATOM 635 OD1 ASP A 44 5.558 1.944 -13.928 1.00 0.00 O ATOM 636 OD2 ASP A 44 6.236 1.835 -11.841 1.00 0.00 O ATOM 0 H ASP A 44 2.952 -1.713 -11.649 1.00 0.00 H new ATOM 0 HA ASP A 44 4.738 -0.879 -13.857 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.360 1.034 -12.924 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.046 0.722 -11.342 1.00 0.00 H new ATOM 640 N GLY A 45 5.412 -2.380 -11.212 1.00 0.00 N ATOM 641 CA GLY A 45 6.474 -2.978 -10.415 1.00 0.00 C ATOM 642 C GLY A 45 6.902 -2.137 -9.227 1.00 0.00 C ATOM 643 O GLY A 45 8.070 -2.167 -8.840 1.00 0.00 O ATOM 0 H GLY A 45 4.495 -2.812 -11.100 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.141 -3.952 -10.056 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.340 -3.153 -11.054 1.00 0.00 H new ATOM 647 N SER A 46 5.977 -1.388 -8.641 1.00 0.00 N ATOM 648 CA SER A 46 6.326 -0.557 -7.493 1.00 0.00 C ATOM 649 C SER A 46 6.185 -1.353 -6.208 1.00 0.00 C ATOM 650 O SER A 46 5.195 -2.049 -6.014 1.00 0.00 O ATOM 651 CB SER A 46 5.446 0.693 -7.443 1.00 0.00 C ATOM 652 OG SER A 46 4.876 0.968 -8.712 1.00 0.00 O ATOM 0 H SER A 46 5.001 -1.337 -8.932 1.00 0.00 H new ATOM 0 HA SER A 46 7.364 -0.241 -7.599 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.654 0.554 -6.707 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.040 1.546 -7.115 1.00 0.00 H new ATOM 0 HG SER A 46 4.464 1.857 -8.700 1.00 0.00 H new ATOM 657 N LYS A 47 7.151 -1.192 -5.303 1.00 0.00 N ATOM 658 CA LYS A 47 7.128 -1.913 -4.036 1.00 0.00 C ATOM 659 C LYS A 47 7.065 -0.954 -2.864 1.00 0.00 C ATOM 660 O LYS A 47 7.647 0.131 -2.902 1.00 0.00 O ATOM 661 CB LYS A 47 8.351 -2.814 -3.853 1.00 0.00 C ATOM 662 CG LYS A 47 8.861 -3.419 -5.151 1.00 0.00 C ATOM 663 CD LYS A 47 10.070 -2.665 -5.682 1.00 0.00 C ATOM 664 CE LYS A 47 10.857 -3.503 -6.676 1.00 0.00 C ATOM 665 NZ LYS A 47 12.262 -3.028 -6.816 1.00 0.00 N ATOM 0 H LYS A 47 7.952 -0.573 -5.425 1.00 0.00 H new ATOM 0 HA LYS A 47 6.234 -2.535 -4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.152 -2.236 -3.392 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.099 -3.618 -3.161 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.126 -4.464 -4.987 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.066 -3.405 -5.897 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.743 -1.742 -6.161 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.717 -2.381 -4.852 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.857 -4.544 -6.353 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.365 -3.470 -7.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.764 -3.626 -7.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.264 -2.043 -7.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.741 -3.083 -5.894 1.00 0.00 H new ATOM 675 N GLY A 48 6.359 -1.358 -1.824 1.00 0.00 N ATOM 676 CA GLY A 48 6.251 -0.550 -0.634 1.00 0.00 C ATOM 677 C GLY A 48 5.185 -1.070 0.297 1.00 0.00 C ATOM 678 O GLY A 48 4.322 -1.844 -0.116 1.00 0.00 O ATOM 0 H GLY A 48 5.853 -2.243 -1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.210 -0.534 -0.116 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.022 0.479 -0.912 1.00 0.00 H new ATOM 682 N LEU A 49 5.237 -0.669 1.554 1.00 0.00 N ATOM 683 CA LEU A 49 4.235 -1.127 2.492 1.00 0.00 C ATOM 684 C LEU A 49 2.954 -0.430 2.167 1.00 0.00 C ATOM 685 O LEU A 49 2.950 0.757 1.863 1.00 0.00 O ATOM 686 CB LEU A 49 4.609 -0.818 3.928 1.00 0.00 C ATOM 687 CG LEU A 49 6.065 -1.030 4.283 1.00 0.00 C ATOM 688 CD1 LEU A 49 6.572 0.140 5.116 1.00 0.00 C ATOM 689 CD2 LEU A 49 6.207 -2.351 5.015 1.00 0.00 C ATOM 0 H LEU A 49 5.944 -0.043 1.940 1.00 0.00 H new ATOM 0 HA LEU A 49 4.145 -2.210 2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.350 0.220 4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.999 -1.438 4.585 1.00 0.00 H new ATOM 0 HG LEU A 49 6.674 -1.072 3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.620 -0.020 5.368 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.472 1.063 4.545 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.986 0.215 6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.253 -2.512 5.275 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.606 -2.329 5.924 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.864 -3.162 4.372 1.00 0.00 H new ATOM 700 N PHE A 50 1.861 -1.141 2.213 1.00 0.00 N ATOM 701 CA PHE A 50 0.594 -0.551 1.876 1.00 0.00 C ATOM 702 C PHE A 50 -0.485 -0.903 2.875 1.00 0.00 C ATOM 703 O PHE A 50 -0.434 -1.940 3.538 1.00 0.00 O ATOM 704 CB PHE A 50 0.167 -0.968 0.471 1.00 0.00 C ATOM 705 CG PHE A 50 -0.076 -2.440 0.327 1.00 0.00 C ATOM 706 CD1 PHE A 50 0.968 -3.303 0.039 1.00 0.00 C ATOM 707 CD2 PHE A 50 -1.351 -2.962 0.477 1.00 0.00 C ATOM 708 CE1 PHE A 50 0.744 -4.660 -0.094 1.00 0.00 C ATOM 709 CE2 PHE A 50 -1.579 -4.315 0.345 1.00 0.00 C ATOM 710 CZ PHE A 50 -0.529 -5.165 0.058 1.00 0.00 C ATOM 0 H PHE A 50 1.821 -2.125 2.479 1.00 0.00 H new ATOM 0 HA PHE A 50 0.726 0.531 1.906 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.743 -0.431 0.203 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.937 -0.665 -0.238 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.967 -2.912 -0.083 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.176 -2.301 0.700 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.566 -5.324 -0.317 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.577 -4.710 0.466 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.706 -6.225 -0.047 1.00 0.00 H new ATOM 719 N PRO A 51 -1.480 -0.023 2.984 1.00 0.00 N ATOM 720 CA PRO A 51 -2.602 -0.198 3.878 1.00 0.00 C ATOM 721 C PRO A 51 -3.336 -1.501 3.670 1.00 0.00 C ATOM 722 O PRO A 51 -2.981 -2.343 2.844 1.00 0.00 O ATOM 723 CB PRO A 51 -3.550 0.950 3.547 1.00 0.00 C ATOM 724 CG PRO A 51 -2.683 1.986 2.936 1.00 0.00 C ATOM 725 CD PRO A 51 -1.602 1.235 2.214 1.00 0.00 C ATOM 0 HA PRO A 51 -2.251 -0.209 4.910 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.333 0.632 2.859 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.046 1.325 4.442 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.249 2.615 2.249 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.262 2.643 3.697 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.871 1.045 1.175 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.665 1.792 2.204 1.00 0.00 H new ATOM 730 N SER A 52 -4.370 -1.607 4.472 1.00 0.00 N ATOM 731 CA SER A 52 -5.183 -2.803 4.286 1.00 0.00 C ATOM 732 C SER A 52 -6.657 -2.532 4.154 1.00 0.00 C ATOM 733 O SER A 52 -7.416 -3.371 3.668 1.00 0.00 O ATOM 734 CB SER A 52 -4.855 -3.845 5.352 1.00 0.00 C ATOM 735 OG SER A 52 -4.442 -3.231 6.560 1.00 0.00 O ATOM 0 H SER A 52 -4.658 -0.951 5.198 1.00 0.00 H new ATOM 0 HA SER A 52 -4.911 -3.220 3.316 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.731 -4.467 5.538 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.067 -4.505 4.989 1.00 0.00 H new ATOM 0 HG SER A 52 -3.592 -3.622 6.851 1.00 0.00 H new ATOM 740 N ASN A 53 -7.067 -1.354 4.589 1.00 0.00 N ATOM 741 CA ASN A 53 -8.436 -0.927 4.466 1.00 0.00 C ATOM 742 C ASN A 53 -8.624 -0.105 3.185 1.00 0.00 C ATOM 743 O ASN A 53 -9.741 0.041 2.689 1.00 0.00 O ATOM 744 CB ASN A 53 -8.853 -0.126 5.700 1.00 0.00 C ATOM 745 CG ASN A 53 -8.206 1.242 5.745 1.00 0.00 C ATOM 746 OD1 ASN A 53 -7.174 1.471 5.117 1.00 0.00 O ATOM 747 ND2 ASN A 53 -8.808 2.158 6.493 1.00 0.00 N ATOM 0 H ASN A 53 -6.455 -0.672 5.036 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.077 -1.806 4.400 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.937 -0.013 5.707 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.585 -0.682 6.598 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.416 3.097 6.564 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.663 1.923 6.997 1.00 0.00 H new ATOM 753 N TYR A 54 -7.504 0.438 2.650 1.00 0.00 N ATOM 754 CA TYR A 54 -7.517 1.224 1.412 1.00 0.00 C ATOM 755 C TYR A 54 -7.504 0.281 0.185 1.00 0.00 C ATOM 756 O TYR A 54 -7.714 0.724 -0.945 1.00 0.00 O ATOM 757 CB TYR A 54 -6.304 2.187 1.318 1.00 0.00 C ATOM 758 CG TYR A 54 -6.547 3.627 1.721 1.00 0.00 C ATOM 759 CD1 TYR A 54 -6.813 3.949 3.041 1.00 0.00 C ATOM 760 CD2 TYR A 54 -6.462 4.674 0.800 1.00 0.00 C ATOM 761 CE1 TYR A 54 -6.997 5.256 3.430 1.00 0.00 C ATOM 762 CE2 TYR A 54 -6.640 5.978 1.186 1.00 0.00 C ATOM 763 CZ TYR A 54 -6.909 6.269 2.496 1.00 0.00 C ATOM 764 OH TYR A 54 -7.094 7.581 2.871 1.00 0.00 O ATOM 0 H TYR A 54 -6.578 0.340 3.067 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.428 1.822 1.423 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.504 1.789 1.942 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -5.941 2.178 0.290 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.877 3.162 3.777 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.252 4.452 -0.236 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -7.210 5.489 4.463 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.568 6.773 0.458 1.00 0.00 H new ATOM 0 HH TYR A 54 -6.996 8.162 2.088 1.00 0.00 H new ATOM 773 N VAL A 55 -7.252 -1.028 0.422 1.00 0.00 N ATOM 774 CA VAL A 55 -7.171 -2.019 -0.667 1.00 0.00 C ATOM 775 C VAL A 55 -7.821 -3.355 -0.316 1.00 0.00 C ATOM 776 O VAL A 55 -7.976 -3.698 0.856 1.00 0.00 O ATOM 777 CB VAL A 55 -5.711 -2.353 -1.033 1.00 0.00 C ATOM 778 CG1 VAL A 55 -4.958 -1.116 -1.471 1.00 0.00 C ATOM 779 CG2 VAL A 55 -5.011 -3.052 0.124 1.00 0.00 C ATOM 0 H VAL A 55 -7.103 -1.417 1.353 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.699 -1.544 -1.494 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.724 -3.040 -1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.932 -1.385 -1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.445 -0.684 -2.346 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.954 -0.387 -0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.982 -3.278 -0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.014 -2.401 0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.535 -3.978 0.360 1.00 0.00 H new ATOM 789 N SER A 56 -8.194 -4.098 -1.346 1.00 0.00 N ATOM 790 CA SER A 56 -8.784 -5.418 -1.186 1.00 0.00 C ATOM 791 C SER A 56 -7.819 -6.482 -1.715 1.00 0.00 C ATOM 792 O SER A 56 -7.325 -6.366 -2.834 1.00 0.00 O ATOM 793 CB SER A 56 -10.085 -5.493 -1.961 1.00 0.00 C ATOM 794 OG SER A 56 -11.072 -6.221 -1.251 1.00 0.00 O ATOM 0 H SER A 56 -8.096 -3.803 -2.317 1.00 0.00 H new ATOM 0 HA SER A 56 -8.979 -5.596 -0.128 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.449 -4.485 -2.161 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.907 -5.966 -2.927 1.00 0.00 H new ATOM 0 HG SER A 56 -11.637 -5.599 -0.746 1.00 0.00 H new ATOM 799 N LEU A 57 -7.591 -7.539 -0.933 1.00 0.00 N ATOM 800 CA LEU A 57 -6.666 -8.591 -1.369 1.00 0.00 C ATOM 801 C LEU A 57 -7.333 -9.549 -2.339 1.00 0.00 C ATOM 802 O LEU A 57 -8.429 -10.051 -2.091 1.00 0.00 O ATOM 803 CB LEU A 57 -6.118 -9.389 -0.187 1.00 0.00 C ATOM 804 CG LEU A 57 -5.156 -8.639 0.739 1.00 0.00 C ATOM 805 CD1 LEU A 57 -4.818 -9.486 1.959 1.00 0.00 C ATOM 806 CD2 LEU A 57 -3.887 -8.276 -0.011 1.00 0.00 C ATOM 0 H LEU A 57 -8.019 -7.690 -0.020 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.841 -8.085 -1.870 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.960 -9.745 0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.606 -10.270 -0.575 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.643 -7.724 1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.133 -8.936 2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.732 -9.714 2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.347 -10.415 1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.210 -7.743 0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.403 -9.185 -0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.136 -7.639 -0.860 1.00 0.00 H new ATOM 817 N GLY A 58 -6.653 -9.795 -3.448 1.00 0.00 N ATOM 818 CA GLY A 58 -7.180 -10.688 -4.461 1.00 0.00 C ATOM 819 C GLY A 58 -6.926 -12.154 -4.136 1.00 0.00 C ATOM 820 O GLY A 58 -7.186 -13.028 -4.964 1.00 0.00 O ATOM 0 H GLY A 58 -5.742 -9.391 -3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.252 -10.523 -4.564 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.727 -10.449 -5.423 1.00 0.00 H new ATOM 824 N ASN A 59 -6.419 -12.428 -2.933 1.00 0.00 N ATOM 825 CA ASN A 59 -6.131 -13.794 -2.516 1.00 0.00 C ATOM 826 C ASN A 59 -6.204 -13.928 -0.999 1.00 0.00 C ATOM 827 O ASN A 59 -6.866 -14.827 -0.485 1.00 0.00 O ATOM 828 CB ASN A 59 -4.747 -14.222 -3.010 1.00 0.00 C ATOM 829 CG ASN A 59 -4.503 -15.707 -2.824 1.00 0.00 C ATOM 830 OD1 ASN A 59 -5.254 -16.389 -2.127 1.00 0.00 O ATOM 831 ND2 ASN A 59 -3.447 -16.217 -3.450 1.00 0.00 N ATOM 0 H ASN A 59 -6.201 -11.719 -2.233 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.885 -14.446 -2.958 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.646 -13.969 -4.065 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.982 -13.660 -2.473 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.233 -17.210 -3.362 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.851 -15.615 -4.018 1.00 0.00 H new