USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 595 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 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 CYS SG : rot -51:sc= -0.177 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -1 K(o=-1,f=-4.2!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -3! K(o=-3!,f=-3.9) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 41:sc= 0.216 USER MOD Single : A 31 GLN : amide:sc= -1.64 K(o=-1.6,f=-2.1!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -5.38! C(o=-5.4!,f=-9.8!) USER MOD Single : A 46 HIS : no HD1:sc= -2.16! C(o=-2.2!,f=-6.2!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.122 K(o=-0.12,f=-2.2!) USER MOD Single : A 56 ASN : amide:sc= -0.0149 X(o=-0.015,f=-0.25) USER MOD Single : A 60 THR OG1 : rot 160:sc= -0.368 USER MOD Single : A 61 LYS NZ :NH3+ -159:sc= -0.0814 (180deg=-0.706) USER MOD Single : A 68 SER OG : rot 130:sc= -0.0078 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 14.237 15.063 5.187 1.00 0.00 N ATOM 2 CA CYS A 1 13.914 15.112 6.641 1.00 0.00 C ATOM 3 C CYS A 1 13.123 13.860 7.026 1.00 0.00 C ATOM 4 O CYS A 1 11.965 13.930 7.385 1.00 0.00 O ATOM 5 CB CYS A 1 13.079 16.360 6.937 1.00 0.00 C ATOM 6 SG CYS A 1 12.746 16.452 8.714 1.00 0.00 S ATOM 0 H1 CYS A 1 14.775 15.913 4.922 1.00 0.00 H new ATOM 0 H2 CYS A 1 14.807 14.216 4.986 1.00 0.00 H new ATOM 0 H3 CYS A 1 13.355 15.026 4.637 1.00 0.00 H new ATOM 0 HA CYS A 1 14.837 15.151 7.220 1.00 0.00 H new ATOM 0 HB2 CYS A 1 13.611 17.253 6.609 1.00 0.00 H new ATOM 0 HB3 CYS A 1 12.142 16.324 6.381 1.00 0.00 H new ATOM 0 HG CYS A 1 12.254 15.320 9.123 1.00 0.00 H new ATOM 14 N SER A 2 13.742 12.714 6.948 1.00 0.00 N ATOM 15 CA SER A 2 13.033 11.452 7.303 1.00 0.00 C ATOM 16 C SER A 2 11.716 11.371 6.527 1.00 0.00 C ATOM 17 O SER A 2 11.673 10.890 5.413 1.00 0.00 O ATOM 18 CB SER A 2 12.748 11.426 8.807 1.00 0.00 C ATOM 19 OG SER A 2 13.957 11.169 9.509 1.00 0.00 O ATOM 0 H SER A 2 14.711 12.597 6.653 1.00 0.00 H new ATOM 0 HA SER A 2 13.660 10.599 7.043 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.325 12.379 9.125 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.010 10.657 9.036 1.00 0.00 H new ATOM 0 HG SER A 2 13.779 11.153 10.473 1.00 0.00 H new ATOM 25 N ASN A 3 10.646 11.843 7.106 1.00 0.00 N ATOM 26 CA ASN A 3 9.332 11.803 6.402 1.00 0.00 C ATOM 27 C ASN A 3 8.976 10.357 6.027 1.00 0.00 C ATOM 28 O ASN A 3 8.752 9.528 6.886 1.00 0.00 O ATOM 29 CB ASN A 3 9.403 12.666 5.142 1.00 0.00 C ATOM 30 CG ASN A 3 7.994 12.865 4.584 1.00 0.00 C ATOM 31 OD1 ASN A 3 7.073 12.172 4.968 1.00 0.00 O ATOM 32 ND2 ASN A 3 7.783 13.789 3.687 1.00 0.00 N ATOM 0 H ASN A 3 10.625 12.256 8.039 1.00 0.00 H new ATOM 0 HA ASN A 3 8.559 12.192 7.065 1.00 0.00 H new ATOM 0 HB2 ASN A 3 9.854 13.631 5.374 1.00 0.00 H new ATOM 0 HB3 ASN A 3 10.038 12.188 4.396 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.846 13.929 3.309 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.555 14.372 3.364 1.00 0.00 H new ATOM 39 N GLU A 4 8.907 10.043 4.755 1.00 0.00 N ATOM 40 CA GLU A 4 8.550 8.648 4.363 1.00 0.00 C ATOM 41 C GLU A 4 8.853 8.410 2.874 1.00 0.00 C ATOM 42 O GLU A 4 8.747 7.303 2.386 1.00 0.00 O ATOM 43 CB GLU A 4 7.058 8.420 4.629 1.00 0.00 C ATOM 44 CG GLU A 4 6.620 7.069 4.046 1.00 0.00 C ATOM 45 CD GLU A 4 5.336 6.600 4.738 1.00 0.00 C ATOM 46 OE1 GLU A 4 5.384 6.358 5.934 1.00 0.00 O ATOM 47 OE2 GLU A 4 4.327 6.489 4.063 1.00 0.00 O ATOM 0 H GLU A 4 9.081 10.685 3.982 1.00 0.00 H new ATOM 0 HA GLU A 4 9.145 7.949 4.952 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.864 8.442 5.701 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.474 9.225 4.182 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.453 7.162 2.973 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.409 6.330 4.183 1.00 0.00 H new ATOM 54 N LYS A 5 9.233 9.427 2.150 1.00 0.00 N ATOM 55 CA LYS A 5 9.544 9.227 0.699 1.00 0.00 C ATOM 56 C LYS A 5 10.927 8.571 0.567 1.00 0.00 C ATOM 57 O LYS A 5 11.636 8.773 -0.398 1.00 0.00 O ATOM 58 CB LYS A 5 9.510 10.584 -0.051 1.00 0.00 C ATOM 59 CG LYS A 5 9.751 11.757 0.916 1.00 0.00 C ATOM 60 CD LYS A 5 11.117 11.636 1.618 1.00 0.00 C ATOM 61 CE LYS A 5 12.256 11.876 0.622 1.00 0.00 C ATOM 62 NZ LYS A 5 13.519 12.115 1.377 1.00 0.00 N ATOM 0 H LYS A 5 9.342 10.381 2.493 1.00 0.00 H new ATOM 0 HA LYS A 5 8.793 8.576 0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.270 10.591 -0.832 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.545 10.707 -0.544 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.704 12.698 0.368 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.958 11.784 1.663 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.179 12.359 2.432 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.217 10.646 2.063 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.368 11.014 -0.036 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.028 12.733 -0.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.298 12.279 0.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.406 12.949 1.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.736 11.284 1.963 1.00 0.00 H new ATOM 76 N ALA A 6 11.312 7.791 1.538 1.00 0.00 N ATOM 77 CA ALA A 6 12.639 7.124 1.479 1.00 0.00 C ATOM 78 C ALA A 6 12.733 6.271 0.210 1.00 0.00 C ATOM 79 O ALA A 6 12.903 6.785 -0.878 1.00 0.00 O ATOM 80 CB ALA A 6 12.814 6.240 2.717 1.00 0.00 C ATOM 0 H ALA A 6 10.762 7.587 2.372 1.00 0.00 H new ATOM 0 HA ALA A 6 13.427 7.877 1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 6 13.786 5.748 2.679 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.754 6.855 3.615 1.00 0.00 H new ATOM 0 HB3 ALA A 6 12.027 5.486 2.740 1.00 0.00 H new ATOM 86 N ARG A 7 12.633 4.971 0.341 1.00 0.00 N ATOM 87 CA ARG A 7 12.724 4.072 -0.856 1.00 0.00 C ATOM 88 C ARG A 7 11.322 3.561 -1.211 1.00 0.00 C ATOM 89 O ARG A 7 11.086 3.061 -2.294 1.00 0.00 O ATOM 90 CB ARG A 7 13.614 2.851 -0.537 1.00 0.00 C ATOM 91 CG ARG A 7 14.829 3.242 0.323 1.00 0.00 C ATOM 92 CD ARG A 7 15.884 3.951 -0.531 1.00 0.00 C ATOM 93 NE ARG A 7 15.395 5.301 -0.925 1.00 0.00 N ATOM 94 CZ ARG A 7 16.241 6.193 -1.359 1.00 0.00 C ATOM 95 NH1 ARG A 7 17.514 5.916 -1.404 1.00 0.00 N ATOM 96 NH2 ARG A 7 15.815 7.367 -1.739 1.00 0.00 N ATOM 0 H ARG A 7 12.492 4.490 1.229 1.00 0.00 H new ATOM 0 HA ARG A 7 13.152 4.635 -1.686 1.00 0.00 H new ATOM 0 HB2 ARG A 7 13.025 2.098 -0.014 1.00 0.00 H new ATOM 0 HB3 ARG A 7 13.957 2.398 -1.467 1.00 0.00 H new ATOM 0 HG2 ARG A 7 14.512 3.895 1.136 1.00 0.00 H new ATOM 0 HG3 ARG A 7 15.261 2.351 0.780 1.00 0.00 H new ATOM 0 HD2 ARG A 7 16.816 4.041 0.028 1.00 0.00 H new ATOM 0 HD3 ARG A 7 16.101 3.360 -1.421 1.00 0.00 H new ATOM 0 HE ARG A 7 14.403 5.527 -0.856 1.00 0.00 H new ATOM 0 HH11 ARG A 7 17.848 5.002 -1.100 1.00 0.00 H new ATOM 0 HH12 ARG A 7 18.176 6.614 -1.744 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.820 7.587 -1.696 1.00 0.00 H new ATOM 0 HH22 ARG A 7 16.477 8.065 -2.078 1.00 0.00 H new ATOM 110 N ASP A 8 10.403 3.654 -0.292 1.00 0.00 N ATOM 111 CA ASP A 8 9.027 3.145 -0.551 1.00 0.00 C ATOM 112 C ASP A 8 8.314 4.009 -1.589 1.00 0.00 C ATOM 113 O ASP A 8 8.740 5.098 -1.923 1.00 0.00 O ATOM 114 CB ASP A 8 8.223 3.174 0.750 1.00 0.00 C ATOM 115 CG ASP A 8 8.981 2.414 1.841 1.00 0.00 C ATOM 116 OD1 ASP A 8 10.025 1.862 1.535 1.00 0.00 O ATOM 117 OD2 ASP A 8 8.504 2.398 2.964 1.00 0.00 O ATOM 0 H ASP A 8 10.546 4.062 0.632 1.00 0.00 H new ATOM 0 HA ASP A 8 9.103 2.126 -0.930 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.054 4.205 1.062 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.243 2.724 0.593 1.00 0.00 H new ATOM 122 N TRP A 9 7.212 3.519 -2.083 1.00 0.00 N ATOM 123 CA TRP A 9 6.416 4.268 -3.095 1.00 0.00 C ATOM 124 C TRP A 9 5.794 5.486 -2.404 1.00 0.00 C ATOM 125 O TRP A 9 4.968 5.345 -1.526 1.00 0.00 O ATOM 126 CB TRP A 9 5.300 3.346 -3.605 1.00 0.00 C ATOM 127 CG TRP A 9 5.868 2.265 -4.485 1.00 0.00 C ATOM 128 CD1 TRP A 9 6.941 1.484 -4.190 1.00 0.00 C ATOM 129 CD2 TRP A 9 5.346 1.764 -5.752 1.00 0.00 C ATOM 130 NE1 TRP A 9 7.155 0.598 -5.232 1.00 0.00 N ATOM 131 CE2 TRP A 9 6.190 0.715 -6.210 1.00 0.00 C ATOM 132 CE3 TRP A 9 4.243 2.130 -6.555 1.00 0.00 C ATOM 133 CZ2 TRP A 9 5.944 0.049 -7.420 1.00 0.00 C ATOM 134 CZ3 TRP A 9 3.989 1.459 -7.771 1.00 0.00 C ATOM 135 CH2 TRP A 9 4.839 0.422 -8.201 1.00 0.00 C ATOM 0 H TRP A 9 6.822 2.613 -1.823 1.00 0.00 H new ATOM 0 HA TRP A 9 7.041 4.590 -3.928 1.00 0.00 H new ATOM 0 HB2 TRP A 9 4.777 2.898 -2.760 1.00 0.00 H new ATOM 0 HB3 TRP A 9 4.566 3.928 -4.162 1.00 0.00 H new ATOM 0 HD1 TRP A 9 7.532 1.545 -3.288 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.932 -0.061 -5.271 1.00 0.00 H new ATOM 0 HE3 TRP A 9 3.589 2.929 -6.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 6.600 -0.744 -7.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 3.139 1.742 -8.374 1.00 0.00 H new ATOM 0 HH2 TRP A 9 4.640 -0.087 -9.133 1.00 0.00 H new ATOM 146 N HIS A 10 6.188 6.675 -2.786 1.00 0.00 N ATOM 147 CA HIS A 10 5.628 7.906 -2.145 1.00 0.00 C ATOM 148 C HIS A 10 4.120 7.752 -1.920 1.00 0.00 C ATOM 149 O HIS A 10 3.477 6.900 -2.502 1.00 0.00 O ATOM 150 CB HIS A 10 5.878 9.111 -3.052 1.00 0.00 C ATOM 151 CG HIS A 10 7.344 9.208 -3.371 1.00 0.00 C ATOM 152 ND1 HIS A 10 8.325 8.896 -2.442 1.00 0.00 N ATOM 153 CD2 HIS A 10 8.013 9.585 -4.510 1.00 0.00 C ATOM 154 CE1 HIS A 10 9.519 9.089 -3.033 1.00 0.00 C ATOM 155 NE2 HIS A 10 9.386 9.509 -4.294 1.00 0.00 N ATOM 0 H HIS A 10 6.877 6.847 -3.518 1.00 0.00 H new ATOM 0 HA HIS A 10 6.119 8.054 -1.183 1.00 0.00 H new ATOM 0 HB2 HIS A 10 5.301 9.012 -3.972 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.541 10.024 -2.561 1.00 0.00 H new ATOM 0 HD2 HIS A 10 7.545 9.894 -5.433 1.00 0.00 H new ATOM 0 HE1 HIS A 10 10.469 8.924 -2.547 1.00 0.00 H new ATOM 0 HE2 HIS A 10 10.130 9.727 -4.956 1.00 0.00 H new ATOM 163 N ARG A 11 3.555 8.569 -1.074 1.00 0.00 N ATOM 164 CA ARG A 11 2.093 8.474 -0.806 1.00 0.00 C ATOM 165 C ARG A 11 1.328 8.602 -2.122 1.00 0.00 C ATOM 166 O ARG A 11 0.277 8.018 -2.306 1.00 0.00 O ATOM 167 CB ARG A 11 1.674 9.603 0.139 1.00 0.00 C ATOM 168 CG ARG A 11 2.288 10.924 -0.333 1.00 0.00 C ATOM 169 CD ARG A 11 1.730 12.074 0.510 1.00 0.00 C ATOM 170 NE ARG A 11 2.158 13.377 -0.076 1.00 0.00 N ATOM 171 CZ ARG A 11 1.551 14.482 0.268 1.00 0.00 C ATOM 172 NH1 ARG A 11 0.559 14.448 1.117 1.00 0.00 N ATOM 173 NH2 ARG A 11 1.936 15.623 -0.239 1.00 0.00 N ATOM 0 H ARG A 11 4.044 9.299 -0.556 1.00 0.00 H new ATOM 0 HA ARG A 11 1.868 7.512 -0.345 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.587 9.684 0.165 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.001 9.381 1.155 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.374 10.886 -0.243 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.061 11.087 -1.387 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.642 12.019 0.544 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.086 11.991 1.537 1.00 0.00 H new ATOM 0 HE ARG A 11 2.926 13.406 -0.747 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.257 13.558 1.513 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.087 15.312 1.384 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.710 15.651 -0.903 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.463 16.486 0.029 1.00 0.00 H new ATOM 187 N ALA A 12 1.848 9.367 -3.043 1.00 0.00 N ATOM 188 CA ALA A 12 1.161 9.541 -4.352 1.00 0.00 C ATOM 189 C ALA A 12 1.587 8.422 -5.301 1.00 0.00 C ATOM 190 O ALA A 12 0.860 8.055 -6.195 1.00 0.00 O ATOM 191 CB ALA A 12 1.540 10.894 -4.953 1.00 0.00 C ATOM 0 H ALA A 12 2.723 9.881 -2.943 1.00 0.00 H new ATOM 0 HA ALA A 12 0.082 9.502 -4.205 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.036 11.020 -5.911 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.235 11.691 -4.275 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.619 10.937 -5.102 1.00 0.00 H new ATOM 197 N ASP A 13 2.754 7.868 -5.113 1.00 0.00 N ATOM 198 CA ASP A 13 3.194 6.766 -6.014 1.00 0.00 C ATOM 199 C ASP A 13 2.313 5.556 -5.747 1.00 0.00 C ATOM 200 O ASP A 13 2.136 4.698 -6.588 1.00 0.00 O ATOM 201 CB ASP A 13 4.652 6.413 -5.733 1.00 0.00 C ATOM 202 CG ASP A 13 5.550 7.579 -6.151 1.00 0.00 C ATOM 203 OD1 ASP A 13 5.101 8.394 -6.939 1.00 0.00 O ATOM 204 OD2 ASP A 13 6.673 7.636 -5.676 1.00 0.00 O ATOM 0 H ASP A 13 3.416 8.128 -4.382 1.00 0.00 H new ATOM 0 HA ASP A 13 3.107 7.076 -7.055 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.787 6.198 -4.673 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.931 5.512 -6.279 1.00 0.00 H new ATOM 209 N VAL A 14 1.740 5.499 -4.582 1.00 0.00 N ATOM 210 CA VAL A 14 0.851 4.362 -4.244 1.00 0.00 C ATOM 211 C VAL A 14 -0.512 4.588 -4.892 1.00 0.00 C ATOM 212 O VAL A 14 -0.977 3.791 -5.679 1.00 0.00 O ATOM 213 CB VAL A 14 0.685 4.290 -2.722 1.00 0.00 C ATOM 214 CG1 VAL A 14 -0.397 3.268 -2.365 1.00 0.00 C ATOM 215 CG2 VAL A 14 2.014 3.878 -2.084 1.00 0.00 C ATOM 0 H VAL A 14 1.851 6.196 -3.846 1.00 0.00 H new ATOM 0 HA VAL A 14 1.282 3.430 -4.609 1.00 0.00 H new ATOM 0 HB VAL A 14 0.388 5.269 -2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.510 3.221 -1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.343 3.567 -2.816 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.109 2.287 -2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.897 3.826 -1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.312 2.901 -2.464 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.780 4.613 -2.332 1.00 0.00 H new ATOM 225 N ILE A 15 -1.161 5.666 -4.556 1.00 0.00 N ATOM 226 CA ILE A 15 -2.506 5.930 -5.136 1.00 0.00 C ATOM 227 C ILE A 15 -2.380 6.337 -6.607 1.00 0.00 C ATOM 228 O ILE A 15 -3.075 5.822 -7.453 1.00 0.00 O ATOM 229 CB ILE A 15 -3.201 7.048 -4.351 1.00 0.00 C ATOM 230 CG1 ILE A 15 -3.151 6.742 -2.837 1.00 0.00 C ATOM 231 CG2 ILE A 15 -4.662 7.136 -4.807 1.00 0.00 C ATOM 232 CD1 ILE A 15 -3.304 8.035 -2.034 1.00 0.00 C ATOM 0 H ILE A 15 -0.820 6.374 -3.906 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.100 5.018 -5.071 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.693 7.994 -4.536 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.946 6.044 -2.573 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.207 6.259 -2.587 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.168 7.928 -4.256 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.698 7.357 -5.874 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.161 6.186 -4.616 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.267 7.808 -0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.494 8.719 -2.287 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.260 8.501 -2.273 1.00 0.00 H new ATOM 244 N ALA A 16 -1.512 7.256 -6.930 1.00 0.00 N ATOM 245 CA ALA A 16 -1.379 7.658 -8.362 1.00 0.00 C ATOM 246 C ALA A 16 -1.087 6.413 -9.202 1.00 0.00 C ATOM 247 O ALA A 16 -1.692 6.186 -10.230 1.00 0.00 O ATOM 248 CB ALA A 16 -0.243 8.670 -8.526 1.00 0.00 C ATOM 0 H ALA A 16 -0.897 7.741 -6.277 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.308 8.122 -8.695 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.157 8.954 -9.575 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.455 9.555 -7.926 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.694 8.222 -8.194 1.00 0.00 H new ATOM 254 N GLY A 17 -0.161 5.605 -8.762 1.00 0.00 N ATOM 255 CA GLY A 17 0.185 4.370 -9.522 1.00 0.00 C ATOM 256 C GLY A 17 -1.015 3.426 -9.551 1.00 0.00 C ATOM 257 O GLY A 17 -1.446 2.984 -10.597 1.00 0.00 O ATOM 0 H GLY A 17 0.373 5.748 -7.905 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.480 4.629 -10.539 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.038 3.874 -9.059 1.00 0.00 H new ATOM 261 N LEU A 18 -1.558 3.109 -8.408 1.00 0.00 N ATOM 262 CA LEU A 18 -2.731 2.192 -8.367 1.00 0.00 C ATOM 263 C LEU A 18 -3.905 2.863 -9.084 1.00 0.00 C ATOM 264 O LEU A 18 -4.406 2.373 -10.076 1.00 0.00 O ATOM 265 CB LEU A 18 -3.118 1.933 -6.901 1.00 0.00 C ATOM 266 CG LEU A 18 -2.141 0.941 -6.246 1.00 0.00 C ATOM 267 CD1 LEU A 18 -2.195 1.098 -4.726 1.00 0.00 C ATOM 268 CD2 LEU A 18 -2.546 -0.499 -6.585 1.00 0.00 C ATOM 0 H LEU A 18 -1.239 3.446 -7.500 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.485 1.248 -8.854 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.115 2.872 -6.348 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.132 1.537 -6.852 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.138 1.147 -6.619 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.503 0.395 -4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.914 2.116 -4.455 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.207 0.895 -4.375 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.848 -1.193 -6.117 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.553 -0.691 -6.214 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.525 -0.638 -7.666 1.00 0.00 H new ATOM 280 N LYS A 19 -4.336 3.982 -8.581 1.00 0.00 N ATOM 281 CA LYS A 19 -5.474 4.706 -9.210 1.00 0.00 C ATOM 282 C LYS A 19 -5.180 4.921 -10.697 1.00 0.00 C ATOM 283 O LYS A 19 -6.044 5.303 -11.461 1.00 0.00 O ATOM 284 CB LYS A 19 -5.650 6.056 -8.507 1.00 0.00 C ATOM 285 CG LYS A 19 -6.960 6.724 -8.948 1.00 0.00 C ATOM 286 CD LYS A 19 -7.110 8.091 -8.255 1.00 0.00 C ATOM 287 CE LYS A 19 -7.735 7.915 -6.865 1.00 0.00 C ATOM 288 NZ LYS A 19 -7.912 9.252 -6.229 1.00 0.00 N ATOM 0 H LYS A 19 -3.946 4.432 -7.753 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.390 4.124 -9.112 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.654 5.912 -7.426 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.807 6.707 -8.739 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.967 6.852 -10.030 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.807 6.085 -8.698 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.135 8.570 -8.165 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.734 8.748 -8.862 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.697 7.409 -6.948 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.097 7.286 -6.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.336 9.135 -5.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.987 9.718 -6.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.537 9.837 -6.819 1.00 0.00 H new ATOM 302 N LYS A 20 -3.973 4.663 -11.127 1.00 0.00 N ATOM 303 CA LYS A 20 -3.661 4.845 -12.573 1.00 0.00 C ATOM 304 C LYS A 20 -4.666 4.036 -13.372 1.00 0.00 C ATOM 305 O LYS A 20 -5.012 4.368 -14.489 1.00 0.00 O ATOM 306 CB LYS A 20 -2.244 4.357 -12.886 1.00 0.00 C ATOM 307 CG LYS A 20 -1.851 4.808 -14.301 1.00 0.00 C ATOM 308 CD LYS A 20 -0.658 3.978 -14.815 1.00 0.00 C ATOM 309 CE LYS A 20 -1.150 2.672 -15.453 1.00 0.00 C ATOM 310 NZ LYS A 20 0.002 1.962 -16.079 1.00 0.00 N ATOM 0 H LYS A 20 -3.199 4.338 -10.547 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.720 5.902 -12.833 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.540 4.757 -12.156 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.197 3.271 -12.812 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.700 4.694 -14.975 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.590 5.866 -14.293 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.092 4.556 -15.545 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.020 3.755 -13.991 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.615 2.038 -14.698 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.911 2.885 -16.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.330 1.076 -16.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.427 2.567 -16.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.714 1.746 -15.352 1.00 0.00 H new ATOM 324 N ARG A 21 -5.171 2.998 -12.776 1.00 0.00 N ATOM 325 CA ARG A 21 -6.196 2.171 -13.441 1.00 0.00 C ATOM 326 C ARG A 21 -7.534 2.701 -12.941 1.00 0.00 C ATOM 327 O ARG A 21 -8.052 3.673 -13.450 1.00 0.00 O ATOM 328 CB ARG A 21 -6.014 0.707 -13.022 1.00 0.00 C ATOM 329 CG ARG A 21 -4.683 0.173 -13.582 1.00 0.00 C ATOM 330 CD ARG A 21 -4.353 -1.220 -12.991 1.00 0.00 C ATOM 331 NE ARG A 21 -2.891 -1.305 -12.665 1.00 0.00 N ATOM 332 CZ ARG A 21 -1.977 -0.890 -13.507 1.00 0.00 C ATOM 333 NH1 ARG A 21 -2.306 -0.504 -14.709 1.00 0.00 N ATOM 334 NH2 ARG A 21 -0.720 -0.904 -13.155 1.00 0.00 N ATOM 0 H ARG A 21 -4.909 2.686 -11.841 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.129 2.219 -14.528 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.022 0.625 -11.935 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.844 0.106 -13.393 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.742 0.107 -14.668 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.879 0.871 -13.348 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.945 -1.393 -12.092 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.621 -2.000 -13.704 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.602 -1.695 -11.768 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.283 -0.523 -15.001 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.586 -0.183 -15.356 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.454 -1.237 -12.228 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.004 -0.582 -13.807 1.00 0.00 H new ATOM 348 N LYS A 22 -8.072 2.105 -11.920 1.00 0.00 N ATOM 349 CA LYS A 22 -9.347 2.617 -11.342 1.00 0.00 C ATOM 350 C LYS A 22 -9.420 2.192 -9.875 1.00 0.00 C ATOM 351 O LYS A 22 -10.396 1.617 -9.435 1.00 0.00 O ATOM 352 CB LYS A 22 -10.553 2.070 -12.113 1.00 0.00 C ATOM 353 CG LYS A 22 -10.605 2.700 -13.512 1.00 0.00 C ATOM 354 CD LYS A 22 -11.997 2.506 -14.117 1.00 0.00 C ATOM 355 CE LYS A 22 -12.373 1.025 -14.075 1.00 0.00 C ATOM 356 NZ LYS A 22 -13.539 0.786 -14.971 1.00 0.00 N ATOM 0 H LYS A 22 -7.685 1.283 -11.457 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.370 3.704 -11.418 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.482 0.985 -12.195 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.473 2.289 -11.571 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.370 3.763 -13.451 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.852 2.243 -14.155 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.730 3.093 -13.564 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.011 2.866 -15.146 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.527 0.414 -14.390 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.617 0.729 -13.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.797 -0.221 -14.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.346 1.359 -14.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.289 1.054 -15.944 1.00 0.00 H new ATOM 370 N LEU A 23 -8.380 2.457 -9.124 1.00 0.00 N ATOM 371 CA LEU A 23 -8.350 2.057 -7.681 1.00 0.00 C ATOM 372 C LEU A 23 -8.241 3.287 -6.777 1.00 0.00 C ATOM 373 O LEU A 23 -7.667 4.297 -7.132 1.00 0.00 O ATOM 374 CB LEU A 23 -7.111 1.203 -7.423 1.00 0.00 C ATOM 375 CG LEU A 23 -7.052 -0.005 -8.363 1.00 0.00 C ATOM 376 CD1 LEU A 23 -5.842 -0.862 -7.973 1.00 0.00 C ATOM 377 CD2 LEU A 23 -8.334 -0.838 -8.233 1.00 0.00 C ATOM 0 H LEU A 23 -7.542 2.938 -9.451 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.269 1.512 -7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.216 1.811 -7.554 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.114 0.860 -6.388 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.960 0.334 -9.395 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.782 -1.728 -8.632 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.931 -0.271 -8.068 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.951 -1.197 -6.942 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.281 -1.694 -8.906 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.437 -1.189 -7.206 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.195 -0.223 -8.495 1.00 0.00 H new ATOM 389 N SER A 24 -8.767 3.178 -5.590 1.00 0.00 N ATOM 390 CA SER A 24 -8.689 4.291 -4.603 1.00 0.00 C ATOM 391 C SER A 24 -8.696 3.669 -3.205 1.00 0.00 C ATOM 392 O SER A 24 -9.502 2.809 -2.920 1.00 0.00 O ATOM 393 CB SER A 24 -9.890 5.225 -4.763 1.00 0.00 C ATOM 394 OG SER A 24 -11.089 4.489 -4.557 1.00 0.00 O ATOM 0 H SER A 24 -9.257 2.348 -5.256 1.00 0.00 H new ATOM 0 HA SER A 24 -7.783 4.876 -4.761 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.826 6.045 -4.047 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.889 5.670 -5.758 1.00 0.00 H new ATOM 0 HG SER A 24 -11.860 5.085 -4.657 1.00 0.00 H new ATOM 400 N LEU A 25 -7.803 4.062 -2.337 1.00 0.00 N ATOM 401 CA LEU A 25 -7.784 3.446 -0.972 1.00 0.00 C ATOM 402 C LEU A 25 -9.206 3.401 -0.392 1.00 0.00 C ATOM 403 O LEU A 25 -9.554 2.505 0.348 1.00 0.00 O ATOM 404 CB LEU A 25 -6.877 4.265 -0.042 1.00 0.00 C ATOM 405 CG LEU A 25 -5.415 4.206 -0.538 1.00 0.00 C ATOM 406 CD1 LEU A 25 -4.653 5.442 -0.054 1.00 0.00 C ATOM 407 CD2 LEU A 25 -4.722 2.948 0.010 1.00 0.00 C ATOM 0 H LEU A 25 -7.093 4.774 -2.507 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.398 2.430 -1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.217 5.300 -0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.940 3.877 0.975 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.418 4.176 -1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.623 5.395 -0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.130 6.340 -0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.663 5.472 1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.692 2.916 -0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.729 2.974 1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.253 2.061 -0.335 1.00 0.00 H new ATOM 419 N SER A 26 -10.032 4.354 -0.711 1.00 0.00 N ATOM 420 CA SER A 26 -11.419 4.339 -0.160 1.00 0.00 C ATOM 421 C SER A 26 -12.191 3.142 -0.722 1.00 0.00 C ATOM 422 O SER A 26 -13.075 2.606 -0.083 1.00 0.00 O ATOM 423 CB SER A 26 -12.133 5.636 -0.538 1.00 0.00 C ATOM 424 OG SER A 26 -11.604 6.703 0.237 1.00 0.00 O ATOM 0 H SER A 26 -9.813 5.139 -1.325 1.00 0.00 H new ATOM 0 HA SER A 26 -11.372 4.254 0.926 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.001 5.842 -1.600 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.205 5.540 -0.363 1.00 0.00 H new ATOM 0 HG SER A 26 -12.058 7.538 -0.003 1.00 0.00 H new ATOM 430 N ALA A 27 -11.870 2.718 -1.913 1.00 0.00 N ATOM 431 CA ALA A 27 -12.589 1.557 -2.514 1.00 0.00 C ATOM 432 C ALA A 27 -12.017 0.244 -1.961 1.00 0.00 C ATOM 433 O ALA A 27 -12.747 -0.636 -1.553 1.00 0.00 O ATOM 434 CB ALA A 27 -12.424 1.593 -4.037 1.00 0.00 C ATOM 0 H ALA A 27 -11.140 3.125 -2.498 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.647 1.616 -2.260 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -12.948 0.746 -4.480 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.841 2.522 -4.426 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.365 1.537 -4.290 1.00 0.00 H new ATOM 440 N LEU A 28 -10.721 0.107 -1.936 1.00 0.00 N ATOM 441 CA LEU A 28 -10.117 -1.150 -1.406 1.00 0.00 C ATOM 442 C LEU A 28 -10.502 -1.305 0.068 1.00 0.00 C ATOM 443 O LEU A 28 -10.625 -2.400 0.576 1.00 0.00 O ATOM 444 CB LEU A 28 -8.574 -1.108 -1.519 1.00 0.00 C ATOM 445 CG LEU A 28 -8.126 -0.319 -2.753 1.00 0.00 C ATOM 446 CD1 LEU A 28 -6.601 -0.200 -2.749 1.00 0.00 C ATOM 447 CD2 LEU A 28 -8.572 -1.049 -4.018 1.00 0.00 C ATOM 0 H LEU A 28 -10.054 0.808 -2.258 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.490 -1.991 -1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.154 -0.653 -0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.184 -2.124 -1.573 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.574 0.675 -2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.278 0.361 -3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.279 0.320 -1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.158 -1.196 -2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.252 -0.486 -4.895 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.124 -2.043 -4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.658 -1.140 -4.022 1.00 0.00 H new ATOM 459 N SER A 29 -10.686 -0.216 0.756 1.00 0.00 N ATOM 460 CA SER A 29 -11.046 -0.296 2.199 1.00 0.00 C ATOM 461 C SER A 29 -12.454 -0.881 2.366 1.00 0.00 C ATOM 462 O SER A 29 -12.646 -1.895 3.009 1.00 0.00 O ATOM 463 CB SER A 29 -11.021 1.107 2.800 1.00 0.00 C ATOM 464 OG SER A 29 -11.672 1.087 4.065 1.00 0.00 O ATOM 0 H SER A 29 -10.603 0.729 0.382 1.00 0.00 H new ATOM 0 HA SER A 29 -10.328 -0.940 2.707 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.992 1.449 2.913 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.519 1.810 2.133 1.00 0.00 H new ATOM 0 HG SER A 29 -11.423 0.272 4.548 1.00 0.00 H new ATOM 470 N ARG A 30 -13.443 -0.229 1.815 1.00 0.00 N ATOM 471 CA ARG A 30 -14.844 -0.723 1.957 1.00 0.00 C ATOM 472 C ARG A 30 -15.066 -2.007 1.145 1.00 0.00 C ATOM 473 O ARG A 30 -16.019 -2.727 1.367 1.00 0.00 O ATOM 474 CB ARG A 30 -15.814 0.360 1.481 1.00 0.00 C ATOM 475 CG ARG A 30 -15.624 0.600 -0.020 1.00 0.00 C ATOM 476 CD ARG A 30 -16.295 1.917 -0.425 1.00 0.00 C ATOM 477 NE ARG A 30 -16.579 1.897 -1.888 1.00 0.00 N ATOM 478 CZ ARG A 30 -17.396 2.775 -2.403 1.00 0.00 C ATOM 479 NH1 ARG A 30 -17.951 3.674 -1.639 1.00 0.00 N ATOM 480 NH2 ARG A 30 -17.658 2.753 -3.681 1.00 0.00 N ATOM 0 H ARG A 30 -13.341 0.628 1.271 1.00 0.00 H new ATOM 0 HA ARG A 30 -15.024 -0.951 3.008 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -16.841 0.056 1.683 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -15.641 1.285 2.032 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -14.561 0.634 -0.260 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -16.053 -0.226 -0.587 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -17.220 2.054 0.135 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -15.647 2.759 -0.180 1.00 0.00 H new ATOM 0 HE ARG A 30 -16.136 1.199 -2.485 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -17.747 3.691 -0.640 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -18.590 4.361 -2.040 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -17.224 2.049 -4.278 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -18.297 3.440 -4.083 1.00 0.00 H new ATOM 494 N GLN A 31 -14.212 -2.305 0.202 1.00 0.00 N ATOM 495 CA GLN A 31 -14.414 -3.540 -0.609 1.00 0.00 C ATOM 496 C GLN A 31 -14.275 -4.777 0.288 1.00 0.00 C ATOM 497 O GLN A 31 -14.890 -5.796 0.044 1.00 0.00 O ATOM 498 CB GLN A 31 -13.370 -3.585 -1.740 1.00 0.00 C ATOM 499 CG GLN A 31 -13.891 -2.821 -2.968 1.00 0.00 C ATOM 500 CD GLN A 31 -12.726 -2.479 -3.900 1.00 0.00 C ATOM 501 OE1 GLN A 31 -12.783 -1.510 -4.629 1.00 0.00 O ATOM 502 NE2 GLN A 31 -11.665 -3.239 -3.908 1.00 0.00 N ATOM 0 H GLN A 31 -13.390 -1.752 -0.040 1.00 0.00 H new ATOM 0 HA GLN A 31 -15.413 -3.532 -1.044 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.433 -3.145 -1.399 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.157 -4.620 -2.009 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -14.627 -3.425 -3.498 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.396 -1.908 -2.652 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.616 -4.053 -3.296 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.884 -3.019 -4.526 1.00 0.00 H new ATOM 511 N PHE A 32 -13.474 -4.697 1.324 1.00 0.00 N ATOM 512 CA PHE A 32 -13.292 -5.873 2.241 1.00 0.00 C ATOM 513 C PHE A 32 -14.052 -5.629 3.549 1.00 0.00 C ATOM 514 O PHE A 32 -14.464 -6.561 4.211 1.00 0.00 O ATOM 515 CB PHE A 32 -11.799 -6.068 2.533 1.00 0.00 C ATOM 516 CG PHE A 32 -11.131 -6.647 1.308 1.00 0.00 C ATOM 517 CD1 PHE A 32 -10.667 -5.795 0.291 1.00 0.00 C ATOM 518 CD2 PHE A 32 -10.993 -8.042 1.175 1.00 0.00 C ATOM 519 CE1 PHE A 32 -10.064 -6.334 -0.861 1.00 0.00 C ATOM 520 CE2 PHE A 32 -10.387 -8.583 0.025 1.00 0.00 C ATOM 521 CZ PHE A 32 -9.923 -7.729 -0.995 1.00 0.00 C ATOM 0 H PHE A 32 -12.937 -3.868 1.576 1.00 0.00 H new ATOM 0 HA PHE A 32 -13.685 -6.771 1.763 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -11.340 -5.116 2.798 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -11.666 -6.734 3.385 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.773 -4.725 0.394 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.352 -8.697 1.955 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.709 -5.678 -1.642 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.278 -9.653 -0.075 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.460 -8.143 -1.878 1.00 0.00 H new ATOM 531 N GLY A 33 -14.254 -4.384 3.919 1.00 0.00 N ATOM 532 CA GLY A 33 -15.006 -4.073 5.179 1.00 0.00 C ATOM 533 C GLY A 33 -14.193 -3.139 6.076 1.00 0.00 C ATOM 534 O GLY A 33 -14.711 -2.174 6.601 1.00 0.00 O ATOM 0 H GLY A 33 -13.929 -3.568 3.401 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.961 -3.609 4.933 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.228 -4.997 5.713 1.00 0.00 H new ATOM 538 N TYR A 34 -12.932 -3.421 6.276 1.00 0.00 N ATOM 539 CA TYR A 34 -12.110 -2.547 7.166 1.00 0.00 C ATOM 540 C TYR A 34 -12.365 -1.074 6.842 1.00 0.00 C ATOM 541 O TYR A 34 -12.258 -0.644 5.711 1.00 0.00 O ATOM 542 CB TYR A 34 -10.621 -2.856 6.987 1.00 0.00 C ATOM 543 CG TYR A 34 -10.405 -4.353 6.957 1.00 0.00 C ATOM 544 CD1 TYR A 34 -10.917 -5.170 7.989 1.00 0.00 C ATOM 545 CD2 TYR A 34 -9.694 -4.935 5.893 1.00 0.00 C ATOM 546 CE1 TYR A 34 -10.716 -6.562 7.951 1.00 0.00 C ATOM 547 CE2 TYR A 34 -9.494 -6.325 5.855 1.00 0.00 C ATOM 548 CZ TYR A 34 -10.005 -7.140 6.883 1.00 0.00 C ATOM 549 OH TYR A 34 -9.807 -8.506 6.845 1.00 0.00 O ATOM 0 H TYR A 34 -12.438 -4.213 5.865 1.00 0.00 H new ATOM 0 HA TYR A 34 -12.396 -2.744 8.199 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.257 -2.409 6.062 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.048 -2.414 7.802 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.463 -4.726 8.808 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.301 -4.312 5.103 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -11.107 -7.186 8.741 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.948 -6.769 5.036 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.299 -8.741 6.041 1.00 0.00 H new ATOM 559 N ALA A 35 -12.711 -0.301 7.832 1.00 0.00 N ATOM 560 CA ALA A 35 -12.976 1.144 7.595 1.00 0.00 C ATOM 561 C ALA A 35 -11.758 1.757 6.871 1.00 0.00 C ATOM 562 O ALA A 35 -10.700 1.159 6.854 1.00 0.00 O ATOM 563 CB ALA A 35 -13.217 1.841 8.955 1.00 0.00 C ATOM 0 H ALA A 35 -12.822 -0.609 8.798 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.861 1.279 6.974 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -13.412 2.901 8.791 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -14.075 1.386 9.450 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.334 1.728 9.584 1.00 0.00 H new ATOM 569 N PRO A 36 -11.932 2.930 6.297 1.00 0.00 N ATOM 570 CA PRO A 36 -10.832 3.609 5.581 1.00 0.00 C ATOM 571 C PRO A 36 -9.648 3.859 6.531 1.00 0.00 C ATOM 572 O PRO A 36 -8.501 3.791 6.136 1.00 0.00 O ATOM 573 CB PRO A 36 -11.443 4.942 5.083 1.00 0.00 C ATOM 574 CG PRO A 36 -12.891 5.029 5.651 1.00 0.00 C ATOM 575 CD PRO A 36 -13.215 3.671 6.307 1.00 0.00 C ATOM 0 HA PRO A 36 -10.442 3.013 4.756 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.846 5.789 5.422 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.455 4.976 3.994 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.969 5.835 6.380 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.602 5.250 4.855 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.589 3.801 7.323 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -13.985 3.137 5.750 1.00 0.00 H new ATOM 583 N THR A 37 -9.918 4.162 7.770 1.00 0.00 N ATOM 584 CA THR A 37 -8.808 4.429 8.730 1.00 0.00 C ATOM 585 C THR A 37 -7.856 3.230 8.780 1.00 0.00 C ATOM 586 O THR A 37 -6.653 3.383 8.710 1.00 0.00 O ATOM 587 CB THR A 37 -9.392 4.688 10.121 1.00 0.00 C ATOM 588 OG1 THR A 37 -9.960 3.487 10.625 1.00 0.00 O ATOM 589 CG2 THR A 37 -10.473 5.768 10.029 1.00 0.00 C ATOM 0 H THR A 37 -10.858 4.237 8.160 1.00 0.00 H new ATOM 0 HA THR A 37 -8.250 5.306 8.401 1.00 0.00 H new ATOM 0 HB THR A 37 -8.601 5.025 10.791 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.333 3.650 11.516 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.889 5.952 11.020 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.036 6.688 9.642 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.265 5.433 9.360 1.00 0.00 H new ATOM 597 N THR A 38 -8.377 2.039 8.895 1.00 0.00 N ATOM 598 CA THR A 38 -7.488 0.842 8.944 1.00 0.00 C ATOM 599 C THR A 38 -6.578 0.844 7.712 1.00 0.00 C ATOM 600 O THR A 38 -5.374 0.980 7.813 1.00 0.00 O ATOM 601 CB THR A 38 -8.356 -0.432 8.953 1.00 0.00 C ATOM 602 OG1 THR A 38 -8.881 -0.629 10.258 1.00 0.00 O ATOM 603 CG2 THR A 38 -7.528 -1.660 8.550 1.00 0.00 C ATOM 0 H THR A 38 -9.376 1.843 8.957 1.00 0.00 H new ATOM 0 HA THR A 38 -6.876 0.867 9.845 1.00 0.00 H new ATOM 0 HB THR A 38 -9.166 -0.308 8.234 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.435 -1.437 10.269 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.162 -2.547 8.564 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.128 -1.516 7.547 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.706 -1.791 9.253 1.00 0.00 H new ATOM 611 N LEU A 39 -7.150 0.683 6.555 1.00 0.00 N ATOM 612 CA LEU A 39 -6.340 0.662 5.309 1.00 0.00 C ATOM 613 C LEU A 39 -5.402 1.872 5.272 1.00 0.00 C ATOM 614 O LEU A 39 -4.242 1.757 4.938 1.00 0.00 O ATOM 615 CB LEU A 39 -7.287 0.704 4.110 1.00 0.00 C ATOM 616 CG LEU A 39 -6.503 0.541 2.801 1.00 0.00 C ATOM 617 CD1 LEU A 39 -5.914 -0.880 2.693 1.00 0.00 C ATOM 618 CD2 LEU A 39 -7.450 0.802 1.634 1.00 0.00 C ATOM 0 H LEU A 39 -8.154 0.564 6.418 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.737 -0.246 5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.030 -0.089 4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.830 1.649 4.101 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.676 1.251 2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.362 -0.975 1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.241 -1.060 3.531 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.722 -1.611 2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.909 0.690 0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.273 0.088 1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.846 1.815 1.706 1.00 0.00 H new ATOM 630 N ALA A 40 -5.896 3.034 5.592 1.00 0.00 N ATOM 631 CA ALA A 40 -5.027 4.245 5.562 1.00 0.00 C ATOM 632 C ALA A 40 -3.798 4.025 6.451 1.00 0.00 C ATOM 633 O ALA A 40 -2.696 3.830 5.978 1.00 0.00 O ATOM 634 CB ALA A 40 -5.817 5.450 6.078 1.00 0.00 C ATOM 0 H ALA A 40 -6.863 3.199 5.873 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.702 4.429 4.538 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.183 6.337 6.057 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.689 5.612 5.444 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.142 5.261 7.101 1.00 0.00 H new ATOM 640 N ASN A 41 -3.989 4.070 7.739 1.00 0.00 N ATOM 641 CA ASN A 41 -2.853 3.884 8.688 1.00 0.00 C ATOM 642 C ASN A 41 -2.142 2.548 8.433 1.00 0.00 C ATOM 643 O ASN A 41 -1.182 2.217 9.100 1.00 0.00 O ATOM 644 CB ASN A 41 -3.392 3.910 10.122 1.00 0.00 C ATOM 645 CG ASN A 41 -2.227 3.872 11.114 1.00 0.00 C ATOM 646 OD1 ASN A 41 -2.360 3.352 12.204 1.00 0.00 O ATOM 647 ND2 ASN A 41 -1.083 4.406 10.782 1.00 0.00 N ATOM 0 H ASN A 41 -4.894 4.230 8.181 1.00 0.00 H new ATOM 0 HA ASN A 41 -2.134 4.690 8.540 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.987 4.809 10.280 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.051 3.058 10.288 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -0.302 4.386 11.437 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -0.970 4.843 9.867 1.00 0.00 H new ATOM 654 N ALA A 42 -2.599 1.769 7.489 1.00 0.00 N ATOM 655 CA ALA A 42 -1.929 0.460 7.224 1.00 0.00 C ATOM 656 C ALA A 42 -0.573 0.700 6.553 1.00 0.00 C ATOM 657 O ALA A 42 0.148 -0.227 6.239 1.00 0.00 O ATOM 658 CB ALA A 42 -2.805 -0.389 6.299 1.00 0.00 C ATOM 0 H ALA A 42 -3.400 1.979 6.894 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.781 -0.063 8.169 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.314 -1.343 6.107 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.770 -0.566 6.774 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.956 0.137 5.356 1.00 0.00 H new ATOM 664 N LEU A 43 -0.235 1.936 6.313 1.00 0.00 N ATOM 665 CA LEU A 43 1.064 2.251 5.646 1.00 0.00 C ATOM 666 C LEU A 43 2.203 2.339 6.673 1.00 0.00 C ATOM 667 O LEU A 43 3.361 2.392 6.305 1.00 0.00 O ATOM 668 CB LEU A 43 0.944 3.601 4.929 1.00 0.00 C ATOM 669 CG LEU A 43 -0.163 3.540 3.855 1.00 0.00 C ATOM 670 CD1 LEU A 43 -0.691 4.951 3.575 1.00 0.00 C ATOM 671 CD2 LEU A 43 0.398 2.952 2.554 1.00 0.00 C ATOM 0 H LEU A 43 -0.805 2.748 6.551 1.00 0.00 H new ATOM 0 HA LEU A 43 1.290 1.455 4.937 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.717 4.385 5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.896 3.860 4.466 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.972 2.908 4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.472 4.903 2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.101 5.375 4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.124 5.580 3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.391 2.913 1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.213 3.579 2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.771 1.945 2.741 1.00 0.00 H new ATOM 683 N GLU A 44 1.896 2.389 7.951 1.00 0.00 N ATOM 684 CA GLU A 44 2.981 2.514 8.987 1.00 0.00 C ATOM 685 C GLU A 44 2.865 1.420 10.054 1.00 0.00 C ATOM 686 O GLU A 44 3.857 0.967 10.589 1.00 0.00 O ATOM 687 CB GLU A 44 2.861 3.881 9.665 1.00 0.00 C ATOM 688 CG GLU A 44 3.097 4.989 8.633 1.00 0.00 C ATOM 689 CD GLU A 44 3.378 6.310 9.351 1.00 0.00 C ATOM 690 OE1 GLU A 44 2.625 6.645 10.251 1.00 0.00 O ATOM 691 OE2 GLU A 44 4.341 6.965 8.989 1.00 0.00 O ATOM 0 H GLU A 44 0.947 2.349 8.322 1.00 0.00 H new ATOM 0 HA GLU A 44 3.945 2.408 8.490 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.873 3.991 10.112 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.588 3.962 10.473 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.937 4.727 7.990 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.223 5.092 7.990 1.00 0.00 H new ATOM 698 N ARG A 45 1.678 1.002 10.393 1.00 0.00 N ATOM 699 CA ARG A 45 1.547 -0.048 11.447 1.00 0.00 C ATOM 700 C ARG A 45 1.954 -1.409 10.883 1.00 0.00 C ATOM 701 O ARG A 45 1.516 -1.813 9.823 1.00 0.00 O ATOM 702 CB ARG A 45 0.100 -0.114 11.946 1.00 0.00 C ATOM 703 CG ARG A 45 -0.253 1.178 12.695 1.00 0.00 C ATOM 704 CD ARG A 45 -1.478 0.943 13.582 1.00 0.00 C ATOM 705 NE ARG A 45 -1.842 2.210 14.274 1.00 0.00 N ATOM 706 CZ ARG A 45 -3.012 2.329 14.836 1.00 0.00 C ATOM 707 NH1 ARG A 45 -3.856 1.335 14.791 1.00 0.00 N ATOM 708 NH2 ARG A 45 -3.337 3.437 15.441 1.00 0.00 N ATOM 0 H ARG A 45 0.801 1.336 9.993 1.00 0.00 H new ATOM 0 HA ARG A 45 2.203 0.208 12.279 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.578 -0.254 11.104 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.028 -0.973 12.604 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.592 1.499 13.304 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.456 1.978 11.983 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -2.315 0.593 12.978 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.265 0.164 14.315 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.177 2.983 14.308 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -3.599 0.469 14.317 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.773 1.424 15.230 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.675 4.212 15.475 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -4.253 3.528 15.880 1.00 0.00 H new ATOM 722 N HIS A 46 2.779 -2.127 11.597 1.00 0.00 N ATOM 723 CA HIS A 46 3.209 -3.469 11.116 1.00 0.00 C ATOM 724 C HIS A 46 1.970 -4.332 10.866 1.00 0.00 C ATOM 725 O HIS A 46 1.401 -4.898 11.777 1.00 0.00 O ATOM 726 CB HIS A 46 4.089 -4.133 12.179 1.00 0.00 C ATOM 727 CG HIS A 46 3.305 -4.279 13.453 1.00 0.00 C ATOM 728 ND1 HIS A 46 2.335 -3.366 13.830 1.00 0.00 N ATOM 729 CD2 HIS A 46 3.332 -5.229 14.442 1.00 0.00 C ATOM 730 CE1 HIS A 46 1.822 -3.780 15.002 1.00 0.00 C ATOM 731 NE2 HIS A 46 2.394 -4.913 15.420 1.00 0.00 N ATOM 0 H HIS A 46 3.173 -1.841 12.493 1.00 0.00 H new ATOM 0 HA HIS A 46 3.776 -3.365 10.191 1.00 0.00 H new ATOM 0 HB2 HIS A 46 4.425 -5.110 11.831 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.982 -3.533 12.355 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.982 -6.091 14.459 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.043 -3.260 15.540 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.188 -5.434 16.272 1.00 0.00 H new ATOM 739 N TRP A 47 1.549 -4.437 9.641 1.00 0.00 N ATOM 740 CA TRP A 47 0.348 -5.262 9.330 1.00 0.00 C ATOM 741 C TRP A 47 0.375 -5.597 7.830 1.00 0.00 C ATOM 742 O TRP A 47 -0.399 -5.059 7.063 1.00 0.00 O ATOM 743 CB TRP A 47 -0.917 -4.459 9.676 1.00 0.00 C ATOM 744 CG TRP A 47 -2.141 -5.288 9.429 1.00 0.00 C ATOM 745 CD1 TRP A 47 -2.331 -6.560 9.862 1.00 0.00 C ATOM 746 CD2 TRP A 47 -3.355 -4.919 8.709 1.00 0.00 C ATOM 747 NE1 TRP A 47 -3.570 -6.999 9.436 1.00 0.00 N ATOM 748 CE2 TRP A 47 -4.242 -6.028 8.726 1.00 0.00 C ATOM 749 CE3 TRP A 47 -3.767 -3.742 8.042 1.00 0.00 C ATOM 750 CZ2 TRP A 47 -5.496 -5.973 8.103 1.00 0.00 C ATOM 751 CZ3 TRP A 47 -5.031 -3.683 7.415 1.00 0.00 C ATOM 752 CH2 TRP A 47 -5.892 -4.797 7.445 1.00 0.00 C ATOM 0 H TRP A 47 1.985 -3.986 8.836 1.00 0.00 H new ATOM 0 HA TRP A 47 0.347 -6.183 9.912 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -0.885 -4.148 10.720 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -0.956 -3.551 9.074 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -1.628 -7.136 10.445 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -3.942 -7.930 9.624 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.112 -2.884 8.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -6.154 -6.829 8.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.339 -2.779 6.910 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.857 -4.747 6.962 1.00 0.00 H new ATOM 763 N PRO A 48 1.308 -6.452 7.446 1.00 0.00 N ATOM 764 CA PRO A 48 1.483 -6.846 6.030 1.00 0.00 C ATOM 765 C PRO A 48 0.198 -7.448 5.426 1.00 0.00 C ATOM 766 O PRO A 48 0.078 -7.556 4.222 1.00 0.00 O ATOM 767 CB PRO A 48 2.640 -7.875 6.043 1.00 0.00 C ATOM 768 CG PRO A 48 3.219 -7.907 7.486 1.00 0.00 C ATOM 769 CD PRO A 48 2.274 -7.081 8.384 1.00 0.00 C ATOM 0 HA PRO A 48 1.706 -5.983 5.403 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.279 -8.862 5.752 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.412 -7.594 5.326 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.292 -8.933 7.847 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.226 -7.491 7.504 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.764 -7.715 9.110 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.824 -6.328 8.949 1.00 0.00 H new ATOM 777 N LYS A 49 -0.760 -7.838 6.224 1.00 0.00 N ATOM 778 CA LYS A 49 -2.000 -8.418 5.628 1.00 0.00 C ATOM 779 C LYS A 49 -2.790 -7.300 4.942 1.00 0.00 C ATOM 780 O LYS A 49 -3.480 -7.520 3.964 1.00 0.00 O ATOM 781 CB LYS A 49 -2.860 -9.069 6.722 1.00 0.00 C ATOM 782 CG LYS A 49 -4.017 -9.889 6.084 1.00 0.00 C ATOM 783 CD LYS A 49 -3.680 -11.390 6.049 1.00 0.00 C ATOM 784 CE LYS A 49 -2.576 -11.673 5.025 1.00 0.00 C ATOM 785 NZ LYS A 49 -2.582 -13.123 4.680 1.00 0.00 N ATOM 0 H LYS A 49 -0.741 -7.783 7.242 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.730 -9.182 4.899 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.242 -9.720 7.340 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.269 -8.300 7.378 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.934 -9.732 6.652 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.204 -9.532 5.071 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.359 -11.719 7.037 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.573 -11.962 5.797 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.734 -11.074 4.128 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.606 -11.388 5.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.833 -13.318 3.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.412 -13.685 5.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.505 -13.380 4.276 1.00 0.00 H new ATOM 799 N GLY A 50 -2.672 -6.094 5.431 1.00 0.00 N ATOM 800 CA GLY A 50 -3.394 -4.958 4.790 1.00 0.00 C ATOM 801 C GLY A 50 -2.683 -4.613 3.487 1.00 0.00 C ATOM 802 O GLY A 50 -3.284 -4.145 2.539 1.00 0.00 O ATOM 0 H GLY A 50 -2.108 -5.847 6.245 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.432 -5.229 4.596 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.409 -4.094 5.455 1.00 0.00 H new ATOM 806 N GLU A 51 -1.403 -4.856 3.425 1.00 0.00 N ATOM 807 CA GLU A 51 -0.657 -4.563 2.179 1.00 0.00 C ATOM 808 C GLU A 51 -1.090 -5.578 1.124 1.00 0.00 C ATOM 809 O GLU A 51 -1.142 -5.287 -0.053 1.00 0.00 O ATOM 810 CB GLU A 51 0.842 -4.684 2.446 1.00 0.00 C ATOM 811 CG GLU A 51 1.217 -3.773 3.615 1.00 0.00 C ATOM 812 CD GLU A 51 2.735 -3.775 3.803 1.00 0.00 C ATOM 813 OE1 GLU A 51 3.352 -4.774 3.474 1.00 0.00 O ATOM 814 OE2 GLU A 51 3.256 -2.776 4.272 1.00 0.00 O ATOM 0 H GLU A 51 -0.845 -5.245 4.185 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.866 -3.552 1.830 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.101 -5.717 2.677 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.406 -4.405 1.556 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.866 -2.759 3.426 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.727 -4.115 4.527 1.00 0.00 H new ATOM 821 N GLN A 52 -1.428 -6.769 1.548 1.00 0.00 N ATOM 822 CA GLN A 52 -1.891 -7.796 0.578 1.00 0.00 C ATOM 823 C GLN A 52 -3.161 -7.275 -0.094 1.00 0.00 C ATOM 824 O GLN A 52 -3.377 -7.470 -1.270 1.00 0.00 O ATOM 825 CB GLN A 52 -2.192 -9.108 1.312 1.00 0.00 C ATOM 826 CG GLN A 52 -0.879 -9.763 1.762 1.00 0.00 C ATOM 827 CD GLN A 52 -0.226 -10.481 0.578 1.00 0.00 C ATOM 828 OE1 GLN A 52 -0.779 -10.523 -0.503 1.00 0.00 O ATOM 829 NE2 GLN A 52 0.937 -11.051 0.737 1.00 0.00 N ATOM 0 H GLN A 52 -1.402 -7.070 2.522 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.119 -7.986 -0.168 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.828 -8.915 2.176 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.741 -9.784 0.657 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.202 -9.007 2.159 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.073 -10.472 2.567 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.402 -11.016 1.644 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.381 -11.531 -0.046 1.00 0.00 H new ATOM 838 N ILE A 53 -3.993 -6.588 0.646 1.00 0.00 N ATOM 839 CA ILE A 53 -5.242 -6.030 0.048 1.00 0.00 C ATOM 840 C ILE A 53 -4.859 -5.125 -1.132 1.00 0.00 C ATOM 841 O ILE A 53 -5.367 -5.260 -2.229 1.00 0.00 O ATOM 842 CB ILE A 53 -5.983 -5.205 1.116 1.00 0.00 C ATOM 843 CG1 ILE A 53 -6.264 -6.089 2.338 1.00 0.00 C ATOM 844 CG2 ILE A 53 -7.314 -4.676 0.566 1.00 0.00 C ATOM 845 CD1 ILE A 53 -7.021 -5.280 3.401 1.00 0.00 C ATOM 0 H ILE A 53 -3.861 -6.390 1.638 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.889 -6.835 -0.301 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.356 -4.359 1.398 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.852 -6.958 2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.327 -6.463 2.751 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.821 -4.096 1.337 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.124 -4.041 -0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.944 -5.515 0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.218 -5.912 4.267 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.417 -4.425 3.706 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.965 -4.928 2.986 1.00 0.00 H new ATOM 857 N ILE A 54 -3.972 -4.195 -0.909 1.00 0.00 N ATOM 858 CA ILE A 54 -3.560 -3.270 -2.003 1.00 0.00 C ATOM 859 C ILE A 54 -2.831 -4.040 -3.112 1.00 0.00 C ATOM 860 O ILE A 54 -3.181 -3.951 -4.274 1.00 0.00 O ATOM 861 CB ILE A 54 -2.630 -2.206 -1.414 1.00 0.00 C ATOM 862 CG1 ILE A 54 -3.451 -1.304 -0.482 1.00 0.00 C ATOM 863 CG2 ILE A 54 -2.015 -1.371 -2.541 1.00 0.00 C ATOM 864 CD1 ILE A 54 -2.531 -0.354 0.313 1.00 0.00 C ATOM 0 H ILE A 54 -3.513 -4.035 -0.012 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.444 -2.802 -2.437 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.824 -2.682 -0.855 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.164 -0.722 -1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.030 -1.918 0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.354 -0.616 -2.115 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.444 -2.020 -3.205 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.808 -0.882 -3.106 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.135 0.275 0.966 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.836 -0.940 0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.971 0.274 -0.380 1.00 0.00 H new ATOM 876 N ALA A 55 -1.817 -4.786 -2.772 1.00 0.00 N ATOM 877 CA ALA A 55 -1.069 -5.546 -3.814 1.00 0.00 C ATOM 878 C ALA A 55 -2.024 -6.500 -4.527 1.00 0.00 C ATOM 879 O ALA A 55 -1.914 -6.740 -5.713 1.00 0.00 O ATOM 880 CB ALA A 55 0.042 -6.354 -3.145 1.00 0.00 C ATOM 0 H ALA A 55 -1.474 -4.903 -1.819 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.638 -4.852 -4.536 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.593 -6.912 -3.902 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.722 -5.678 -2.627 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.395 -7.049 -2.428 1.00 0.00 H new ATOM 886 N ASN A 56 -2.966 -7.038 -3.811 1.00 0.00 N ATOM 887 CA ASN A 56 -3.939 -7.976 -4.437 1.00 0.00 C ATOM 888 C ASN A 56 -4.591 -7.280 -5.633 1.00 0.00 C ATOM 889 O ASN A 56 -4.908 -7.900 -6.630 1.00 0.00 O ATOM 890 CB ASN A 56 -5.004 -8.375 -3.401 1.00 0.00 C ATOM 891 CG ASN A 56 -6.207 -9.022 -4.097 1.00 0.00 C ATOM 892 OD1 ASN A 56 -7.149 -8.345 -4.460 1.00 0.00 O ATOM 893 ND2 ASN A 56 -6.215 -10.310 -4.299 1.00 0.00 N ATOM 0 H ASN A 56 -3.107 -6.869 -2.815 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.431 -8.878 -4.778 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.576 -9.070 -2.679 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.327 -7.495 -2.844 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.011 -10.749 -4.761 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.425 -10.879 -3.995 1.00 0.00 H new ATOM 900 N ALA A 57 -4.804 -5.998 -5.537 1.00 0.00 N ATOM 901 CA ALA A 57 -5.444 -5.262 -6.664 1.00 0.00 C ATOM 902 C ALA A 57 -4.565 -5.339 -7.918 1.00 0.00 C ATOM 903 O ALA A 57 -5.055 -5.531 -9.013 1.00 0.00 O ATOM 904 CB ALA A 57 -5.658 -3.800 -6.268 1.00 0.00 C ATOM 0 H ALA A 57 -4.563 -5.427 -4.727 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.407 -5.722 -6.884 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.126 -3.264 -7.094 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.304 -3.751 -5.391 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.697 -3.341 -6.036 1.00 0.00 H new ATOM 910 N LEU A 58 -3.273 -5.197 -7.775 1.00 0.00 N ATOM 911 CA LEU A 58 -2.379 -5.266 -8.969 1.00 0.00 C ATOM 912 C LEU A 58 -1.989 -6.723 -9.219 1.00 0.00 C ATOM 913 O LEU A 58 -1.154 -7.017 -10.048 1.00 0.00 O ATOM 914 CB LEU A 58 -1.099 -4.469 -8.703 1.00 0.00 C ATOM 915 CG LEU A 58 -1.414 -2.988 -8.486 1.00 0.00 C ATOM 916 CD1 LEU A 58 -0.129 -2.274 -8.050 1.00 0.00 C ATOM 917 CD2 LEU A 58 -1.936 -2.352 -9.788 1.00 0.00 C ATOM 0 H LEU A 58 -2.799 -5.037 -6.886 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.903 -4.855 -9.831 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.592 -4.870 -7.825 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.415 -4.580 -9.544 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.183 -2.890 -7.720 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.337 -1.216 -7.891 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.236 -2.716 -7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.629 -2.382 -8.826 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.155 -1.298 -9.616 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.178 -2.443 -10.566 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.844 -2.865 -10.105 1.00 0.00 H new ATOM 929 N GLU A 59 -2.582 -7.635 -8.501 1.00 0.00 N ATOM 930 CA GLU A 59 -2.237 -9.070 -8.692 1.00 0.00 C ATOM 931 C GLU A 59 -0.729 -9.254 -8.523 1.00 0.00 C ATOM 932 O GLU A 59 -0.160 -10.221 -8.991 1.00 0.00 O ATOM 933 CB GLU A 59 -2.654 -9.521 -10.095 1.00 0.00 C ATOM 934 CG GLU A 59 -4.107 -9.116 -10.352 1.00 0.00 C ATOM 935 CD GLU A 59 -4.558 -9.664 -11.708 1.00 0.00 C ATOM 936 OE1 GLU A 59 -3.708 -9.848 -12.563 1.00 0.00 O ATOM 937 OE2 GLU A 59 -5.747 -9.890 -11.867 1.00 0.00 O ATOM 0 H GLU A 59 -3.290 -7.449 -7.791 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.765 -9.671 -7.951 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.002 -9.069 -10.842 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.545 -10.601 -10.188 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.749 -9.502 -9.560 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.201 -8.030 -10.337 1.00 0.00 H new ATOM 944 N THR A 60 -0.076 -8.336 -7.844 1.00 0.00 N ATOM 945 CA THR A 60 1.406 -8.455 -7.626 1.00 0.00 C ATOM 946 C THR A 60 1.673 -8.751 -6.151 1.00 0.00 C ATOM 947 O THR A 60 0.766 -9.048 -5.398 1.00 0.00 O ATOM 948 CB THR A 60 2.110 -7.150 -8.052 1.00 0.00 C ATOM 949 OG1 THR A 60 3.497 -7.404 -8.220 1.00 0.00 O ATOM 950 CG2 THR A 60 1.923 -6.052 -6.996 1.00 0.00 C ATOM 0 H THR A 60 -0.506 -7.508 -7.431 1.00 0.00 H new ATOM 0 HA THR A 60 1.802 -9.270 -8.232 1.00 0.00 H new ATOM 0 HB THR A 60 1.669 -6.808 -8.988 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.892 -6.705 -8.782 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.429 -5.144 -7.322 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.860 -5.849 -6.867 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.347 -6.383 -6.048 1.00 0.00 H new ATOM 958 N LYS A 61 2.913 -8.687 -5.732 1.00 0.00 N ATOM 959 CA LYS A 61 3.250 -8.979 -4.303 1.00 0.00 C ATOM 960 C LYS A 61 3.565 -7.655 -3.578 1.00 0.00 C ATOM 961 O LYS A 61 4.079 -6.744 -4.197 1.00 0.00 O ATOM 962 CB LYS A 61 4.484 -9.895 -4.265 1.00 0.00 C ATOM 963 CG LYS A 61 4.378 -10.980 -5.368 1.00 0.00 C ATOM 964 CD LYS A 61 5.175 -10.557 -6.608 1.00 0.00 C ATOM 965 CE LYS A 61 4.889 -11.530 -7.754 1.00 0.00 C ATOM 966 NZ LYS A 61 4.932 -12.929 -7.242 1.00 0.00 N ATOM 0 H LYS A 61 3.710 -8.444 -6.321 1.00 0.00 H new ATOM 0 HA LYS A 61 2.411 -9.470 -3.810 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.389 -9.305 -4.411 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.566 -10.368 -3.286 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.756 -11.930 -4.991 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.333 -11.136 -5.635 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.902 -9.543 -6.901 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.241 -10.547 -6.382 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.911 -11.320 -8.188 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.624 -11.399 -8.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.095 -13.584 -8.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.704 -13.022 -6.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.027 -13.159 -6.783 1.00 0.00 H new ATOM 980 N PRO A 62 3.275 -7.568 -2.289 1.00 0.00 N ATOM 981 CA PRO A 62 3.564 -6.337 -1.532 1.00 0.00 C ATOM 982 C PRO A 62 5.070 -6.053 -1.603 1.00 0.00 C ATOM 983 O PRO A 62 5.514 -4.934 -1.444 1.00 0.00 O ATOM 984 CB PRO A 62 3.103 -6.641 -0.084 1.00 0.00 C ATOM 985 CG PRO A 62 2.668 -8.134 -0.040 1.00 0.00 C ATOM 986 CD PRO A 62 2.656 -8.654 -1.494 1.00 0.00 C ATOM 0 HA PRO A 62 3.056 -5.455 -1.922 1.00 0.00 H new ATOM 0 HB2 PRO A 62 3.911 -6.455 0.623 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.275 -5.991 0.200 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.358 -8.717 0.571 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.681 -8.233 0.411 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.219 -9.583 -1.587 1.00 0.00 H new ATOM 0 HD3 PRO A 62 1.641 -8.862 -1.831 1.00 0.00 H new ATOM 994 N GLU A 63 5.853 -7.072 -1.839 1.00 0.00 N ATOM 995 CA GLU A 63 7.329 -6.891 -1.928 1.00 0.00 C ATOM 996 C GLU A 63 7.670 -5.957 -3.095 1.00 0.00 C ATOM 997 O GLU A 63 8.800 -5.541 -3.257 1.00 0.00 O ATOM 998 CB GLU A 63 7.986 -8.258 -2.157 1.00 0.00 C ATOM 999 CG GLU A 63 8.024 -9.045 -0.842 1.00 0.00 C ATOM 1000 CD GLU A 63 6.636 -9.046 -0.194 1.00 0.00 C ATOM 1001 OE1 GLU A 63 6.352 -8.124 0.552 1.00 0.00 O ATOM 1002 OE2 GLU A 63 5.883 -9.970 -0.454 1.00 0.00 O ATOM 0 H GLU A 63 5.529 -8.030 -1.975 1.00 0.00 H new ATOM 0 HA GLU A 63 7.699 -6.452 -1.002 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.430 -8.817 -2.910 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.997 -8.125 -2.541 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.348 -10.069 -1.030 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.752 -8.600 -0.163 1.00 0.00 H new ATOM 1009 N VAL A 64 6.705 -5.636 -3.919 1.00 0.00 N ATOM 1010 CA VAL A 64 6.975 -4.744 -5.089 1.00 0.00 C ATOM 1011 C VAL A 64 6.735 -3.285 -4.692 1.00 0.00 C ATOM 1012 O VAL A 64 7.364 -2.382 -5.207 1.00 0.00 O ATOM 1013 CB VAL A 64 6.033 -5.125 -6.236 1.00 0.00 C ATOM 1014 CG1 VAL A 64 6.256 -4.189 -7.425 1.00 0.00 C ATOM 1015 CG2 VAL A 64 6.317 -6.565 -6.671 1.00 0.00 C ATOM 0 H VAL A 64 5.740 -5.954 -3.832 1.00 0.00 H new ATOM 0 HA VAL A 64 8.011 -4.862 -5.408 1.00 0.00 H new ATOM 0 HB VAL A 64 5.001 -5.038 -5.895 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.583 -4.465 -8.237 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.056 -3.161 -7.122 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.288 -4.272 -7.765 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.648 -6.837 -7.487 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.351 -6.646 -7.007 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.155 -7.238 -5.829 1.00 0.00 H new ATOM 1025 N ILE A 65 5.834 -3.045 -3.776 1.00 0.00 N ATOM 1026 CA ILE A 65 5.556 -1.642 -3.344 1.00 0.00 C ATOM 1027 C ILE A 65 6.498 -1.273 -2.187 1.00 0.00 C ATOM 1028 O ILE A 65 6.756 -0.115 -1.932 1.00 0.00 O ATOM 1029 CB ILE A 65 4.089 -1.531 -2.909 1.00 0.00 C ATOM 1030 CG1 ILE A 65 3.183 -1.723 -4.146 1.00 0.00 C ATOM 1031 CG2 ILE A 65 3.839 -0.151 -2.287 1.00 0.00 C ATOM 1032 CD1 ILE A 65 1.777 -2.176 -3.720 1.00 0.00 C ATOM 0 H ILE A 65 5.278 -3.760 -3.307 1.00 0.00 H new ATOM 0 HA ILE A 65 5.730 -0.951 -4.169 1.00 0.00 H new ATOM 0 HB ILE A 65 3.863 -2.298 -2.168 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.117 -0.789 -4.704 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.623 -2.463 -4.815 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.796 -0.074 -1.979 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.485 -0.021 -1.418 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.058 0.624 -3.021 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.153 -2.306 -4.604 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.847 -3.122 -3.183 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.333 -1.422 -3.070 1.00 0.00 H new ATOM 1044 N TRP A 66 7.038 -2.257 -1.505 1.00 0.00 N ATOM 1045 CA TRP A 66 7.994 -1.988 -0.374 1.00 0.00 C ATOM 1046 C TRP A 66 9.249 -2.868 -0.561 1.00 0.00 C ATOM 1047 O TRP A 66 9.404 -3.857 0.125 1.00 0.00 O ATOM 1048 CB TRP A 66 7.308 -2.334 0.952 1.00 0.00 C ATOM 1049 CG TRP A 66 6.218 -1.343 1.194 1.00 0.00 C ATOM 1050 CD1 TRP A 66 6.390 -0.115 1.739 1.00 0.00 C ATOM 1051 CD2 TRP A 66 4.800 -1.465 0.897 1.00 0.00 C ATOM 1052 NE1 TRP A 66 5.167 0.531 1.785 1.00 0.00 N ATOM 1053 CE2 TRP A 66 4.154 -0.258 1.280 1.00 0.00 C ATOM 1054 CE3 TRP A 66 4.014 -2.496 0.334 1.00 0.00 C ATOM 1055 CZ2 TRP A 66 2.774 -0.078 1.106 1.00 0.00 C ATOM 1056 CZ3 TRP A 66 2.623 -2.319 0.156 1.00 0.00 C ATOM 1057 CH2 TRP A 66 2.005 -1.111 0.541 1.00 0.00 C ATOM 0 H TRP A 66 6.857 -3.245 -1.683 1.00 0.00 H new ATOM 0 HA TRP A 66 8.285 -0.938 -0.366 1.00 0.00 H new ATOM 0 HB2 TRP A 66 6.900 -3.344 0.915 1.00 0.00 H new ATOM 0 HB3 TRP A 66 8.029 -2.311 1.769 1.00 0.00 H new ATOM 0 HD1 TRP A 66 7.329 0.294 2.082 1.00 0.00 H new ATOM 0 HE1 TRP A 66 5.031 1.475 2.148 1.00 0.00 H new ATOM 0 HE3 TRP A 66 4.479 -3.425 0.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 2.305 0.848 1.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 2.031 -3.112 -0.277 1.00 0.00 H new ATOM 0 HH2 TRP A 66 0.942 -0.979 0.402 1.00 0.00 H new ATOM 1068 N PRO A 67 10.098 -2.502 -1.508 1.00 0.00 N ATOM 1069 CA PRO A 67 11.319 -3.283 -1.815 1.00 0.00 C ATOM 1070 C PRO A 67 12.397 -3.125 -0.725 1.00 0.00 C ATOM 1071 O PRO A 67 12.783 -4.080 -0.082 1.00 0.00 O ATOM 1072 CB PRO A 67 11.819 -2.698 -3.159 1.00 0.00 C ATOM 1073 CG PRO A 67 11.064 -1.356 -3.381 1.00 0.00 C ATOM 1074 CD PRO A 67 9.918 -1.296 -2.349 1.00 0.00 C ATOM 0 HA PRO A 67 11.109 -4.351 -1.864 1.00 0.00 H new ATOM 0 HB2 PRO A 67 12.896 -2.534 -3.131 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.623 -3.391 -3.978 1.00 0.00 H new ATOM 0 HG2 PRO A 67 11.739 -0.510 -3.254 1.00 0.00 H new ATOM 0 HG3 PRO A 67 10.670 -1.300 -4.396 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.972 -0.386 -1.751 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.944 -1.298 -2.839 1.00 0.00 H new ATOM 1082 N SER A 68 12.913 -1.937 -0.548 1.00 0.00 N ATOM 1083 CA SER A 68 13.999 -1.729 0.460 1.00 0.00 C ATOM 1084 C SER A 68 13.544 -2.149 1.862 1.00 0.00 C ATOM 1085 O SER A 68 14.259 -1.955 2.825 1.00 0.00 O ATOM 1086 CB SER A 68 14.401 -0.250 0.474 1.00 0.00 C ATOM 1087 OG SER A 68 15.767 -0.140 0.853 1.00 0.00 O ATOM 0 H SER A 68 12.630 -1.100 -1.058 1.00 0.00 H new ATOM 0 HA SER A 68 14.851 -2.348 0.180 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.248 0.190 -0.511 1.00 0.00 H new ATOM 0 HB3 SER A 68 13.772 0.304 1.171 1.00 0.00 H new ATOM 0 HG SER A 68 16.240 0.429 0.210 1.00 0.00 H new ATOM 1093 N ARG A 69 12.375 -2.721 1.996 1.00 0.00 N ATOM 1094 CA ARG A 69 11.898 -3.145 3.350 1.00 0.00 C ATOM 1095 C ARG A 69 12.082 -4.658 3.500 1.00 0.00 C ATOM 1096 O ARG A 69 12.274 -5.163 4.587 1.00 0.00 O ATOM 1097 CB ARG A 69 10.412 -2.815 3.489 1.00 0.00 C ATOM 1098 CG ARG A 69 10.195 -1.298 3.378 1.00 0.00 C ATOM 1099 CD ARG A 69 10.920 -0.563 4.520 1.00 0.00 C ATOM 1100 NE ARG A 69 12.302 -0.214 4.087 1.00 0.00 N ATOM 1101 CZ ARG A 69 12.991 0.675 4.751 1.00 0.00 C ATOM 1102 NH1 ARG A 69 12.472 1.261 5.794 1.00 0.00 N ATOM 1103 NH2 ARG A 69 14.201 0.978 4.368 1.00 0.00 N ATOM 0 H ARG A 69 11.730 -2.913 1.229 1.00 0.00 H new ATOM 0 HA ARG A 69 12.469 -2.621 4.117 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.843 -3.329 2.714 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.040 -3.174 4.449 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.564 -0.942 2.416 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.129 -1.074 3.413 1.00 0.00 H new ATOM 0 HD2 ARG A 69 10.373 0.340 4.791 1.00 0.00 H new ATOM 0 HD3 ARG A 69 10.954 -1.193 5.409 1.00 0.00 H new ATOM 0 HE ARG A 69 12.711 -0.670 3.271 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.526 1.025 6.093 1.00 0.00 H new ATOM 0 HH12 ARG A 69 13.012 1.955 6.311 1.00 0.00 H new ATOM 0 HH21 ARG A 69 14.607 0.521 3.552 1.00 0.00 H new ATOM 0 HH22 ARG A 69 14.741 1.672 4.885 1.00 0.00 H new ATOM 1117 N TYR A 70 12.022 -5.383 2.410 1.00 0.00 N ATOM 1118 CA TYR A 70 12.184 -6.875 2.463 1.00 0.00 C ATOM 1119 C TYR A 70 13.565 -7.249 1.915 1.00 0.00 C ATOM 1120 O TYR A 70 14.392 -6.399 1.652 1.00 0.00 O ATOM 1121 CB TYR A 70 11.107 -7.525 1.577 1.00 0.00 C ATOM 1122 CG TYR A 70 9.787 -7.546 2.304 1.00 0.00 C ATOM 1123 CD1 TYR A 70 9.551 -8.491 3.322 1.00 0.00 C ATOM 1124 CD2 TYR A 70 8.793 -6.617 1.965 1.00 0.00 C ATOM 1125 CE1 TYR A 70 8.313 -8.502 3.997 1.00 0.00 C ATOM 1126 CE2 TYR A 70 7.556 -6.624 2.638 1.00 0.00 C ATOM 1127 CZ TYR A 70 7.315 -7.568 3.656 1.00 0.00 C ATOM 1128 OH TYR A 70 6.105 -7.578 4.318 1.00 0.00 O ATOM 0 H TYR A 70 11.866 -5.004 1.476 1.00 0.00 H new ATOM 0 HA TYR A 70 12.085 -7.222 3.491 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.009 -6.971 0.644 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.404 -8.541 1.315 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.317 -9.206 3.585 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.977 -5.893 1.185 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.130 -9.227 4.776 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.793 -5.907 2.374 1.00 0.00 H new ATOM 0 HH TYR A 70 5.531 -6.868 3.961 1.00 0.00 H new ATOM 1138 N GLN A 71 13.812 -8.517 1.721 1.00 0.00 N ATOM 1139 CA GLN A 71 15.130 -8.950 1.175 1.00 0.00 C ATOM 1140 C GLN A 71 14.988 -10.353 0.583 1.00 0.00 C ATOM 1141 O GLN A 71 15.099 -11.343 1.277 1.00 0.00 O ATOM 1142 CB GLN A 71 16.172 -8.966 2.298 1.00 0.00 C ATOM 1143 CG GLN A 71 17.559 -9.276 1.721 1.00 0.00 C ATOM 1144 CD GLN A 71 18.003 -8.143 0.793 1.00 0.00 C ATOM 1145 OE1 GLN A 71 17.890 -8.251 -0.411 1.00 0.00 O ATOM 1146 NE2 GLN A 71 18.510 -7.054 1.304 1.00 0.00 N ATOM 0 H GLN A 71 13.156 -9.273 1.918 1.00 0.00 H new ATOM 0 HA GLN A 71 15.453 -8.256 0.399 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.187 -8.001 2.805 1.00 0.00 H new ATOM 0 HB3 GLN A 71 15.904 -9.714 3.044 1.00 0.00 H new ATOM 0 HG2 GLN A 71 18.280 -9.399 2.530 1.00 0.00 H new ATOM 0 HG3 GLN A 71 17.532 -10.217 1.172 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.606 -6.962 2.315 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.811 -6.295 0.692 1.00 0.00 H new ATOM 1155 N ALA A 72 14.734 -10.445 -0.693 1.00 0.00 N ATOM 1156 CA ALA A 72 14.577 -11.785 -1.331 1.00 0.00 C ATOM 1157 C ALA A 72 13.489 -12.581 -0.603 1.00 0.00 C ATOM 1158 O ALA A 72 13.229 -13.725 -0.921 1.00 0.00 O ATOM 1159 CB ALA A 72 15.902 -12.547 -1.259 1.00 0.00 C ATOM 0 H ALA A 72 14.628 -9.650 -1.323 1.00 0.00 H new ATOM 0 HA ALA A 72 14.290 -11.654 -2.374 1.00 0.00 H new ATOM 0 HB1 ALA A 72 15.785 -13.525 -1.725 1.00 0.00 H new ATOM 0 HB2 ALA A 72 16.674 -11.985 -1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 72 16.192 -12.675 -0.216 1.00 0.00 H new ATOM 1165 N GLY A 73 12.849 -11.988 0.368 1.00 0.00 N ATOM 1166 CA GLY A 73 11.780 -12.714 1.110 1.00 0.00 C ATOM 1167 C GLY A 73 10.703 -13.185 0.131 1.00 0.00 C ATOM 1168 O GLY A 73 10.662 -12.767 -1.010 1.00 0.00 O ATOM 0 H GLY A 73 13.021 -11.032 0.679 1.00 0.00 H new ATOM 0 HA2 GLY A 73 12.205 -13.568 1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.340 -12.062 1.864 1.00 0.00 H new ATOM 1172 N GLU A 74 9.829 -14.054 0.566 1.00 0.00 N ATOM 1173 CA GLU A 74 8.750 -14.558 -0.336 1.00 0.00 C ATOM 1174 C GLU A 74 7.498 -13.694 -0.169 1.00 0.00 C ATOM 1175 O GLU A 74 6.906 -13.745 0.896 1.00 0.00 O ATOM 1176 CB GLU A 74 8.418 -16.007 0.032 1.00 0.00 C ATOM 1177 CG GLU A 74 7.327 -16.539 -0.900 1.00 0.00 C ATOM 1178 CD GLU A 74 7.273 -18.067 -0.807 1.00 0.00 C ATOM 1179 OE1 GLU A 74 7.561 -18.585 0.258 1.00 0.00 O ATOM 1180 OE2 GLU A 74 6.942 -18.691 -1.803 1.00 0.00 O ATOM 1181 OXT GLU A 74 7.151 -12.999 -1.110 1.00 0.00 O ATOM 0 H GLU A 74 9.815 -14.438 1.511 1.00 0.00 H new ATOM 0 HA GLU A 74 9.089 -14.510 -1.371 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.311 -16.626 -0.047 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.083 -16.062 1.068 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.361 -16.113 -0.627 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.531 -16.234 -1.926 1.00 0.00 H new TER 1188 GLU A 74