USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 THR OG1 : rot 180:sc= -0.324 USER MOD Set 1.2: A 87 GLN : amide:sc= -9.09! C(o=-9.4!,f=-22!) USER MOD Set 2.1: A 69 SER OG : rot -69:sc= 0.285 USER MOD Set 2.2: A 70 ASN : amide:sc= -0.706 K(o=-0.42,f=-2) USER MOD Set 3.1: A 66 ASN : amide:sc= -8.55! C(o=-13!,f=-13!) USER MOD Set 3.2: A 73 GLN : amide:sc= -4.91! C(o=-13!,f=-13!) USER MOD Set 4.1: A 31 THR OG1 : rot 154:sc= -7.33! USER MOD Set 4.2: A 39 GLN : amide:sc= -8.59! C(o=-16!,f=-17!) USER MOD Set 5.1: A 1 GLY N :NH3+ -156:sc= -23.9! (180deg=-14.8!) USER MOD Set 5.2: A 23 ASN : amide:sc= -20.2! C(o=-44!,f=-43!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 30:sc= 0.907 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.0419 X(o=-0.042,f=-0.47) USER MOD Single : A 12 ASN : amide:sc= -1.48! C(o=-1.5!,f=-2.9!) USER MOD Single : A 13 ASN : amide:sc= -2.87 K(o=-2.9,f=-3.6) USER MOD Single : A 18 ASN : amide:sc= -5.54! C(o=-5.5!,f=-17!) USER MOD Single : A 21 SER OG : rot 38:sc= 0.883 USER MOD Single : A 22 ASN : amide:sc= -5.01! C(o=-5!,f=-3.5!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot -16:sc= 0.841 USER MOD Single : A 34 SER OG : rot -38:sc= 0.814 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 140:sc= -6.11! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -175:sc= -1.73! (180deg=-2.2!) USER MOD Single : A 53 THR OG1 : rot -164:sc= -3.81! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -150:sc= -0.136 (180deg=-0.786) USER MOD Single : A 71 SER OG : rot -64:sc= 0.735 USER MOD Single : A 72 LYS NZ :NH3+ -138:sc= 0.344 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HE2:sc= -5.24! C(o=-5.2!,f=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.051 -5.393 3.811 1.00 1.00 N ATOM 2 CA GLY A 1 6.707 -6.255 2.868 1.00 1.00 C ATOM 3 C GLY A 1 6.422 -7.510 3.492 1.00 1.00 C ATOM 4 O GLY A 1 7.157 -8.433 3.296 1.00 1.00 O ATOM 0 H1 GLY A 1 6.871 -4.424 3.478 1.00 1.00 H new ATOM 0 H2 GLY A 1 6.491 -5.575 4.668 1.00 1.00 H new ATOM 0 H3 GLY A 1 8.062 -5.502 4.029 1.00 1.00 H new ATOM 0 HA2 GLY A 1 5.834 -5.894 2.323 1.00 1.00 H new ATOM 0 HA3 GLY A 1 7.512 -6.366 2.142 1.00 1.00 H new ATOM 10 N SER A 2 5.293 -7.625 4.368 1.00 1.00 N ATOM 11 CA SER A 2 5.049 -8.954 5.028 1.00 1.00 C ATOM 12 C SER A 2 3.939 -9.735 4.354 1.00 1.00 C ATOM 13 O SER A 2 4.176 -10.820 3.804 1.00 1.00 O ATOM 14 CB SER A 2 4.758 -8.763 6.476 1.00 1.00 C ATOM 15 OG SER A 2 5.306 -9.840 7.228 1.00 1.00 O ATOM 0 H SER A 2 4.630 -6.883 4.590 1.00 1.00 H new ATOM 0 HA SER A 2 5.959 -9.544 4.923 1.00 1.00 H new ATOM 0 HB2 SER A 2 5.179 -7.818 6.819 1.00 1.00 H new ATOM 0 HB3 SER A 2 3.681 -8.708 6.635 1.00 1.00 H new ATOM 0 HG SER A 2 5.112 -9.707 8.179 1.00 1.00 H new ATOM 21 N GLY A 3 2.792 -9.299 4.461 1.00 1.00 N ATOM 22 CA GLY A 3 1.683 -10.015 3.908 1.00 1.00 C ATOM 23 C GLY A 3 0.512 -9.110 3.714 1.00 1.00 C ATOM 24 O GLY A 3 0.546 -7.990 4.105 1.00 1.00 O ATOM 0 H GLY A 3 2.548 -8.428 4.933 1.00 1.00 H new ATOM 0 HA2 GLY A 3 1.969 -10.457 2.953 1.00 1.00 H new ATOM 0 HA3 GLY A 3 1.408 -10.836 4.570 1.00 1.00 H new ATOM 28 N PRO A 4 -0.522 -9.588 3.094 1.00 1.00 N ATOM 29 CA PRO A 4 -1.740 -8.755 2.808 1.00 1.00 C ATOM 30 C PRO A 4 -2.196 -8.175 3.941 1.00 1.00 C ATOM 31 O PRO A 4 -3.130 -8.660 4.539 1.00 1.00 O ATOM 32 CB PRO A 4 -2.776 -9.752 2.235 1.00 1.00 C ATOM 33 CG PRO A 4 -2.183 -11.131 2.512 1.00 1.00 C ATOM 34 CD PRO A 4 -0.652 -10.937 2.626 1.00 1.00 C ATOM 0 HA PRO A 4 -1.533 -7.942 2.112 1.00 1.00 H new ATOM 0 HB2 PRO A 4 -3.747 -9.635 2.717 1.00 1.00 H new ATOM 0 HB3 PRO A 4 -2.929 -9.594 1.167 1.00 1.00 H new ATOM 0 HG2 PRO A 4 -2.590 -11.551 3.432 1.00 1.00 H new ATOM 0 HG3 PRO A 4 -2.427 -11.827 1.709 1.00 1.00 H new ATOM 0 HD2 PRO A 4 -0.208 -11.648 3.322 1.00 1.00 H new ATOM 0 HD3 PRO A 4 -0.156 -11.079 1.666 1.00 1.00 H new ATOM 42 N THR A 5 -1.637 -7.149 4.307 1.00 1.00 N ATOM 43 CA THR A 5 -2.007 -6.508 5.457 1.00 1.00 C ATOM 44 C THR A 5 -0.937 -5.762 6.009 1.00 1.00 C ATOM 45 O THR A 5 -1.200 -5.004 6.799 1.00 1.00 O ATOM 46 CB THR A 5 -2.431 -7.480 6.636 1.00 1.00 C ATOM 47 OG1 THR A 5 -2.181 -6.840 7.908 1.00 1.00 O ATOM 48 CG2 THR A 5 -1.625 -8.890 6.604 1.00 1.00 C ATOM 0 H THR A 5 -0.873 -6.702 3.800 1.00 1.00 H new ATOM 0 HA THR A 5 -2.847 -5.893 5.133 1.00 1.00 H new ATOM 0 HB THR A 5 -3.492 -7.693 6.504 1.00 1.00 H new ATOM 0 HG1 THR A 5 -2.266 -5.869 7.808 1.00 1.00 H new ATOM 0 HG21 THR A 5 -1.955 -9.516 7.433 1.00 1.00 H new ATOM 0 HG22 THR A 5 -1.823 -9.401 5.662 1.00 1.00 H new ATOM 0 HG23 THR A 5 -0.556 -8.700 6.696 1.00 1.00 H new ATOM 56 N TYR A 6 0.484 -6.176 5.768 1.00 1.00 N ATOM 57 CA TYR A 6 1.512 -5.528 6.569 1.00 1.00 C ATOM 58 C TYR A 6 1.294 -4.348 6.863 1.00 1.00 C ATOM 59 O TYR A 6 1.769 -3.850 7.907 1.00 1.00 O ATOM 60 CB TYR A 6 2.921 -5.620 6.155 1.00 1.00 C ATOM 61 CG TYR A 6 3.822 -5.290 7.617 1.00 1.00 C ATOM 62 CD1 TYR A 6 4.090 -6.337 8.540 1.00 1.00 C ATOM 63 CD2 TYR A 6 4.257 -3.964 7.972 1.00 1.00 C ATOM 64 CE1 TYR A 6 4.772 -6.079 9.733 1.00 1.00 C ATOM 65 CE2 TYR A 6 4.936 -3.744 9.171 1.00 1.00 C ATOM 66 CZ TYR A 6 5.195 -4.797 10.040 1.00 1.00 C ATOM 67 OH TYR A 6 5.866 -4.561 11.223 1.00 1.00 O ATOM 0 H TYR A 6 0.803 -6.872 5.094 1.00 1.00 H new ATOM 0 HA TYR A 6 1.403 -6.181 7.435 1.00 1.00 H new ATOM 0 HB2 TYR A 6 3.155 -6.608 5.757 1.00 1.00 H new ATOM 0 HB3 TYR A 6 3.154 -4.898 5.372 1.00 1.00 H new ATOM 0 HD1 TYR A 6 3.764 -7.342 8.318 1.00 1.00 H new ATOM 0 HD2 TYR A 6 4.057 -3.136 7.308 1.00 1.00 H new ATOM 0 HE1 TYR A 6 4.971 -6.887 10.421 1.00 1.00 H new ATOM 0 HE2 TYR A 6 5.263 -2.747 9.426 1.00 1.00 H new ATOM 0 HH TYR A 6 6.094 -3.610 11.286 1.00 1.00 H new ATOM 77 N CYS A 7 0.552 -3.737 6.096 1.00 1.00 N ATOM 78 CA CYS A 7 0.253 -2.516 6.378 1.00 1.00 C ATOM 79 C CYS A 7 1.360 -1.648 6.596 1.00 1.00 C ATOM 80 O CYS A 7 1.389 -0.905 7.602 1.00 1.00 O ATOM 81 CB CYS A 7 -0.579 -2.514 7.609 1.00 1.00 C ATOM 82 SG CYS A 7 -1.290 -0.811 7.899 1.00 1.00 S ATOM 0 H CYS A 7 0.142 -4.112 5.240 1.00 1.00 H new ATOM 0 HA CYS A 7 -0.265 -2.129 5.500 1.00 1.00 H new ATOM 0 HB2 CYS A 7 -1.385 -3.242 7.514 1.00 1.00 H new ATOM 0 HB3 CYS A 7 0.024 -2.816 8.465 1.00 1.00 H new ATOM 87 N TRP A 8 2.232 -1.641 5.673 1.00 1.00 N ATOM 88 CA TRP A 8 3.342 -0.680 5.765 1.00 1.00 C ATOM 89 C TRP A 8 2.684 0.529 6.221 1.00 1.00 C ATOM 90 O TRP A 8 1.873 1.007 5.482 1.00 1.00 O ATOM 91 CB TRP A 8 3.923 -0.407 4.451 1.00 1.00 C ATOM 92 CG TRP A 8 5.204 0.588 4.644 1.00 1.00 C ATOM 93 CD1 TRP A 8 5.474 1.788 3.945 1.00 1.00 C ATOM 94 CD2 TRP A 8 6.360 0.463 5.633 1.00 1.00 C ATOM 95 NE1 TRP A 8 6.667 2.309 4.388 1.00 1.00 N ATOM 96 CE2 TRP A 8 7.242 1.549 5.432 1.00 1.00 C ATOM 97 CE3 TRP A 8 6.727 -0.496 6.670 1.00 1.00 C ATOM 98 CZ2 TRP A 8 8.416 1.695 6.204 1.00 1.00 C ATOM 99 CZ3 TRP A 8 7.896 -0.320 7.420 1.00 1.00 C ATOM 100 CH2 TRP A 8 8.730 0.765 7.188 1.00 1.00 C ATOM 0 H TRP A 8 2.237 -2.251 4.856 1.00 1.00 H new ATOM 0 HA TRP A 8 4.145 -1.044 6.406 1.00 1.00 H new ATOM 0 HB2 TRP A 8 4.234 -1.337 3.975 1.00 1.00 H new ATOM 0 HB3 TRP A 8 3.182 0.053 3.798 1.00 1.00 H new ATOM 0 HD1 TRP A 8 4.844 2.225 3.185 1.00 1.00 H new ATOM 0 HE1 TRP A 8 7.092 3.153 4.004 1.00 1.00 H new ATOM 0 HE3 TRP A 8 6.092 -1.348 6.860 1.00 1.00 H new ATOM 0 HZ2 TRP A 8 9.073 2.534 6.029 1.00 1.00 H new ATOM 0 HZ3 TRP A 8 8.152 -1.036 8.187 1.00 1.00 H new ATOM 0 HH2 TRP A 8 9.628 0.887 7.775 1.00 1.00 H new ATOM 111 N ASN A 9 2.850 0.998 7.495 1.00 1.00 N ATOM 112 CA ASN A 9 2.033 2.110 7.946 1.00 1.00 C ATOM 113 C ASN A 9 1.576 2.944 6.877 1.00 1.00 C ATOM 114 O ASN A 9 0.376 3.187 6.733 1.00 1.00 O ATOM 115 CB ASN A 9 2.744 2.940 9.044 1.00 1.00 C ATOM 116 CG ASN A 9 3.054 2.058 10.243 1.00 1.00 C ATOM 117 OD1 ASN A 9 2.194 1.298 10.696 1.00 1.00 O ATOM 118 ND2 ASN A 9 4.237 2.114 10.791 1.00 1.00 N ATOM 0 H ASN A 9 3.512 0.630 8.178 1.00 1.00 H new ATOM 0 HA ASN A 9 1.143 1.663 8.388 1.00 1.00 H new ATOM 0 HB2 ASN A 9 3.665 3.368 8.649 1.00 1.00 H new ATOM 0 HB3 ASN A 9 2.111 3.773 9.349 1.00 1.00 H new ATOM 0 HD21 ASN A 9 4.454 1.528 11.597 1.00 1.00 H new ATOM 0 HD22 ASN A 9 4.945 2.744 10.413 1.00 1.00 H new ATOM 125 N GLU A 10 2.469 3.398 6.126 1.00 1.00 N ATOM 126 CA GLU A 10 2.156 4.234 5.050 1.00 1.00 C ATOM 127 C GLU A 10 1.293 5.275 5.523 1.00 1.00 C ATOM 128 O GLU A 10 0.083 5.249 5.250 1.00 1.00 O ATOM 129 CB GLU A 10 1.367 3.514 3.892 1.00 1.00 C ATOM 130 CG GLU A 10 2.233 2.606 3.177 1.00 1.00 C ATOM 131 CD GLU A 10 1.401 1.552 2.397 1.00 1.00 C ATOM 132 OE1 GLU A 10 0.208 1.783 2.208 1.00 1.00 O ATOM 133 OE2 GLU A 10 1.970 0.543 2.009 1.00 1.00 O ATOM 0 H GLU A 10 3.464 3.201 6.235 1.00 1.00 H new ATOM 0 HA GLU A 10 3.108 4.589 4.655 1.00 1.00 H new ATOM 0 HB2 GLU A 10 0.520 2.967 4.307 1.00 1.00 H new ATOM 0 HB3 GLU A 10 0.961 4.256 3.204 1.00 1.00 H new ATOM 0 HG2 GLU A 10 2.862 3.165 2.484 1.00 1.00 H new ATOM 0 HG3 GLU A 10 2.900 2.104 3.878 1.00 1.00 H new ATOM 140 N ALA A 11 1.810 6.220 6.145 1.00 1.00 N ATOM 141 CA ALA A 11 1.103 7.262 6.557 1.00 1.00 C ATOM 142 C ALA A 11 2.094 7.984 7.385 1.00 1.00 C ATOM 143 O ALA A 11 2.514 7.449 8.395 1.00 1.00 O ATOM 144 CB ALA A 11 -0.112 6.893 7.352 1.00 1.00 C ATOM 0 H ALA A 11 2.801 6.267 6.383 1.00 1.00 H new ATOM 0 HA ALA A 11 0.687 7.839 5.731 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -0.638 7.799 7.654 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -0.772 6.276 6.743 1.00 1.00 H new ATOM 0 HB3 ALA A 11 0.189 6.336 8.239 1.00 1.00 H new ATOM 150 N ASN A 12 2.432 9.146 6.992 1.00 1.00 N ATOM 151 CA ASN A 12 3.420 10.039 7.713 1.00 1.00 C ATOM 152 C ASN A 12 4.348 10.857 6.645 1.00 1.00 C ATOM 153 O ASN A 12 5.541 11.058 6.861 1.00 1.00 O ATOM 154 CB ASN A 12 4.296 9.219 8.682 1.00 1.00 C ATOM 155 CG ASN A 12 5.526 10.010 9.130 1.00 1.00 C ATOM 156 OD1 ASN A 12 6.656 9.599 8.877 1.00 1.00 O ATOM 157 ND2 ASN A 12 5.367 11.130 9.789 1.00 1.00 N ATOM 0 H ASN A 12 2.054 9.570 6.145 1.00 1.00 H new ATOM 0 HA ASN A 12 2.855 10.764 8.299 1.00 1.00 H new ATOM 0 HB2 ASN A 12 3.707 8.934 9.554 1.00 1.00 H new ATOM 0 HB3 ASN A 12 4.613 8.296 8.196 1.00 1.00 H new ATOM 0 HD21 ASN A 12 6.182 11.663 10.093 1.00 1.00 H new ATOM 0 HD22 ASN A 12 4.428 11.470 9.998 1.00 1.00 H new ATOM 164 N ASN A 13 3.684 11.451 5.597 1.00 1.00 N ATOM 165 CA ASN A 13 4.355 12.354 4.634 1.00 1.00 C ATOM 166 C ASN A 13 3.391 12.737 3.419 1.00 1.00 C ATOM 167 O ASN A 13 2.405 12.047 3.157 1.00 1.00 O ATOM 168 CB ASN A 13 5.634 11.740 4.074 1.00 1.00 C ATOM 169 CG ASN A 13 6.803 12.751 4.077 1.00 1.00 C ATOM 170 OD1 ASN A 13 7.388 13.023 3.028 1.00 1.00 O ATOM 171 ND2 ASN A 13 7.165 13.314 5.193 1.00 1.00 N ATOM 0 H ASN A 13 2.691 11.313 5.411 1.00 1.00 H new ATOM 0 HA ASN A 13 4.609 13.256 5.191 1.00 1.00 H new ATOM 0 HB2 ASN A 13 5.907 10.866 4.665 1.00 1.00 H new ATOM 0 HB3 ASN A 13 5.456 11.393 3.056 1.00 1.00 H new ATOM 0 HD21 ASN A 13 7.935 13.983 5.201 1.00 1.00 H new ATOM 0 HD22 ASN A 13 6.678 13.087 6.060 1.00 1.00 H new ATOM 178 N PRO A 14 3.729 13.827 2.673 1.00 1.00 N ATOM 179 CA PRO A 14 2.953 14.295 1.471 1.00 1.00 C ATOM 180 C PRO A 14 3.408 13.601 0.153 1.00 1.00 C ATOM 181 O PRO A 14 2.582 13.215 -0.673 1.00 1.00 O ATOM 182 CB PRO A 14 3.244 15.828 1.416 1.00 1.00 C ATOM 183 CG PRO A 14 4.224 16.070 2.538 1.00 1.00 C ATOM 184 CD PRO A 14 4.819 14.698 2.905 1.00 1.00 C ATOM 0 HA PRO A 14 1.893 14.055 1.559 1.00 1.00 H new ATOM 0 HB2 PRO A 14 3.665 16.117 0.453 1.00 1.00 H new ATOM 0 HB3 PRO A 14 2.333 16.410 1.553 1.00 1.00 H new ATOM 0 HG2 PRO A 14 5.007 16.761 2.226 1.00 1.00 H new ATOM 0 HG3 PRO A 14 3.726 16.519 3.397 1.00 1.00 H new ATOM 0 HD2 PRO A 14 5.679 14.448 2.284 1.00 1.00 H new ATOM 0 HD3 PRO A 14 5.154 14.664 3.942 1.00 1.00 H new ATOM 192 N GLY A 15 4.693 13.436 0.001 1.00 1.00 N ATOM 193 CA GLY A 15 5.256 12.747 -1.222 1.00 1.00 C ATOM 194 C GLY A 15 4.532 11.490 -1.390 1.00 1.00 C ATOM 195 O GLY A 15 3.958 11.174 -2.413 1.00 1.00 O ATOM 0 H GLY A 15 5.394 13.748 0.673 1.00 1.00 H new ATOM 0 HA2 GLY A 15 5.140 13.377 -2.104 1.00 1.00 H new ATOM 0 HA3 GLY A 15 6.323 12.561 -1.100 1.00 1.00 H new ATOM 199 N GLY A 16 4.590 10.856 -0.387 1.00 1.00 N ATOM 200 CA GLY A 16 3.990 9.589 -0.180 1.00 1.00 C ATOM 201 C GLY A 16 3.676 9.520 1.208 1.00 1.00 C ATOM 202 O GLY A 16 3.627 10.547 1.863 1.00 1.00 O ATOM 0 H GLY A 16 5.096 11.189 0.434 1.00 1.00 H new ATOM 0 HA2 GLY A 16 3.092 9.479 -0.788 1.00 1.00 H new ATOM 0 HA3 GLY A 16 4.669 8.785 -0.466 1.00 1.00 H new ATOM 206 N PRO A 17 3.476 8.388 1.759 1.00 1.00 N ATOM 207 CA PRO A 17 3.175 8.294 3.206 1.00 1.00 C ATOM 208 C PRO A 17 4.401 8.577 3.838 1.00 1.00 C ATOM 209 O PRO A 17 5.168 9.275 3.268 1.00 1.00 O ATOM 210 CB PRO A 17 2.833 6.811 3.309 1.00 1.00 C ATOM 211 CG PRO A 17 2.510 6.404 1.972 1.00 1.00 C ATOM 212 CD PRO A 17 3.490 7.102 1.160 1.00 1.00 C ATOM 0 HA PRO A 17 2.402 8.938 3.625 1.00 1.00 H new ATOM 0 HB2 PRO A 17 3.674 6.240 3.702 1.00 1.00 H new ATOM 0 HB3 PRO A 17 1.993 6.647 3.984 1.00 1.00 H new ATOM 0 HG2 PRO A 17 2.586 5.323 1.852 1.00 1.00 H new ATOM 0 HG3 PRO A 17 1.492 6.684 1.702 1.00 1.00 H new ATOM 0 HD2 PRO A 17 4.474 6.635 1.210 1.00 1.00 H new ATOM 0 HD3 PRO A 17 3.205 7.134 0.108 1.00 1.00 H new ATOM 220 N ASN A 18 4.703 7.947 5.047 1.00 1.00 N ATOM 221 CA ASN A 18 6.037 8.107 5.654 1.00 1.00 C ATOM 222 C ASN A 18 7.100 8.121 4.484 1.00 1.00 C ATOM 223 O ASN A 18 8.291 8.336 4.686 1.00 1.00 O ATOM 224 CB ASN A 18 6.341 6.838 6.604 1.00 1.00 C ATOM 225 CG ASN A 18 5.148 5.877 6.611 1.00 1.00 C ATOM 226 OD1 ASN A 18 4.064 6.231 7.072 1.00 1.00 O ATOM 227 ND2 ASN A 18 5.290 4.677 6.122 1.00 1.00 N ATOM 0 H ASN A 18 4.056 7.359 5.573 1.00 1.00 H new ATOM 0 HA ASN A 18 6.083 9.026 6.238 1.00 1.00 H new ATOM 0 HB2 ASN A 18 7.232 6.318 6.253 1.00 1.00 H new ATOM 0 HB3 ASN A 18 6.549 7.177 7.619 1.00 1.00 H new ATOM 0 HD21 ASN A 18 4.501 4.030 6.121 1.00 1.00 H new ATOM 0 HD22 ASN A 18 6.190 4.385 5.740 1.00 1.00 H new ATOM 234 N ARG A 19 6.509 7.811 3.238 1.00 1.00 N ATOM 235 CA ARG A 19 7.140 7.702 2.015 1.00 1.00 C ATOM 236 C ARG A 19 7.578 6.421 1.967 1.00 1.00 C ATOM 237 O ARG A 19 8.578 6.099 2.546 1.00 1.00 O ATOM 238 CB ARG A 19 8.217 8.822 1.786 1.00 1.00 C ATOM 239 CG ARG A 19 7.518 10.009 1.073 1.00 1.00 C ATOM 240 CD ARG A 19 7.577 9.789 -0.481 1.00 1.00 C ATOM 241 NE ARG A 19 8.791 10.390 -1.034 1.00 1.00 N ATOM 242 CZ ARG A 19 8.989 10.443 -2.345 1.00 1.00 C ATOM 243 NH1 ARG A 19 8.096 9.950 -3.155 1.00 1.00 N ATOM 244 NH2 ARG A 19 10.074 10.985 -2.824 1.00 1.00 N ATOM 0 H ARG A 19 5.507 7.636 3.161 1.00 1.00 H new ATOM 0 HA ARG A 19 6.478 7.886 1.169 1.00 1.00 H new ATOM 0 HB2 ARG A 19 8.642 9.144 2.737 1.00 1.00 H new ATOM 0 HB3 ARG A 19 9.040 8.443 1.180 1.00 1.00 H new ATOM 0 HG2 ARG A 19 6.482 10.086 1.402 1.00 1.00 H new ATOM 0 HG3 ARG A 19 8.007 10.946 1.338 1.00 1.00 H new ATOM 0 HD2 ARG A 19 7.557 8.722 -0.705 1.00 1.00 H new ATOM 0 HD3 ARG A 19 6.698 10.230 -0.951 1.00 1.00 H new ATOM 0 HE ARG A 19 9.495 10.773 -0.403 1.00 1.00 H new ATOM 0 HH11 ARG A 19 7.248 9.525 -2.781 1.00 1.00 H new ATOM 0 HH12 ARG A 19 8.245 9.989 -4.163 1.00 1.00 H new ATOM 0 HH21 ARG A 19 10.774 11.370 -2.190 1.00 1.00 H new ATOM 0 HH22 ARG A 19 10.222 11.024 -3.832 1.00 1.00 H new ATOM 258 N CYS A 20 6.650 5.507 1.178 1.00 1.00 N ATOM 259 CA CYS A 20 6.876 4.020 0.993 1.00 1.00 C ATOM 260 C CYS A 20 8.315 3.954 1.458 1.00 1.00 C ATOM 261 O CYS A 20 9.145 4.686 0.913 1.00 1.00 O ATOM 262 CB CYS A 20 6.613 3.664 -0.539 1.00 1.00 C ATOM 263 SG CYS A 20 6.601 1.784 -1.033 1.00 1.00 S ATOM 0 H CYS A 20 5.805 5.845 0.718 1.00 1.00 H new ATOM 0 HA CYS A 20 6.242 3.309 1.522 1.00 1.00 H new ATOM 0 HB2 CYS A 20 5.652 4.093 -0.824 1.00 1.00 H new ATOM 0 HB3 CYS A 20 7.375 4.164 -1.136 1.00 1.00 H new ATOM 268 N SER A 21 8.604 3.245 2.474 1.00 1.00 N ATOM 269 CA SER A 21 10.026 3.331 3.062 1.00 1.00 C ATOM 270 C SER A 21 10.740 2.020 3.482 1.00 1.00 C ATOM 271 O SER A 21 11.816 2.092 4.018 1.00 1.00 O ATOM 272 CB SER A 21 9.901 4.291 4.264 1.00 1.00 C ATOM 273 OG SER A 21 10.800 3.904 5.293 1.00 1.00 O ATOM 0 H SER A 21 7.966 2.607 2.950 1.00 1.00 H new ATOM 0 HA SER A 21 10.680 3.667 2.258 1.00 1.00 H new ATOM 0 HB2 SER A 21 10.116 5.312 3.948 1.00 1.00 H new ATOM 0 HB3 SER A 21 8.878 4.282 4.641 1.00 1.00 H new ATOM 0 HG SER A 21 11.638 3.589 4.894 1.00 1.00 H new ATOM 279 N ASN A 22 10.198 0.889 3.177 1.00 1.00 N ATOM 280 CA ASN A 22 10.903 -0.427 3.494 1.00 1.00 C ATOM 281 C ASN A 22 10.369 -1.447 2.658 1.00 1.00 C ATOM 282 O ASN A 22 9.411 -1.239 2.003 1.00 1.00 O ATOM 283 CB ASN A 22 10.709 -0.831 4.955 1.00 1.00 C ATOM 284 CG ASN A 22 11.728 -0.133 5.897 1.00 1.00 C ATOM 285 OD1 ASN A 22 11.587 -0.207 7.118 1.00 1.00 O ATOM 286 ND2 ASN A 22 12.739 0.511 5.409 1.00 1.00 N ATOM 0 H ASN A 22 9.292 0.790 2.719 1.00 1.00 H new ATOM 0 HA ASN A 22 11.970 -0.295 3.316 1.00 1.00 H new ATOM 0 HB2 ASN A 22 9.696 -0.579 5.268 1.00 1.00 H new ATOM 0 HB3 ASN A 22 10.812 -1.912 5.048 1.00 1.00 H new ATOM 0 HD21 ASN A 22 13.412 0.953 6.035 1.00 1.00 H new ATOM 0 HD22 ASN A 22 12.862 0.577 4.399 1.00 1.00 H new ATOM 293 N ASN A 23 10.959 -2.632 2.715 1.00 1.00 N ATOM 294 CA ASN A 23 10.446 -3.690 1.950 1.00 1.00 C ATOM 295 C ASN A 23 10.084 -3.208 0.503 1.00 1.00 C ATOM 296 O ASN A 23 8.959 -3.297 0.092 1.00 1.00 O ATOM 297 CB ASN A 23 9.165 -4.285 2.738 1.00 1.00 C ATOM 298 CG ASN A 23 8.884 -3.542 4.118 1.00 1.00 C ATOM 299 OD1 ASN A 23 8.722 -2.380 4.166 1.00 1.00 O ATOM 300 ND2 ASN A 23 8.823 -4.240 5.235 1.00 1.00 N ATOM 0 H ASN A 23 11.778 -2.855 3.281 1.00 1.00 H new ATOM 0 HA ASN A 23 11.191 -4.476 1.826 1.00 1.00 H new ATOM 0 HB2 ASN A 23 8.284 -4.203 2.102 1.00 1.00 H new ATOM 0 HB3 ASN A 23 9.323 -5.346 2.929 1.00 1.00 H new ATOM 0 HD21 ASN A 23 8.638 -3.770 6.121 1.00 1.00 H new ATOM 0 HD22 ASN A 23 8.961 -5.250 5.213 1.00 1.00 H new ATOM 307 N LYS A 24 11.110 -2.559 -0.183 1.00 1.00 N ATOM 308 CA LYS A 24 10.953 -1.903 -1.532 1.00 1.00 C ATOM 309 C LYS A 24 10.310 -0.590 -1.348 1.00 1.00 C ATOM 310 O LYS A 24 10.053 0.100 -2.306 1.00 1.00 O ATOM 311 CB LYS A 24 10.192 -2.705 -2.550 1.00 1.00 C ATOM 312 CG LYS A 24 10.950 -3.943 -2.972 1.00 1.00 C ATOM 313 CD LYS A 24 9.997 -4.864 -3.887 1.00 1.00 C ATOM 314 CE LYS A 24 10.695 -5.224 -5.228 1.00 1.00 C ATOM 315 NZ LYS A 24 10.631 -4.057 -6.148 1.00 1.00 N ATOM 0 H LYS A 24 12.056 -2.483 0.190 1.00 1.00 H new ATOM 0 HA LYS A 24 11.959 -1.810 -1.942 1.00 1.00 H new ATOM 0 HB2 LYS A 24 9.226 -2.994 -2.136 1.00 1.00 H new ATOM 0 HB3 LYS A 24 9.992 -2.086 -3.424 1.00 1.00 H new ATOM 0 HG2 LYS A 24 11.846 -3.664 -3.526 1.00 1.00 H new ATOM 0 HG3 LYS A 24 11.279 -4.499 -2.094 1.00 1.00 H new ATOM 0 HD2 LYS A 24 9.741 -5.777 -3.349 1.00 1.00 H new ATOM 0 HD3 LYS A 24 9.062 -4.340 -4.088 1.00 1.00 H new ATOM 0 HE2 LYS A 24 11.733 -5.502 -5.047 1.00 1.00 H new ATOM 0 HE3 LYS A 24 10.209 -6.087 -5.683 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 11.098 -4.297 -7.046 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 9.637 -3.812 -6.329 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 11.114 -3.245 -5.713 1.00 1.00 H new ATOM 329 N GLN A 25 10.075 -0.277 -0.066 1.00 1.00 N ATOM 330 CA GLN A 25 9.479 0.932 0.393 1.00 1.00 C ATOM 331 C GLN A 25 8.138 0.688 0.898 1.00 1.00 C ATOM 332 O GLN A 25 7.576 1.551 1.447 1.00 1.00 O ATOM 333 CB GLN A 25 9.502 2.060 -0.649 1.00 1.00 C ATOM 334 CG GLN A 25 10.898 2.693 -0.700 1.00 1.00 C ATOM 335 CD GLN A 25 11.324 3.006 -2.158 1.00 1.00 C ATOM 336 OE1 GLN A 25 12.390 2.583 -2.597 1.00 1.00 O ATOM 337 NE2 GLN A 25 10.545 3.722 -2.917 1.00 1.00 N ATOM 0 H GLN A 25 10.317 -0.909 0.697 1.00 1.00 H new ATOM 0 HA GLN A 25 10.096 1.288 1.218 1.00 1.00 H new ATOM 0 HB2 GLN A 25 9.235 1.667 -1.630 1.00 1.00 H new ATOM 0 HB3 GLN A 25 8.759 2.816 -0.396 1.00 1.00 H new ATOM 0 HG2 GLN A 25 10.905 3.611 -0.112 1.00 1.00 H new ATOM 0 HG3 GLN A 25 11.622 2.018 -0.245 1.00 1.00 H new ATOM 0 HE21 GLN A 25 9.660 4.073 -2.552 1.00 1.00 H new ATOM 0 HE22 GLN A 25 10.820 3.932 -3.877 1.00 1.00 H new ATOM 346 N CYS A 26 7.561 -0.489 0.728 1.00 1.00 N ATOM 347 CA CYS A 26 6.169 -0.659 1.260 1.00 1.00 C ATOM 348 C CYS A 26 6.074 -1.687 2.492 1.00 1.00 C ATOM 349 O CYS A 26 6.860 -1.622 3.353 1.00 1.00 O ATOM 350 CB CYS A 26 5.245 -0.872 -0.009 1.00 1.00 C ATOM 351 SG CYS A 26 4.773 0.896 -0.639 1.00 1.00 S ATOM 0 H CYS A 26 7.973 -1.300 0.267 1.00 1.00 H new ATOM 0 HA CYS A 26 5.788 0.221 1.779 1.00 1.00 H new ATOM 0 HB2 CYS A 26 5.770 -1.433 -0.782 1.00 1.00 H new ATOM 0 HB3 CYS A 26 4.354 -1.443 0.250 1.00 1.00 H new ATOM 356 N ASP A 27 5.137 -2.546 2.465 1.00 1.00 N ATOM 357 CA ASP A 27 4.878 -3.517 3.396 1.00 1.00 C ATOM 358 C ASP A 27 3.628 -4.062 3.028 1.00 1.00 C ATOM 359 O ASP A 27 2.734 -3.360 2.545 1.00 1.00 O ATOM 360 CB ASP A 27 5.015 -3.094 4.880 1.00 1.00 C ATOM 361 CG ASP A 27 5.713 -4.192 5.724 1.00 1.00 C ATOM 362 OD1 ASP A 27 5.413 -5.350 5.527 1.00 1.00 O ATOM 363 OD2 ASP A 27 6.537 -3.837 6.551 1.00 1.00 O ATOM 0 H ASP A 27 4.468 -2.572 1.695 1.00 1.00 H new ATOM 0 HA ASP A 27 5.656 -4.280 3.373 1.00 1.00 H new ATOM 0 HB2 ASP A 27 5.586 -2.167 4.944 1.00 1.00 H new ATOM 0 HB3 ASP A 27 4.027 -2.889 5.293 1.00 1.00 H new ATOM 368 N GLY A 28 3.564 -5.349 3.110 1.00 1.00 N ATOM 369 CA GLY A 28 2.483 -6.081 2.669 1.00 1.00 C ATOM 370 C GLY A 28 2.980 -7.399 1.849 1.00 1.00 C ATOM 371 O GLY A 28 2.262 -7.951 1.161 1.00 1.00 O ATOM 0 H GLY A 28 4.310 -5.920 3.508 1.00 1.00 H new ATOM 0 HA2 GLY A 28 1.871 -6.384 3.519 1.00 1.00 H new ATOM 0 HA3 GLY A 28 1.855 -5.462 2.028 1.00 1.00 H new ATOM 375 N ALA A 29 4.224 -7.834 2.092 1.00 1.00 N ATOM 376 CA ALA A 29 4.832 -9.106 1.478 1.00 1.00 C ATOM 377 C ALA A 29 6.271 -8.982 1.048 1.00 1.00 C ATOM 378 O ALA A 29 6.973 -9.997 1.016 1.00 1.00 O ATOM 379 CB ALA A 29 3.945 -9.701 0.333 1.00 1.00 C ATOM 0 H ALA A 29 4.866 -7.342 2.713 1.00 1.00 H new ATOM 0 HA ALA A 29 4.841 -9.816 2.305 1.00 1.00 H new ATOM 0 HB1 ALA A 29 4.419 -10.597 -0.066 1.00 1.00 H new ATOM 0 HB2 ALA A 29 2.962 -9.956 0.729 1.00 1.00 H new ATOM 0 HB3 ALA A 29 3.835 -8.964 -0.462 1.00 1.00 H new ATOM 385 N ARG A 30 6.736 -7.805 0.638 1.00 1.00 N ATOM 386 CA ARG A 30 8.176 -7.736 0.122 1.00 1.00 C ATOM 387 C ARG A 30 9.223 -8.587 1.062 1.00 1.00 C ATOM 388 O ARG A 30 8.896 -9.194 2.062 1.00 1.00 O ATOM 389 CB ARG A 30 8.750 -6.168 -0.284 1.00 1.00 C ATOM 390 CG ARG A 30 7.799 -5.493 -1.204 1.00 1.00 C ATOM 391 CD ARG A 30 6.704 -4.532 -0.524 1.00 1.00 C ATOM 392 NE ARG A 30 6.894 -3.226 -1.069 1.00 1.00 N ATOM 393 CZ ARG A 30 6.756 -3.012 -2.399 1.00 1.00 C ATOM 394 NH1 ARG A 30 6.260 -3.945 -3.144 1.00 1.00 N ATOM 395 NH2 ARG A 30 7.065 -1.854 -2.916 1.00 1.00 N ATOM 0 H ARG A 30 6.216 -6.928 0.634 1.00 1.00 H new ATOM 0 HA ARG A 30 8.132 -8.239 -0.844 1.00 1.00 H new ATOM 0 HB2 ARG A 30 8.875 -5.573 0.621 1.00 1.00 H new ATOM 0 HB3 ARG A 30 9.730 -6.243 -0.754 1.00 1.00 H new ATOM 0 HG2 ARG A 30 8.375 -4.903 -1.917 1.00 1.00 H new ATOM 0 HG3 ARG A 30 7.274 -6.259 -1.774 1.00 1.00 H new ATOM 0 HD2 ARG A 30 5.696 -4.892 -0.729 1.00 1.00 H new ATOM 0 HD3 ARG A 30 6.823 -4.518 0.559 1.00 1.00 H new ATOM 0 HE ARG A 30 7.135 -2.450 -0.453 1.00 1.00 H new ATOM 0 HH11 ARG A 30 5.977 -4.833 -2.729 1.00 1.00 H new ATOM 0 HH12 ARG A 30 6.152 -3.793 -4.147 1.00 1.00 H new ATOM 0 HH21 ARG A 30 7.412 -1.105 -2.318 1.00 1.00 H new ATOM 0 HH22 ARG A 30 6.959 -1.698 -3.918 1.00 1.00 H new ATOM 409 N THR A 31 10.339 -8.643 0.548 1.00 1.00 N ATOM 410 CA THR A 31 11.407 -9.351 0.963 1.00 1.00 C ATOM 411 C THR A 31 12.602 -8.629 0.799 1.00 1.00 C ATOM 412 O THR A 31 12.712 -8.073 -0.121 1.00 1.00 O ATOM 413 CB THR A 31 11.443 -10.480 -0.136 1.00 1.00 C ATOM 414 OG1 THR A 31 11.806 -10.008 -1.369 1.00 1.00 O ATOM 415 CG2 THR A 31 10.044 -11.100 -0.229 1.00 1.00 C ATOM 0 H THR A 31 10.550 -8.113 -0.298 1.00 1.00 H new ATOM 0 HA THR A 31 11.333 -9.652 2.008 1.00 1.00 H new ATOM 0 HB THR A 31 12.193 -11.214 0.159 1.00 1.00 H new ATOM 0 HG1 THR A 31 12.206 -10.734 -1.892 1.00 1.00 H new ATOM 0 HG21 THR A 31 10.044 -11.886 -0.985 1.00 1.00 H new ATOM 0 HG22 THR A 31 9.769 -11.525 0.736 1.00 1.00 H new ATOM 0 HG23 THR A 31 9.323 -10.331 -0.505 1.00 1.00 H new ATOM 423 N CYS A 32 13.507 -8.561 1.687 1.00 1.00 N ATOM 424 CA CYS A 32 14.766 -7.646 1.342 1.00 1.00 C ATOM 425 C CYS A 32 15.709 -8.349 0.465 1.00 1.00 C ATOM 426 O CYS A 32 15.439 -9.411 -0.064 1.00 1.00 O ATOM 427 CB CYS A 32 15.452 -6.931 2.645 1.00 1.00 C ATOM 428 SG CYS A 32 16.761 -5.761 2.194 1.00 1.00 S ATOM 0 H CYS A 32 13.510 -9.030 2.593 1.00 1.00 H new ATOM 0 HA CYS A 32 14.391 -6.797 0.771 1.00 1.00 H new ATOM 0 HB2 CYS A 32 14.683 -6.408 3.214 1.00 1.00 H new ATOM 0 HB3 CYS A 32 15.866 -7.698 3.299 1.00 1.00 H new ATOM 433 N SER A 33 16.775 -7.774 0.349 1.00 1.00 N ATOM 434 CA SER A 33 17.887 -8.387 -0.527 1.00 1.00 C ATOM 435 C SER A 33 18.573 -9.439 0.224 1.00 1.00 C ATOM 436 O SER A 33 19.476 -10.129 -0.244 1.00 1.00 O ATOM 437 CB SER A 33 18.747 -7.413 -1.109 1.00 1.00 C ATOM 438 OG SER A 33 19.847 -8.061 -1.743 1.00 1.00 O ATOM 0 H SER A 33 17.011 -6.888 0.796 1.00 1.00 H new ATOM 0 HA SER A 33 17.431 -8.857 -1.398 1.00 1.00 H new ATOM 0 HB2 SER A 33 18.196 -6.815 -1.836 1.00 1.00 H new ATOM 0 HB3 SER A 33 19.109 -6.728 -0.342 1.00 1.00 H new ATOM 0 HG SER A 33 19.912 -8.985 -1.422 1.00 1.00 H new ATOM 444 N SER A 34 18.056 -9.598 1.290 1.00 1.00 N ATOM 445 CA SER A 34 18.328 -10.559 2.245 1.00 1.00 C ATOM 446 C SER A 34 16.894 -11.230 2.608 1.00 1.00 C ATOM 447 O SER A 34 16.783 -11.944 3.604 1.00 1.00 O ATOM 448 CB SER A 34 18.916 -9.904 3.432 1.00 1.00 C ATOM 449 OG SER A 34 19.154 -10.874 4.446 1.00 1.00 O ATOM 0 H SER A 34 17.308 -8.977 1.597 1.00 1.00 H new ATOM 0 HA SER A 34 19.035 -11.312 1.897 1.00 1.00 H new ATOM 0 HB2 SER A 34 19.849 -9.410 3.162 1.00 1.00 H new ATOM 0 HB3 SER A 34 18.243 -9.132 3.804 1.00 1.00 H new ATOM 0 HG SER A 34 18.426 -11.530 4.448 1.00 1.00 H new ATOM 455 N SER A 35 15.765 -10.958 1.692 1.00 1.00 N ATOM 456 CA SER A 35 14.513 -11.461 1.850 1.00 1.00 C ATOM 457 C SER A 35 13.900 -10.912 3.002 1.00 1.00 C ATOM 458 O SER A 35 12.724 -11.143 3.279 1.00 1.00 O ATOM 459 CB SER A 35 14.519 -12.909 1.945 1.00 1.00 C ATOM 460 OG SER A 35 15.209 -13.463 0.835 1.00 1.00 O ATOM 0 H SER A 35 15.857 -10.364 0.868 1.00 1.00 H new ATOM 0 HA SER A 35 13.941 -11.183 0.965 1.00 1.00 H new ATOM 0 HB2 SER A 35 14.998 -13.219 2.874 1.00 1.00 H new ATOM 0 HB3 SER A 35 13.496 -13.285 1.973 1.00 1.00 H new ATOM 0 HG SER A 35 15.211 -14.440 0.906 1.00 1.00 H new ATOM 466 N GLY A 36 14.703 -10.179 3.730 1.00 1.00 N ATOM 467 CA GLY A 36 14.266 -9.584 4.909 1.00 1.00 C ATOM 468 C GLY A 36 12.972 -8.967 4.655 1.00 1.00 C ATOM 469 O GLY A 36 11.952 -9.472 5.087 1.00 1.00 O ATOM 0 H GLY A 36 15.679 -9.994 3.497 1.00 1.00 H new ATOM 0 HA2 GLY A 36 14.184 -10.327 5.702 1.00 1.00 H new ATOM 0 HA3 GLY A 36 14.984 -8.836 5.246 1.00 1.00 H new ATOM 473 N PHE A 37 12.998 -7.891 3.950 1.00 1.00 N ATOM 474 CA PHE A 37 11.890 -7.215 3.633 1.00 1.00 C ATOM 475 C PHE A 37 12.324 -5.934 2.957 1.00 1.00 C ATOM 476 O PHE A 37 12.338 -4.904 3.602 1.00 1.00 O ATOM 477 CB PHE A 37 10.999 -6.888 4.962 1.00 1.00 C ATOM 478 CG PHE A 37 11.860 -6.243 6.082 1.00 1.00 C ATOM 479 CD1 PHE A 37 12.576 -7.054 7.002 1.00 1.00 C ATOM 480 CD2 PHE A 37 11.943 -4.825 6.194 1.00 1.00 C ATOM 481 CE1 PHE A 37 13.357 -6.463 7.999 1.00 1.00 C ATOM 482 CE2 PHE A 37 12.728 -4.250 7.203 1.00 1.00 C ATOM 483 CZ PHE A 37 13.436 -5.068 8.100 1.00 1.00 C ATOM 0 H PHE A 37 13.856 -7.478 3.584 1.00 1.00 H new ATOM 0 HA PHE A 37 11.263 -7.810 2.969 1.00 1.00 H new ATOM 0 HB2 PHE A 37 10.183 -6.216 4.697 1.00 1.00 H new ATOM 0 HB3 PHE A 37 10.547 -7.808 5.333 1.00 1.00 H new ATOM 0 HD1 PHE A 37 12.517 -8.130 6.931 1.00 1.00 H new ATOM 0 HD2 PHE A 37 11.402 -4.195 5.503 1.00 1.00 H new ATOM 0 HE1 PHE A 37 13.902 -7.084 8.694 1.00 1.00 H new ATOM 0 HE2 PHE A 37 12.789 -3.175 7.291 1.00 1.00 H new ATOM 0 HZ PHE A 37 14.044 -4.619 8.871 1.00 1.00 H new ATOM 493 N CYS A 38 12.766 -5.964 1.518 1.00 1.00 N ATOM 494 CA CYS A 38 13.217 -4.743 0.764 1.00 1.00 C ATOM 495 C CYS A 38 13.402 -5.045 -0.654 1.00 1.00 C ATOM 496 O CYS A 38 14.136 -4.386 -1.388 1.00 1.00 O ATOM 497 CB CYS A 38 14.472 -4.094 1.382 1.00 1.00 C ATOM 498 SG CYS A 38 15.974 -4.789 0.677 1.00 1.00 S ATOM 0 H CYS A 38 12.788 -6.818 0.961 1.00 1.00 H new ATOM 0 HA CYS A 38 12.422 -4.002 0.849 1.00 1.00 H new ATOM 0 HB2 CYS A 38 14.450 -3.018 1.211 1.00 1.00 H new ATOM 0 HB3 CYS A 38 14.469 -4.245 2.461 1.00 1.00 H new ATOM 503 N GLN A 39 12.767 -6.048 -0.998 1.00 1.00 N ATOM 504 CA GLN A 39 12.774 -6.608 -2.280 1.00 1.00 C ATOM 505 C GLN A 39 11.579 -7.545 -2.392 1.00 1.00 C ATOM 506 O GLN A 39 11.134 -8.019 -1.473 1.00 1.00 O ATOM 507 CB GLN A 39 14.189 -7.314 -2.460 1.00 1.00 C ATOM 508 CG GLN A 39 14.150 -8.808 -2.368 1.00 1.00 C ATOM 509 CD GLN A 39 13.369 -9.393 -3.544 1.00 1.00 C ATOM 510 OE1 GLN A 39 12.963 -10.554 -3.510 1.00 1.00 O ATOM 511 NE2 GLN A 39 13.131 -8.643 -4.588 1.00 1.00 N ATOM 0 H GLN A 39 12.169 -6.560 -0.349 1.00 1.00 H new ATOM 0 HA GLN A 39 12.664 -5.881 -3.085 1.00 1.00 H new ATOM 0 HB2 GLN A 39 14.602 -7.032 -3.429 1.00 1.00 H new ATOM 0 HB3 GLN A 39 14.871 -6.933 -1.700 1.00 1.00 H new ATOM 0 HG2 GLN A 39 15.165 -9.205 -2.364 1.00 1.00 H new ATOM 0 HG3 GLN A 39 13.686 -9.109 -1.429 1.00 1.00 H new ATOM 0 HE21 GLN A 39 13.469 -7.681 -4.613 1.00 1.00 H new ATOM 0 HE22 GLN A 39 12.607 -9.020 -5.378 1.00 1.00 H new ATOM 520 N GLY A 40 11.036 -7.724 -3.587 1.00 1.00 N ATOM 521 CA GLY A 40 9.840 -8.624 -3.739 1.00 1.00 C ATOM 522 C GLY A 40 8.498 -7.938 -4.152 1.00 1.00 C ATOM 523 O GLY A 40 8.347 -7.449 -5.275 1.00 1.00 O ATOM 0 H GLY A 40 11.367 -7.291 -4.449 1.00 1.00 H new ATOM 0 HA2 GLY A 40 10.078 -9.384 -4.483 1.00 1.00 H new ATOM 0 HA3 GLY A 40 9.681 -9.142 -2.793 1.00 1.00 H new ATOM 527 N THR A 41 7.482 -8.019 -3.220 1.00 1.00 N ATOM 528 CA THR A 41 6.074 -7.495 -3.514 1.00 1.00 C ATOM 529 C THR A 41 5.250 -6.987 -2.156 1.00 1.00 C ATOM 530 O THR A 41 5.360 -7.588 -1.151 1.00 1.00 O ATOM 531 CB THR A 41 5.309 -8.716 -4.171 1.00 1.00 C ATOM 532 OG1 THR A 41 4.675 -8.289 -5.369 1.00 1.00 O ATOM 533 CG2 THR A 41 4.263 -9.301 -3.228 1.00 1.00 C ATOM 0 H THR A 41 7.594 -8.424 -2.291 1.00 1.00 H new ATOM 0 HA THR A 41 6.136 -6.617 -4.156 1.00 1.00 H new ATOM 0 HB THR A 41 6.042 -9.493 -4.386 1.00 1.00 H new ATOM 0 HG1 THR A 41 4.203 -9.045 -5.777 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.760 -10.136 -3.715 1.00 1.00 H new ATOM 0 HG22 THR A 41 4.749 -9.652 -2.318 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.531 -8.534 -2.976 1.00 1.00 H new ATOM 541 N SER A 42 4.407 -5.947 -2.266 1.00 1.00 N ATOM 542 CA SER A 42 3.544 -5.498 -1.056 1.00 1.00 C ATOM 543 C SER A 42 2.219 -5.885 -1.296 1.00 1.00 C ATOM 544 O SER A 42 1.416 -5.085 -1.764 1.00 1.00 O ATOM 545 CB SER A 42 3.602 -3.882 -0.763 1.00 1.00 C ATOM 546 OG SER A 42 4.359 -3.251 -1.751 1.00 1.00 O ATOM 0 H SER A 42 4.275 -5.397 -3.115 1.00 1.00 H new ATOM 0 HA SER A 42 3.952 -5.979 -0.167 1.00 1.00 H new ATOM 0 HB2 SER A 42 2.593 -3.470 -0.746 1.00 1.00 H new ATOM 0 HB3 SER A 42 4.039 -3.696 0.218 1.00 1.00 H new ATOM 0 HG SER A 42 3.934 -2.403 -1.997 1.00 1.00 H new ATOM 552 N ARG A 43 1.884 -7.136 -1.004 1.00 1.00 N ATOM 553 CA ARG A 43 0.549 -7.640 -1.211 1.00 1.00 C ATOM 554 C ARG A 43 -0.193 -7.002 -2.250 1.00 1.00 C ATOM 555 O ARG A 43 -1.106 -6.252 -1.974 1.00 1.00 O ATOM 556 CB ARG A 43 -0.244 -7.657 0.092 1.00 1.00 C ATOM 557 CG ARG A 43 -0.331 -6.155 0.835 1.00 1.00 C ATOM 558 CD ARG A 43 -1.766 -5.457 0.473 1.00 1.00 C ATOM 559 NE ARG A 43 -2.333 -4.836 1.677 1.00 1.00 N ATOM 560 CZ ARG A 43 -1.796 -3.755 2.218 1.00 1.00 C ATOM 561 NH1 ARG A 43 -0.765 -3.185 1.665 1.00 1.00 N ATOM 562 NH2 ARG A 43 -2.305 -3.260 3.307 1.00 1.00 N ATOM 0 H ARG A 43 2.534 -7.821 -0.619 1.00 1.00 H new ATOM 0 HA ARG A 43 0.697 -8.661 -1.562 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -1.254 -8.014 -0.110 1.00 1.00 H new ATOM 0 HB3 ARG A 43 0.214 -8.369 0.779 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -0.228 -6.264 1.915 1.00 1.00 H new ATOM 0 HG3 ARG A 43 0.490 -5.522 0.499 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -1.630 -4.706 -0.305 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -2.455 -6.204 0.078 1.00 1.00 H new ATOM 0 HE ARG A 43 -3.161 -5.248 2.107 1.00 1.00 H new ATOM 0 HH11 ARG A 43 -0.366 -3.572 0.809 1.00 1.00 H new ATOM 0 HH12 ARG A 43 -0.356 -2.352 2.087 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -3.114 -3.705 3.740 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -1.895 -2.427 3.729 1.00 1.00 H new ATOM 576 N LYS A 44 0.106 -7.405 -3.545 1.00 1.00 N ATOM 577 CA LYS A 44 -0.675 -6.923 -4.635 1.00 1.00 C ATOM 578 C LYS A 44 -1.991 -7.133 -4.259 1.00 1.00 C ATOM 579 O LYS A 44 -2.384 -8.235 -4.228 1.00 1.00 O ATOM 580 CB LYS A 44 -0.388 -7.689 -5.950 1.00 1.00 C ATOM 581 CG LYS A 44 -1.440 -7.226 -7.015 1.00 1.00 C ATOM 582 CD LYS A 44 -0.957 -7.532 -8.436 1.00 1.00 C ATOM 583 CE LYS A 44 -2.103 -7.245 -9.425 1.00 1.00 C ATOM 584 NZ LYS A 44 -1.688 -7.627 -10.805 1.00 1.00 N ATOM 0 H LYS A 44 0.863 -8.040 -3.799 1.00 1.00 H new ATOM 0 HA LYS A 44 -0.444 -5.876 -4.834 1.00 1.00 H new ATOM 0 HB2 LYS A 44 0.624 -7.483 -6.299 1.00 1.00 H new ATOM 0 HB3 LYS A 44 -0.457 -8.765 -5.788 1.00 1.00 H new ATOM 0 HG2 LYS A 44 -2.390 -7.728 -6.834 1.00 1.00 H new ATOM 0 HG3 LYS A 44 -1.620 -6.156 -6.911 1.00 1.00 H new ATOM 0 HD2 LYS A 44 -0.088 -6.921 -8.679 1.00 1.00 H new ATOM 0 HD3 LYS A 44 -0.645 -8.574 -8.512 1.00 1.00 H new ATOM 0 HE2 LYS A 44 -2.993 -7.803 -9.136 1.00 1.00 H new ATOM 0 HE3 LYS A 44 -2.366 -6.188 -9.394 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 -2.465 -7.431 -11.468 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 -0.850 -7.076 -11.081 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 -1.459 -8.641 -10.830 1.00 1.00 H new ATOM 598 N PRO A 45 -2.780 -6.074 -3.887 1.00 1.00 N ATOM 599 CA PRO A 45 -4.144 -6.289 -3.498 1.00 1.00 C ATOM 600 C PRO A 45 -4.775 -6.960 -4.641 1.00 1.00 C ATOM 601 O PRO A 45 -5.566 -6.395 -5.397 1.00 1.00 O ATOM 602 CB PRO A 45 -4.680 -4.900 -3.219 1.00 1.00 C ATOM 603 CG PRO A 45 -3.476 -4.096 -2.955 1.00 1.00 C ATOM 604 CD PRO A 45 -2.426 -4.665 -3.819 1.00 1.00 C ATOM 0 HA PRO A 45 -4.314 -6.909 -2.618 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -5.240 -4.511 -4.069 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -5.356 -4.898 -2.364 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -3.648 -3.045 -3.186 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -3.191 -4.149 -1.904 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -2.422 -4.203 -4.806 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -1.433 -4.519 -3.395 1.00 1.00 H new ATOM 612 N ASP A 46 -4.283 -8.157 -4.837 1.00 1.00 N ATOM 613 CA ASP A 46 -4.629 -8.944 -5.973 1.00 1.00 C ATOM 614 C ASP A 46 -6.040 -9.656 -5.803 1.00 1.00 C ATOM 615 O ASP A 46 -6.626 -9.619 -4.723 1.00 1.00 O ATOM 616 CB ASP A 46 -3.450 -10.065 -6.314 1.00 1.00 C ATOM 617 CG ASP A 46 -3.940 -11.496 -6.024 1.00 1.00 C ATOM 618 OD1 ASP A 46 -4.510 -11.704 -4.968 1.00 1.00 O ATOM 619 OD2 ASP A 46 -3.732 -12.352 -6.866 1.00 1.00 O ATOM 0 H ASP A 46 -3.626 -8.609 -4.201 1.00 1.00 H new ATOM 0 HA ASP A 46 -4.707 -8.257 -6.816 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -3.159 -9.983 -7.361 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -2.562 -9.855 -5.719 1.00 1.00 H new ATOM 624 N PRO A 47 -6.566 -10.333 -6.881 1.00 1.00 N ATOM 625 CA PRO A 47 -7.885 -11.071 -6.818 1.00 1.00 C ATOM 626 C PRO A 47 -7.812 -12.337 -5.903 1.00 1.00 C ATOM 627 O PRO A 47 -7.904 -13.474 -6.372 1.00 1.00 O ATOM 628 CB PRO A 47 -8.171 -11.462 -8.316 1.00 1.00 C ATOM 629 CG PRO A 47 -7.182 -10.665 -9.128 1.00 1.00 C ATOM 630 CD PRO A 47 -5.971 -10.440 -8.226 1.00 1.00 C ATOM 0 HA PRO A 47 -8.675 -10.460 -6.381 1.00 1.00 H new ATOM 0 HB2 PRO A 47 -8.040 -12.532 -8.476 1.00 1.00 H new ATOM 0 HB3 PRO A 47 -9.196 -11.221 -8.597 1.00 1.00 H new ATOM 0 HG2 PRO A 47 -6.899 -11.203 -10.033 1.00 1.00 H new ATOM 0 HG3 PRO A 47 -7.614 -9.715 -9.444 1.00 1.00 H new ATOM 0 HD2 PRO A 47 -5.264 -11.267 -8.288 1.00 1.00 H new ATOM 0 HD3 PRO A 47 -5.428 -9.535 -8.499 1.00 1.00 H new ATOM 638 N GLY A 48 -7.673 -12.104 -4.619 1.00 1.00 N ATOM 639 CA GLY A 48 -7.615 -13.178 -3.636 1.00 1.00 C ATOM 640 C GLY A 48 -8.129 -12.627 -2.357 1.00 1.00 C ATOM 641 O GLY A 48 -9.272 -12.883 -1.975 1.00 1.00 O ATOM 0 H GLY A 48 -7.596 -11.169 -4.220 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -8.216 -14.028 -3.958 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -6.593 -13.537 -3.518 1.00 1.00 H new ATOM 645 N PRO A 49 -7.344 -11.800 -1.709 1.00 1.00 N ATOM 646 CA PRO A 49 -7.773 -11.143 -0.515 1.00 1.00 C ATOM 647 C PRO A 49 -9.022 -10.336 -0.791 1.00 1.00 C ATOM 648 O PRO A 49 -10.129 -10.755 -0.439 1.00 1.00 O ATOM 649 CB PRO A 49 -6.568 -10.212 -0.095 1.00 1.00 C ATOM 650 CG PRO A 49 -5.584 -10.248 -1.229 1.00 1.00 C ATOM 651 CD PRO A 49 -5.961 -11.445 -2.095 1.00 1.00 C ATOM 0 HA PRO A 49 -8.024 -11.844 0.281 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -6.911 -9.194 0.089 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -6.109 -10.565 0.828 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -5.624 -9.324 -1.806 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -4.565 -10.346 -0.855 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -5.902 -11.195 -3.154 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -5.281 -12.280 -1.926 1.00 1.00 H new ATOM 659 N LYS A 50 -8.833 -9.152 -1.399 1.00 1.00 N ATOM 660 CA LYS A 50 -9.931 -8.213 -1.706 1.00 1.00 C ATOM 661 C LYS A 50 -10.477 -7.611 -0.426 1.00 1.00 C ATOM 662 O LYS A 50 -11.697 -7.574 -0.239 1.00 1.00 O ATOM 663 CB LYS A 50 -11.127 -9.047 -2.473 1.00 1.00 C ATOM 664 CG LYS A 50 -11.254 -8.558 -4.041 1.00 1.00 C ATOM 665 CD LYS A 50 -12.110 -7.175 -4.165 1.00 1.00 C ATOM 666 CE LYS A 50 -11.384 -5.971 -3.427 1.00 1.00 C ATOM 667 NZ LYS A 50 -9.981 -5.833 -3.941 1.00 1.00 N ATOM 0 H LYS A 50 -7.915 -8.817 -1.692 1.00 1.00 H new ATOM 0 HA LYS A 50 -9.561 -7.408 -2.340 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -10.916 -10.116 -2.435 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -12.075 -8.891 -1.959 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -10.258 -8.410 -4.460 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -11.735 -9.339 -4.630 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -12.250 -6.926 -5.217 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -13.102 -7.320 -3.737 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -11.935 -5.045 -3.593 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -11.372 -6.146 -2.351 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -9.482 -5.100 -3.397 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -9.483 -6.740 -3.838 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -10.004 -5.563 -4.945 1.00 1.00 H new ATOM 681 N GLY A 51 -9.614 -7.191 0.536 1.00 1.00 N ATOM 682 CA GLY A 51 -10.062 -6.752 1.678 1.00 1.00 C ATOM 683 C GLY A 51 -9.080 -7.139 2.609 1.00 1.00 C ATOM 684 O GLY A 51 -8.379 -6.359 3.019 1.00 1.00 O ATOM 0 H GLY A 51 -8.598 -7.188 0.441 1.00 1.00 H new ATOM 0 HA2 GLY A 51 -10.193 -5.670 1.665 1.00 1.00 H new ATOM 0 HA3 GLY A 51 -11.032 -7.187 1.919 1.00 1.00 H new ATOM 688 N PRO A 52 -8.994 -8.443 2.934 1.00 1.00 N ATOM 689 CA PRO A 52 -7.957 -9.003 3.871 1.00 1.00 C ATOM 690 C PRO A 52 -6.538 -8.367 3.679 1.00 1.00 C ATOM 691 O PRO A 52 -5.561 -9.001 3.852 1.00 1.00 O ATOM 692 CB PRO A 52 -7.915 -10.478 3.516 1.00 1.00 C ATOM 693 CG PRO A 52 -9.290 -10.810 3.000 1.00 1.00 C ATOM 694 CD PRO A 52 -9.894 -9.488 2.453 1.00 1.00 C ATOM 0 HA PRO A 52 -8.216 -8.797 4.909 1.00 1.00 H new ATOM 0 HB2 PRO A 52 -7.154 -10.678 2.761 1.00 1.00 H new ATOM 0 HB3 PRO A 52 -7.667 -11.084 4.387 1.00 1.00 H new ATOM 0 HG2 PRO A 52 -9.237 -11.565 2.215 1.00 1.00 H new ATOM 0 HG3 PRO A 52 -9.913 -11.220 3.795 1.00 1.00 H new ATOM 0 HD2 PRO A 52 -9.945 -9.497 1.364 1.00 1.00 H new ATOM 0 HD3 PRO A 52 -10.909 -9.335 2.819 1.00 1.00 H new ATOM 702 N THR A 53 -6.520 -7.145 3.380 1.00 1.00 N ATOM 703 CA THR A 53 -5.314 -6.361 3.219 1.00 1.00 C ATOM 704 C THR A 53 -5.764 -4.965 3.475 1.00 1.00 C ATOM 705 O THR A 53 -6.933 -4.695 3.340 1.00 1.00 O ATOM 706 CB THR A 53 -4.641 -6.522 1.856 1.00 1.00 C ATOM 707 OG1 THR A 53 -4.637 -5.280 1.168 1.00 1.00 O ATOM 708 CG2 THR A 53 -5.352 -7.551 1.031 1.00 1.00 C ATOM 0 H THR A 53 -7.372 -6.605 3.226 1.00 1.00 H new ATOM 0 HA THR A 53 -4.532 -6.688 3.904 1.00 1.00 H new ATOM 0 HB THR A 53 -3.615 -6.852 2.017 1.00 1.00 H new ATOM 0 HG1 THR A 53 -4.445 -5.432 0.219 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.856 -7.649 0.065 1.00 1.00 H new ATOM 0 HG22 THR A 53 -5.331 -8.510 1.549 1.00 1.00 H new ATOM 0 HG23 THR A 53 -6.386 -7.243 0.878 1.00 1.00 H new ATOM 716 N TYR A 54 -4.954 -4.127 3.866 1.00 1.00 N ATOM 717 CA TYR A 54 -5.441 -2.733 4.229 1.00 1.00 C ATOM 718 C TYR A 54 -4.443 -1.967 5.073 1.00 1.00 C ATOM 719 O TYR A 54 -3.955 -2.489 6.071 1.00 1.00 O ATOM 720 CB TYR A 54 -6.793 -2.899 5.103 1.00 1.00 C ATOM 721 CG TYR A 54 -6.871 -1.878 6.344 1.00 1.00 C ATOM 722 CD1 TYR A 54 -6.164 -2.149 7.534 1.00 1.00 C ATOM 723 CD2 TYR A 54 -7.655 -0.708 6.263 1.00 1.00 C ATOM 724 CE1 TYR A 54 -6.243 -1.260 8.614 1.00 1.00 C ATOM 725 CE2 TYR A 54 -7.723 0.171 7.349 1.00 1.00 C ATOM 726 CZ TYR A 54 -7.023 -0.101 8.516 1.00 1.00 C ATOM 727 OH TYR A 54 -7.102 0.769 9.582 1.00 1.00 O ATOM 0 H TYR A 54 -3.952 -4.284 3.973 1.00 1.00 H new ATOM 0 HA TYR A 54 -5.596 -2.179 3.303 1.00 1.00 H new ATOM 0 HB2 TYR A 54 -7.657 -2.744 4.457 1.00 1.00 H new ATOM 0 HB3 TYR A 54 -6.854 -3.921 5.477 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -5.562 -3.042 7.613 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -8.205 -0.490 5.359 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -5.701 -1.469 9.524 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -8.323 1.066 7.279 1.00 1.00 H new ATOM 0 HH TYR A 54 -7.683 1.522 9.347 1.00 1.00 H new ATOM 737 N CYS A 55 -4.138 -0.592 4.675 1.00 1.00 N ATOM 738 CA CYS A 55 -3.154 0.243 5.579 1.00 1.00 C ATOM 739 C CYS A 55 -3.568 1.711 5.938 1.00 1.00 C ATOM 740 O CYS A 55 -3.351 2.214 7.039 1.00 1.00 O ATOM 741 CB CYS A 55 -1.782 0.297 4.960 1.00 1.00 C ATOM 742 SG CYS A 55 -0.569 0.455 6.345 1.00 1.00 S ATOM 0 H CYS A 55 -4.508 -0.113 3.854 1.00 1.00 H new ATOM 0 HA CYS A 55 -3.182 -0.308 6.519 1.00 1.00 H new ATOM 0 HB2 CYS A 55 -1.586 -0.603 4.377 1.00 1.00 H new ATOM 0 HB3 CYS A 55 -1.700 1.143 4.277 1.00 1.00 H new ATOM 747 N TRP A 56 -4.156 2.321 4.933 1.00 1.00 N ATOM 748 CA TRP A 56 -4.627 3.616 4.927 1.00 1.00 C ATOM 749 C TRP A 56 -6.176 3.645 4.999 1.00 1.00 C ATOM 750 O TRP A 56 -6.766 2.984 5.856 1.00 1.00 O ATOM 751 CB TRP A 56 -4.195 4.236 3.585 1.00 1.00 C ATOM 752 CG TRP A 56 -4.507 5.706 3.590 1.00 1.00 C ATOM 753 CD1 TRP A 56 -4.983 6.334 2.556 1.00 1.00 C ATOM 754 CD2 TRP A 56 -4.374 6.730 4.688 1.00 1.00 C ATOM 755 NE1 TRP A 56 -5.145 7.621 2.846 1.00 1.00 N ATOM 756 CE2 TRP A 56 -4.800 7.923 4.183 1.00 1.00 C ATOM 757 CE3 TRP A 56 -3.920 6.713 6.068 1.00 1.00 C ATOM 758 CZ2 TRP A 56 -4.815 9.109 4.962 1.00 1.00 C ATOM 759 CZ3 TRP A 56 -3.934 7.888 6.833 1.00 1.00 C ATOM 760 CH2 TRP A 56 -4.383 9.078 6.280 1.00 1.00 C ATOM 0 H TRP A 56 -4.312 1.851 4.041 1.00 1.00 H new ATOM 0 HA TRP A 56 -4.233 4.159 5.786 1.00 1.00 H new ATOM 0 HB2 TRP A 56 -3.128 4.080 3.427 1.00 1.00 H new ATOM 0 HB3 TRP A 56 -4.714 3.746 2.762 1.00 1.00 H new ATOM 0 HD1 TRP A 56 -5.212 5.878 1.604 1.00 1.00 H new ATOM 0 HE1 TRP A 56 -5.481 8.314 2.177 1.00 1.00 H new ATOM 0 HE3 TRP A 56 -3.570 5.790 6.507 1.00 1.00 H new ATOM 0 HZ2 TRP A 56 -5.163 10.035 4.529 1.00 1.00 H new ATOM 0 HZ3 TRP A 56 -3.594 7.866 7.858 1.00 1.00 H new ATOM 0 HH2 TRP A 56 -4.396 9.979 6.875 1.00 1.00 H new ATOM 771 N ASP A 57 -6.877 4.369 3.921 1.00 1.00 N ATOM 772 CA ASP A 57 -8.284 4.370 3.785 1.00 1.00 C ATOM 773 C ASP A 57 -8.813 5.635 3.010 1.00 1.00 C ATOM 774 O ASP A 57 -10.005 5.900 3.073 1.00 1.00 O ATOM 775 CB ASP A 57 -8.937 4.310 5.132 1.00 1.00 C ATOM 776 CG ASP A 57 -9.351 2.864 5.496 1.00 1.00 C ATOM 777 OD1 ASP A 57 -8.845 1.947 4.868 1.00 1.00 O ATOM 778 OD2 ASP A 57 -10.162 2.708 6.393 1.00 1.00 O ATOM 0 H ASP A 57 -6.394 4.914 3.207 1.00 1.00 H new ATOM 0 HA ASP A 57 -8.543 3.486 3.202 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -8.252 4.695 5.887 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -9.816 4.955 5.141 1.00 1.00 H new ATOM 783 N GLU A 58 -7.938 6.426 2.329 1.00 1.00 N ATOM 784 CA GLU A 58 -8.412 7.594 1.707 1.00 1.00 C ATOM 785 C GLU A 58 -7.344 8.350 1.148 1.00 1.00 C ATOM 786 O GLU A 58 -7.014 9.356 1.725 1.00 1.00 O ATOM 787 CB GLU A 58 -9.042 8.482 2.851 1.00 1.00 C ATOM 788 CG GLU A 58 -8.014 8.520 4.012 1.00 1.00 C ATOM 789 CD GLU A 58 -8.608 9.215 5.234 1.00 1.00 C ATOM 790 OE1 GLU A 58 -8.887 10.396 5.141 1.00 1.00 O ATOM 791 OE2 GLU A 58 -8.771 8.553 6.247 1.00 1.00 O ATOM 0 H GLU A 58 -6.940 6.245 2.224 1.00 1.00 H new ATOM 0 HA GLU A 58 -9.114 7.326 0.918 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -9.251 9.488 2.488 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -9.989 8.062 3.188 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -7.715 7.505 4.274 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -7.114 9.044 3.691 1.00 1.00 H new ATOM 798 N ALA A 59 -6.712 8.037 -0.012 1.00 1.00 N ATOM 799 CA ALA A 59 -5.689 8.976 -0.479 1.00 1.00 C ATOM 800 C ALA A 59 -5.891 9.232 -2.028 1.00 1.00 C ATOM 801 O ALA A 59 -4.969 9.522 -2.687 1.00 1.00 O ATOM 802 CB ALA A 59 -4.455 8.337 -0.335 1.00 1.00 C ATOM 0 H ALA A 59 -6.878 7.214 -0.591 1.00 1.00 H new ATOM 0 HA ALA A 59 -5.746 9.912 0.077 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -3.660 9.002 -0.672 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -4.297 8.084 0.713 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -4.445 7.426 -0.934 1.00 1.00 H new ATOM 808 N LYS A 60 -7.119 8.843 -2.609 1.00 1.00 N ATOM 809 CA LYS A 60 -7.238 8.790 -3.980 1.00 1.00 C ATOM 810 C LYS A 60 -7.076 10.019 -4.628 1.00 1.00 C ATOM 811 O LYS A 60 -6.390 10.174 -5.584 1.00 1.00 O ATOM 812 CB LYS A 60 -8.686 8.203 -4.382 1.00 1.00 C ATOM 813 CG LYS A 60 -9.127 7.234 -3.284 1.00 1.00 C ATOM 814 CD LYS A 60 -10.325 6.309 -3.761 1.00 1.00 C ATOM 815 CE LYS A 60 -11.687 6.986 -3.410 1.00 1.00 C ATOM 816 NZ LYS A 60 -11.823 7.080 -1.926 1.00 1.00 N ATOM 0 H LYS A 60 -7.958 8.588 -2.088 1.00 1.00 H new ATOM 0 HA LYS A 60 -6.425 8.143 -4.311 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -9.409 9.012 -4.488 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.636 7.692 -5.343 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.283 6.611 -2.988 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -9.432 7.798 -2.402 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -10.259 6.138 -4.836 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -10.258 5.334 -3.279 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -11.738 7.980 -3.855 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -12.512 6.408 -3.826 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -12.829 7.033 -1.666 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -11.313 6.291 -1.480 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -11.422 7.981 -1.597 1.00 1.00 H new ATOM 872 N PRO A 65 -7.422 13.860 -0.137 1.00 1.00 N ATOM 873 CA PRO A 65 -7.087 12.766 0.755 1.00 1.00 C ATOM 874 C PRO A 65 -5.634 12.603 0.815 1.00 1.00 C ATOM 875 O PRO A 65 -4.928 13.414 0.333 1.00 1.00 O ATOM 876 CB PRO A 65 -7.836 11.508 0.146 1.00 1.00 C ATOM 877 CG PRO A 65 -8.860 12.119 -0.657 1.00 1.00 C ATOM 878 CD PRO A 65 -8.190 13.405 -1.203 1.00 1.00 C ATOM 0 HA PRO A 65 -7.399 12.928 1.787 1.00 1.00 H new ATOM 0 HB2 PRO A 65 -7.168 10.887 -0.451 1.00 1.00 H new ATOM 0 HB3 PRO A 65 -8.256 10.869 0.923 1.00 1.00 H new ATOM 0 HG2 PRO A 65 -9.179 11.461 -1.465 1.00 1.00 H new ATOM 0 HG3 PRO A 65 -9.746 12.351 -0.066 1.00 1.00 H new ATOM 0 HD2 PRO A 65 -7.575 13.194 -2.078 1.00 1.00 H new ATOM 0 HD3 PRO A 65 -8.932 14.144 -1.506 1.00 1.00 H new ATOM 886 N ASN A 66 -5.196 11.668 1.510 1.00 1.00 N ATOM 887 CA ASN A 66 -3.672 11.534 1.720 1.00 1.00 C ATOM 888 C ASN A 66 -2.924 11.749 0.408 1.00 1.00 C ATOM 889 O ASN A 66 -1.723 11.991 0.383 1.00 1.00 O ATOM 890 CB ASN A 66 -3.267 10.136 2.302 1.00 1.00 C ATOM 891 CG ASN A 66 -2.359 10.295 3.572 1.00 1.00 C ATOM 892 OD1 ASN A 66 -2.300 9.399 4.413 1.00 1.00 O ATOM 893 ND2 ASN A 66 -1.645 11.387 3.726 1.00 1.00 N ATOM 0 H ASN A 66 -5.768 10.959 1.969 1.00 1.00 H new ATOM 0 HA ASN A 66 -3.397 12.302 2.443 1.00 1.00 H new ATOM 0 HB2 ASN A 66 -4.164 9.572 2.560 1.00 1.00 H new ATOM 0 HB3 ASN A 66 -2.737 9.562 1.542 1.00 1.00 H new ATOM 0 HD21 ASN A 66 -1.042 11.491 4.542 1.00 1.00 H new ATOM 0 HD22 ASN A 66 -1.693 12.130 3.029 1.00 1.00 H new ATOM 900 N ARG A 67 -3.710 11.630 -0.656 1.00 1.00 N ATOM 901 CA ARG A 67 -3.286 11.782 -2.050 1.00 1.00 C ATOM 902 C ARG A 67 -2.501 10.590 -2.538 1.00 1.00 C ATOM 903 O ARG A 67 -1.469 10.255 -2.021 1.00 1.00 O ATOM 904 CB ARG A 67 -2.480 13.064 -2.234 1.00 1.00 C ATOM 905 CG ARG A 67 -3.417 14.252 -2.214 1.00 1.00 C ATOM 906 CD ARG A 67 -3.867 14.566 -3.617 1.00 1.00 C ATOM 907 NE ARG A 67 -2.845 15.416 -4.344 1.00 1.00 N ATOM 908 CZ ARG A 67 -2.358 16.606 -3.843 1.00 1.00 C ATOM 909 NH1 ARG A 67 -2.851 17.134 -2.750 1.00 1.00 N ATOM 910 NH2 ARG A 67 -1.424 17.240 -4.489 1.00 1.00 N ATOM 0 H ARG A 67 -4.704 11.416 -0.571 1.00 1.00 H new ATOM 0 HA ARG A 67 -4.191 11.846 -2.655 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -1.739 13.158 -1.441 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -1.935 13.032 -3.177 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -4.280 14.036 -1.584 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -2.915 15.117 -1.781 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -4.029 13.638 -4.166 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -4.823 15.089 -3.586 1.00 1.00 H new ATOM 0 HE ARG A 67 -2.500 15.093 -5.248 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -3.608 16.665 -2.254 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -2.477 18.014 -2.396 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -1.056 16.857 -5.360 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -1.059 18.120 -4.125 1.00 1.00 H new ATOM 924 N CYS A 68 -2.996 10.047 -3.595 1.00 1.00 N ATOM 925 CA CYS A 68 -2.408 8.972 -4.293 1.00 1.00 C ATOM 926 C CYS A 68 -3.005 8.997 -5.536 1.00 1.00 C ATOM 927 O CYS A 68 -2.580 9.774 -6.391 1.00 1.00 O ATOM 928 CB CYS A 68 -2.501 7.555 -3.487 1.00 1.00 C ATOM 929 SG CYS A 68 -4.136 6.764 -3.348 1.00 1.00 S ATOM 0 H CYS A 68 -3.871 10.363 -4.014 1.00 1.00 H new ATOM 0 HA CYS A 68 -1.328 9.076 -4.397 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -1.827 6.849 -3.972 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -2.120 7.717 -2.479 1.00 1.00 H new ATOM 934 N SER A 69 -3.941 8.244 -5.709 1.00 1.00 N ATOM 935 CA SER A 69 -4.671 8.189 -6.917 1.00 1.00 C ATOM 936 C SER A 69 -4.106 7.193 -7.883 1.00 1.00 C ATOM 937 O SER A 69 -4.814 6.685 -8.756 1.00 1.00 O ATOM 938 CB SER A 69 -4.724 9.588 -7.669 1.00 1.00 C ATOM 939 OG SER A 69 -3.625 9.666 -8.588 1.00 1.00 O ATOM 0 H SER A 69 -4.274 7.593 -4.998 1.00 1.00 H new ATOM 0 HA SER A 69 -5.674 7.892 -6.611 1.00 1.00 H new ATOM 0 HB2 SER A 69 -5.669 9.693 -8.202 1.00 1.00 H new ATOM 0 HB3 SER A 69 -4.671 10.405 -6.949 1.00 1.00 H new ATOM 0 HG SER A 69 -2.785 9.740 -8.088 1.00 1.00 H new ATOM 945 N ASN A 70 -2.756 7.016 -7.829 1.00 1.00 N ATOM 946 CA ASN A 70 -2.053 6.188 -8.836 1.00 1.00 C ATOM 947 C ASN A 70 -1.480 5.023 -8.288 1.00 1.00 C ATOM 948 O ASN A 70 -1.471 3.991 -8.925 1.00 1.00 O ATOM 949 CB ASN A 70 -0.931 7.034 -9.461 1.00 1.00 C ATOM 950 CG ASN A 70 -1.490 8.369 -9.950 1.00 1.00 C ATOM 951 OD1 ASN A 70 -1.062 9.426 -9.489 1.00 1.00 O ATOM 952 ND2 ASN A 70 -2.424 8.383 -10.857 1.00 1.00 N ATOM 0 H ASN A 70 -2.151 7.426 -7.117 1.00 1.00 H new ATOM 0 HA ASN A 70 -2.790 5.873 -9.574 1.00 1.00 H new ATOM 0 HB2 ASN A 70 -0.144 7.207 -8.727 1.00 1.00 H new ATOM 0 HB3 ASN A 70 -0.478 6.494 -10.293 1.00 1.00 H new ATOM 0 HD21 ASN A 70 -2.802 9.271 -11.186 1.00 1.00 H new ATOM 0 HD22 ASN A 70 -2.778 7.506 -11.238 1.00 1.00 H new ATOM 959 N SER A 71 -1.002 5.152 -7.084 1.00 1.00 N ATOM 960 CA SER A 71 -0.372 3.987 -6.347 1.00 1.00 C ATOM 961 C SER A 71 0.708 4.402 -5.192 1.00 1.00 C ATOM 962 O SER A 71 1.775 3.789 -5.117 1.00 1.00 O ATOM 963 CB SER A 71 0.322 3.057 -7.368 1.00 1.00 C ATOM 964 OG SER A 71 1.365 2.312 -6.747 1.00 1.00 O ATOM 0 H SER A 71 -1.015 6.026 -6.558 1.00 1.00 H new ATOM 0 HA SER A 71 -1.191 3.490 -5.827 1.00 1.00 H new ATOM 0 HB2 SER A 71 -0.410 2.375 -7.801 1.00 1.00 H new ATOM 0 HB3 SER A 71 0.730 3.649 -8.187 1.00 1.00 H new ATOM 0 HG SER A 71 2.065 2.924 -6.437 1.00 1.00 H new ATOM 970 N LYS A 72 0.509 5.506 -4.433 1.00 1.00 N ATOM 971 CA LYS A 72 1.617 5.964 -3.480 1.00 1.00 C ATOM 972 C LYS A 72 1.215 6.422 -2.208 1.00 1.00 C ATOM 973 O LYS A 72 1.850 7.290 -1.626 1.00 1.00 O ATOM 974 CB LYS A 72 2.316 7.248 -4.199 1.00 1.00 C ATOM 975 CG LYS A 72 1.287 8.400 -4.432 1.00 1.00 C ATOM 976 CD LYS A 72 1.939 9.768 -4.110 1.00 1.00 C ATOM 977 CE LYS A 72 0.943 10.892 -4.379 1.00 1.00 C ATOM 978 NZ LYS A 72 1.583 12.207 -4.093 1.00 1.00 N ATOM 0 H LYS A 72 -0.335 6.079 -4.436 1.00 1.00 H new ATOM 0 HA LYS A 72 2.241 5.087 -3.306 1.00 1.00 H new ATOM 0 HB2 LYS A 72 3.137 7.611 -3.581 1.00 1.00 H new ATOM 0 HB3 LYS A 72 2.746 6.943 -5.153 1.00 1.00 H new ATOM 0 HG2 LYS A 72 0.942 8.387 -5.466 1.00 1.00 H new ATOM 0 HG3 LYS A 72 0.411 8.249 -3.802 1.00 1.00 H new ATOM 0 HD2 LYS A 72 2.257 9.793 -3.068 1.00 1.00 H new ATOM 0 HD3 LYS A 72 2.832 9.908 -4.719 1.00 1.00 H new ATOM 0 HE2 LYS A 72 0.610 10.856 -5.416 1.00 1.00 H new ATOM 0 HE3 LYS A 72 0.058 10.764 -3.756 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 0.909 12.819 -3.591 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 2.426 12.062 -3.501 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 1.862 12.659 -4.987 1.00 1.00 H new ATOM 992 N GLN A 73 0.225 6.001 -1.828 1.00 1.00 N ATOM 993 CA GLN A 73 -0.376 6.467 -0.599 1.00 1.00 C ATOM 994 C GLN A 73 -1.798 5.989 -0.568 1.00 1.00 C ATOM 995 O GLN A 73 -2.595 6.695 -0.217 1.00 1.00 O ATOM 996 CB GLN A 73 -0.429 8.165 -0.627 1.00 1.00 C ATOM 997 CG GLN A 73 0.432 8.801 0.434 1.00 1.00 C ATOM 998 CD GLN A 73 -0.169 8.574 1.814 1.00 1.00 C ATOM 999 OE1 GLN A 73 -0.979 7.660 2.000 1.00 1.00 O ATOM 1000 NE2 GLN A 73 0.174 9.363 2.802 1.00 1.00 N ATOM 0 H GLN A 73 -0.309 5.278 -2.310 1.00 1.00 H new ATOM 0 HA GLN A 73 0.193 6.105 0.257 1.00 1.00 H new ATOM 0 HB2 GLN A 73 -0.106 8.516 -1.607 1.00 1.00 H new ATOM 0 HB3 GLN A 73 -1.460 8.493 -0.494 1.00 1.00 H new ATOM 0 HG2 GLN A 73 1.437 8.381 0.395 1.00 1.00 H new ATOM 0 HG3 GLN A 73 0.525 9.870 0.243 1.00 1.00 H new ATOM 0 HE21 GLN A 73 0.843 10.116 2.644 1.00 1.00 H new ATOM 0 HE22 GLN A 73 -0.228 9.224 3.729 1.00 1.00 H new ATOM 1009 N CYS A 74 -2.090 4.735 -0.871 1.00 1.00 N ATOM 1010 CA CYS A 74 -3.603 4.260 -0.770 1.00 1.00 C ATOM 1011 C CYS A 74 -3.666 3.297 0.382 1.00 1.00 C ATOM 1012 O CYS A 74 -2.964 3.568 1.314 1.00 1.00 O ATOM 1013 CB CYS A 74 -4.013 3.713 -2.185 1.00 1.00 C ATOM 1014 SG CYS A 74 -3.527 4.863 -3.571 1.00 1.00 S ATOM 0 H CYS A 74 -1.420 4.026 -1.171 1.00 1.00 H new ATOM 0 HA CYS A 74 -4.334 5.037 -0.548 1.00 1.00 H new ATOM 0 HB2 CYS A 74 -3.545 2.741 -2.344 1.00 1.00 H new ATOM 0 HB3 CYS A 74 -5.091 3.555 -2.210 1.00 1.00 H new ATOM 1019 N ASP A 75 -4.535 2.115 0.425 1.00 1.00 N ATOM 1020 CA ASP A 75 -4.514 1.266 1.761 1.00 1.00 C ATOM 1021 C ASP A 75 -4.040 -0.137 1.530 1.00 1.00 C ATOM 1022 O ASP A 75 -2.854 -0.445 1.645 1.00 1.00 O ATOM 1023 CB ASP A 75 -5.995 1.400 2.338 1.00 1.00 C ATOM 1024 CG ASP A 75 -6.419 0.240 3.058 1.00 1.00 C ATOM 1025 OD1 ASP A 75 -6.926 -0.652 2.421 1.00 1.00 O ATOM 1026 OD2 ASP A 75 -6.280 0.236 4.258 1.00 1.00 O ATOM 0 H ASP A 75 -5.150 1.786 -0.319 1.00 1.00 H new ATOM 0 HA ASP A 75 -3.794 1.630 2.494 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -6.046 2.268 2.995 1.00 1.00 H new ATOM 0 HB3 ASP A 75 -6.685 1.583 1.514 1.00 1.00 H new ATOM 1031 N GLY A 76 -4.918 -0.919 1.196 1.00 1.00 N ATOM 1032 CA GLY A 76 -4.673 -2.307 0.893 1.00 1.00 C ATOM 1033 C GLY A 76 -5.647 -2.705 -0.120 1.00 1.00 C ATOM 1034 O GLY A 76 -5.861 -1.988 -0.981 1.00 1.00 O ATOM 0 H GLY A 76 -5.897 -0.649 1.105 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -3.656 -2.447 0.526 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -4.776 -2.920 1.788 1.00 1.00 H new ATOM 1038 N ALA A 77 -6.228 -3.909 0.036 1.00 1.00 N ATOM 1039 CA ALA A 77 -7.269 -4.507 -0.890 1.00 1.00 C ATOM 1040 C ALA A 77 -7.814 -3.565 -1.954 1.00 1.00 C ATOM 1041 O ALA A 77 -8.995 -3.664 -2.304 1.00 1.00 O ATOM 1042 CB ALA A 77 -8.380 -4.900 -0.055 1.00 1.00 C ATOM 0 H ALA A 77 -5.998 -4.523 0.817 1.00 1.00 H new ATOM 0 HA ALA A 77 -6.785 -5.322 -1.428 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -9.163 -5.339 -0.674 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -8.043 -5.633 0.678 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -8.774 -4.025 0.462 1.00 1.00 H new ATOM 1048 N ARG A 78 -7.014 -2.611 -2.421 1.00 1.00 N ATOM 1049 CA ARG A 78 -7.443 -1.653 -3.329 1.00 1.00 C ATOM 1050 C ARG A 78 -6.617 -1.726 -4.503 1.00 1.00 C ATOM 1051 O ARG A 78 -5.578 -2.343 -4.465 1.00 1.00 O ATOM 1052 CB ARG A 78 -7.332 -0.363 -2.698 1.00 1.00 C ATOM 1053 CG ARG A 78 -8.272 -0.333 -1.454 1.00 1.00 C ATOM 1054 CD ARG A 78 -8.440 1.080 -1.024 1.00 1.00 C ATOM 1055 NE ARG A 78 -9.353 1.785 -1.911 1.00 1.00 N ATOM 1056 CZ ARG A 78 -10.656 1.528 -1.899 1.00 1.00 C ATOM 1057 NH1 ARG A 78 -11.131 0.604 -1.116 1.00 1.00 N ATOM 1058 NH2 ARG A 78 -11.460 2.199 -2.672 1.00 1.00 N ATOM 0 H ARG A 78 -6.036 -2.514 -2.149 1.00 1.00 H new ATOM 0 HA ARG A 78 -8.478 -1.820 -3.626 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -6.301 -0.177 -2.397 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -7.607 0.425 -3.399 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -9.239 -0.772 -1.699 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -7.848 -0.927 -0.645 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -8.821 1.111 -0.003 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -7.472 1.581 -1.019 1.00 1.00 H new ATOM 0 HE ARG A 78 -8.986 2.488 -2.553 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -10.503 0.076 -0.510 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -12.132 0.408 -1.108 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -11.090 2.923 -3.288 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -12.461 2.001 -2.662 1.00 1.00 H new ATOM 1072 N THR A 79 -7.022 -1.098 -5.602 1.00 1.00 N ATOM 1073 CA THR A 79 -6.242 -1.162 -6.740 1.00 1.00 C ATOM 1074 C THR A 79 -6.291 0.036 -7.462 1.00 1.00 C ATOM 1075 O THR A 79 -6.838 0.080 -8.468 1.00 1.00 O ATOM 1076 CB THR A 79 -6.589 -2.357 -7.578 1.00 1.00 C ATOM 1077 OG1 THR A 79 -6.875 -3.467 -6.732 1.00 1.00 O ATOM 1078 CG2 THR A 79 -5.376 -2.667 -8.439 1.00 1.00 C ATOM 0 H THR A 79 -7.882 -0.556 -5.687 1.00 1.00 H new ATOM 0 HA THR A 79 -5.206 -1.294 -6.428 1.00 1.00 H new ATOM 0 HB THR A 79 -7.464 -2.160 -8.197 1.00 1.00 H new ATOM 0 HG1 THR A 79 -7.103 -4.246 -7.281 1.00 1.00 H new ATOM 0 HG21 THR A 79 -5.587 -3.533 -9.066 1.00 1.00 H new ATOM 0 HG22 THR A 79 -5.149 -1.808 -9.071 1.00 1.00 H new ATOM 0 HG23 THR A 79 -4.521 -2.883 -7.799 1.00 1.00 H new ATOM 1086 N CYS A 80 -5.539 1.059 -6.901 1.00 1.00 N ATOM 1087 CA CYS A 80 -5.325 2.331 -7.513 1.00 1.00 C ATOM 1088 C CYS A 80 -5.855 2.537 -8.818 1.00 1.00 C ATOM 1089 O CYS A 80 -5.216 3.140 -9.687 1.00 1.00 O ATOM 1090 CB CYS A 80 -3.810 2.648 -7.473 1.00 1.00 C ATOM 1091 SG CYS A 80 -3.549 4.283 -6.374 1.00 1.00 S ATOM 0 H CYS A 80 -5.079 0.968 -5.995 1.00 1.00 H new ATOM 0 HA CYS A 80 -5.913 3.029 -6.917 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -3.257 1.811 -7.047 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -3.427 2.802 -8.482 1.00 1.00 H new ATOM 1136 N PHE A 85 -3.462 0.159 -5.237 1.00 1.00 N ATOM 1137 CA PHE A 85 -3.442 0.999 -4.233 1.00 1.00 C ATOM 1138 C PHE A 85 -4.823 1.631 -4.183 1.00 1.00 C ATOM 1139 O PHE A 85 -5.515 1.279 -3.401 1.00 1.00 O ATOM 1140 CB PHE A 85 -2.250 1.894 -4.365 1.00 1.00 C ATOM 1141 CG PHE A 85 -1.146 1.666 -3.210 1.00 1.00 C ATOM 1142 CD1 PHE A 85 -1.472 1.313 -1.827 1.00 1.00 C ATOM 1143 CD2 PHE A 85 0.154 1.844 -3.554 1.00 1.00 C ATOM 1144 CE1 PHE A 85 -0.441 1.168 -0.893 1.00 1.00 C ATOM 1145 CE2 PHE A 85 1.182 1.702 -2.596 1.00 1.00 C ATOM 1146 CZ PHE A 85 0.875 1.367 -1.274 1.00 1.00 C ATOM 0 HA PHE A 85 -3.290 0.554 -3.250 1.00 1.00 H new ATOM 0 HB2 PHE A 85 -1.787 1.729 -5.338 1.00 1.00 H new ATOM 0 HB3 PHE A 85 -2.580 2.932 -4.342 1.00 1.00 H new ATOM 0 HD1 PHE A 85 -2.500 1.166 -1.530 1.00 1.00 H new ATOM 0 HD2 PHE A 85 0.406 2.097 -4.573 1.00 1.00 H new ATOM 0 HE1 PHE A 85 -0.672 0.900 0.127 1.00 1.00 H new ATOM 0 HE2 PHE A 85 2.211 1.853 -2.886 1.00 1.00 H new ATOM 0 HZ PHE A 85 1.667 1.263 -0.547 1.00 1.00 H new ATOM 1156 N CYS A 86 -5.179 2.623 -4.957 1.00 1.00 N ATOM 1157 CA CYS A 86 -6.650 3.268 -4.764 1.00 1.00 C ATOM 1158 C CYS A 86 -7.740 3.090 -5.815 1.00 1.00 C ATOM 1159 O CYS A 86 -7.707 3.618 -6.926 1.00 1.00 O ATOM 1160 CB CYS A 86 -6.528 4.660 -4.512 1.00 1.00 C ATOM 1161 SG CYS A 86 -5.483 5.382 -6.038 1.00 1.00 S ATOM 0 H CYS A 86 -4.603 3.039 -5.689 1.00 1.00 H new ATOM 0 HA CYS A 86 -7.017 2.659 -3.938 1.00 1.00 H new ATOM 0 HB2 CYS A 86 -7.507 5.135 -4.447 1.00 1.00 H new ATOM 0 HB3 CYS A 86 -6.020 4.845 -3.565 1.00 1.00 H new ATOM 1166 N GLN A 87 -8.827 2.284 -5.321 1.00 1.00 N ATOM 1167 CA GLN A 87 -9.965 1.990 -6.075 1.00 1.00 C ATOM 1168 C GLN A 87 -10.786 0.787 -5.484 1.00 1.00 C ATOM 1169 O GLN A 87 -12.017 0.808 -5.489 1.00 1.00 O ATOM 1170 CB GLN A 87 -9.508 1.709 -7.480 1.00 1.00 C ATOM 1171 CG GLN A 87 -10.402 0.680 -8.177 1.00 1.00 C ATOM 1172 CD GLN A 87 -10.095 -0.735 -7.676 1.00 1.00 C ATOM 1173 OE1 GLN A 87 -9.046 -0.968 -7.094 1.00 1.00 O ATOM 1174 NE2 GLN A 87 -10.968 -1.683 -7.857 1.00 1.00 N ATOM 0 H GLN A 87 -8.838 1.874 -4.387 1.00 1.00 H new ATOM 0 HA GLN A 87 -10.648 2.839 -6.054 1.00 1.00 H new ATOM 0 HB2 GLN A 87 -9.507 2.636 -8.053 1.00 1.00 H new ATOM 0 HB3 GLN A 87 -8.481 1.344 -7.461 1.00 1.00 H new ATOM 0 HG2 GLN A 87 -11.450 0.917 -7.992 1.00 1.00 H new ATOM 0 HG3 GLN A 87 -10.250 0.730 -9.255 1.00 1.00 H new ATOM 0 HE21 GLN A 87 -11.843 -1.485 -8.343 1.00 1.00 H new ATOM 0 HE22 GLN A 87 -10.778 -2.624 -7.513 1.00 1.00 H new ATOM 1183 N GLY A 88 -10.100 -0.231 -5.065 1.00 1.00 N ATOM 1184 CA GLY A 88 -10.788 -1.456 -4.556 1.00 1.00 C ATOM 1185 C GLY A 88 -11.575 -1.242 -3.261 1.00 1.00 C ATOM 1186 O GLY A 88 -12.530 -0.464 -3.234 1.00 1.00 O ATOM 0 H GLY A 88 -9.081 -0.274 -5.051 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -11.468 -1.823 -5.325 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -10.044 -2.235 -4.391 1.00 1.00 H new ATOM 1190 N THR A 89 -11.236 -2.048 -2.190 1.00 1.00 N ATOM 1191 CA THR A 89 -12.016 -2.022 -0.926 1.00 1.00 C ATOM 1192 C THR A 89 -11.261 -1.703 0.340 1.00 1.00 C ATOM 1193 O THR A 89 -11.608 -0.755 1.016 1.00 1.00 O ATOM 1194 CB THR A 89 -12.727 -3.460 -0.799 1.00 1.00 C ATOM 1195 OG1 THR A 89 -14.079 -3.332 -1.231 1.00 1.00 O ATOM 1196 CG2 THR A 89 -12.723 -4.023 0.697 1.00 1.00 C ATOM 0 H THR A 89 -10.450 -2.699 -2.190 1.00 1.00 H new ATOM 0 HA THR A 89 -12.712 -1.187 -1.006 1.00 1.00 H new ATOM 0 HB THR A 89 -12.166 -4.162 -1.415 1.00 1.00 H new ATOM 0 HG1 THR A 89 -14.528 -4.200 -1.162 1.00 1.00 H new ATOM 0 HG21 THR A 89 -13.216 -4.995 0.721 1.00 1.00 H new ATOM 0 HG22 THR A 89 -11.695 -4.129 1.043 1.00 1.00 H new ATOM 0 HG23 THR A 89 -13.256 -3.330 1.348 1.00 1.00 H new ATOM 1204 N ALA A 90 -10.369 -2.572 0.715 1.00 1.00 N ATOM 1205 CA ALA A 90 -9.690 -2.495 2.006 1.00 1.00 C ATOM 1206 C ALA A 90 -10.459 -3.441 2.956 1.00 1.00 C ATOM 1207 O ALA A 90 -11.629 -3.244 3.281 1.00 1.00 O ATOM 1208 CB ALA A 90 -9.645 -1.120 2.610 1.00 1.00 C ATOM 0 H ALA A 90 -10.080 -3.364 0.141 1.00 1.00 H new ATOM 0 HA ALA A 90 -8.647 -2.775 1.857 1.00 1.00 H new ATOM 0 HB1 ALA A 90 -9.123 -1.159 3.566 1.00 1.00 H new ATOM 0 HB2 ALA A 90 -9.119 -0.444 1.936 1.00 1.00 H new ATOM 0 HB3 ALA A 90 -10.661 -0.758 2.766 1.00 1.00 H new ATOM 1214 N GLY A 91 -9.729 -4.370 3.420 1.00 1.00 N ATOM 1215 CA GLY A 91 -10.244 -5.421 4.499 1.00 1.00 C ATOM 1216 C GLY A 91 -9.025 -6.154 5.527 1.00 1.00 C ATOM 1217 O GLY A 91 -9.380 -6.729 6.549 1.00 1.00 O ATOM 0 H GLY A 91 -8.759 -4.513 3.137 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -10.974 -4.923 5.138 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -10.771 -6.218 3.974 1.00 1.00 H new ATOM 1221 N HIS A 92 -7.644 -6.000 5.204 1.00 1.00 N ATOM 1222 CA HIS A 92 -6.442 -6.557 6.145 1.00 1.00 C ATOM 1223 C HIS A 92 -6.443 -8.051 6.481 1.00 1.00 C ATOM 1224 O HIS A 92 -7.428 -8.534 7.041 1.00 1.00 O ATOM 1225 CB HIS A 92 -6.541 -5.813 7.591 1.00 1.00 C ATOM 1226 CG HIS A 92 -7.410 -6.580 8.619 1.00 1.00 C ATOM 1227 ND1 HIS A 92 -8.754 -6.287 8.827 1.00 1.00 N ATOM 1228 CD2 HIS A 92 -7.109 -7.595 9.494 1.00 1.00 C ATOM 1229 CE1 HIS A 92 -9.202 -7.114 9.797 1.00 1.00 C ATOM 1230 NE2 HIS A 92 -8.238 -7.929 10.237 1.00 1.00 N ATOM 0 H HIS A 92 -7.318 -5.529 4.360 1.00 1.00 H new ATOM 0 HA HIS A 92 -5.547 -6.360 5.555 1.00 1.00 H new ATOM 0 HB2 HIS A 92 -5.537 -5.688 7.997 1.00 1.00 H new ATOM 0 HB3 HIS A 92 -6.954 -4.814 7.450 1.00 1.00 H new ATOM 0 HD1 HIS A 92 -9.300 -5.578 8.337 1.00 1.00 H new ATOM 0 HD2 HIS A 92 -6.141 -8.064 9.591 1.00 1.00 H new ATOM 0 HE1 HIS A 92 -10.215 -7.116 10.171 1.00 1.00 H new ATOM 1239 N ALA A 93 -5.400 -8.801 6.183 1.00 1.00 N ATOM 1240 CA ALA A 93 -5.429 -10.315 6.570 1.00 1.00 C ATOM 1241 C ALA A 93 -4.667 -10.520 7.910 1.00 1.00 C ATOM 1242 O ALA A 93 -3.448 -10.573 7.945 1.00 1.00 O ATOM 1243 CB ALA A 93 -4.778 -11.262 5.406 1.00 1.00 C ATOM 0 H ALA A 93 -4.555 -8.479 5.712 1.00 1.00 H new ATOM 0 HA ALA A 93 -6.472 -10.612 6.682 1.00 1.00 H new ATOM 0 HB1 ALA A 93 -4.820 -12.305 5.720 1.00 1.00 H new ATOM 0 HB2 ALA A 93 -5.340 -11.138 4.480 1.00 1.00 H new ATOM 0 HB3 ALA A 93 -3.740 -10.974 5.242 1.00 1.00 H new ATOM 1249 N ALA A 94 -5.427 -10.631 8.998 1.00 1.00 N ATOM 1250 CA ALA A 94 -4.833 -10.824 10.332 1.00 1.00 C ATOM 1251 C ALA A 94 -4.184 -12.206 10.440 1.00 1.00 C ATOM 1252 O ALA A 94 -4.837 -13.109 10.939 1.00 1.00 O ATOM 1253 CB ALA A 94 -5.934 -10.681 11.431 1.00 1.00 C ATOM 0 H ALA A 94 -6.446 -10.592 8.990 1.00 1.00 H new ATOM 0 HA ALA A 94 -4.067 -10.062 10.479 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -5.487 -10.825 12.415 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -6.376 -9.686 11.376 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -6.708 -11.432 11.271 1.00 1.00 H new