USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 422 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 92:sc= 1.18 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.184 K(o=-0.18,f=-2.5) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 23 ASN : amide:sc= -0.0683 K(o=-0.068,f=-1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= 1.24 (180deg=1.17) USER MOD Single : A 46 SER OG : rot -74:sc= 1.3 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -60:sc= 1.26 USER MOD Single : A 53 ASN : amide:sc= -0.228 K(o=-0.23,f=-3.2!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.16 K(o=-0.16,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.078 -4.807 -13.651 1.00 1.00 N ATOM 2 CA ALA A 1 -0.990 -4.342 -12.244 1.00 1.00 C ATOM 3 C ALA A 1 -2.100 -3.343 -11.927 1.00 1.00 C ATOM 4 O ALA A 1 -2.101 -2.228 -12.448 1.00 1.00 O ATOM 5 CB ALA A 1 0.368 -3.709 -11.984 1.00 1.00 C ATOM 0 H1 ALA A 1 -0.313 -5.485 -13.841 1.00 1.00 H new ATOM 0 H2 ALA A 1 -1.997 -5.269 -13.807 1.00 1.00 H new ATOM 0 H3 ALA A 1 -0.987 -3.993 -14.292 1.00 1.00 H new ATOM 0 HA ALA A 1 -1.112 -5.208 -11.593 1.00 1.00 H new ATOM 0 HB1 ALA A 1 0.420 -3.372 -10.949 1.00 1.00 H new ATOM 0 HB2 ALA A 1 1.153 -4.443 -12.167 1.00 1.00 H new ATOM 0 HB3 ALA A 1 0.506 -2.857 -12.650 1.00 1.00 H new ATOM 11 N PRO A 2 -3.037 -3.677 -11.064 1.00 1.00 N ATOM 12 CA PRO A 2 -4.174 -2.853 -10.618 1.00 1.00 C ATOM 13 C PRO A 2 -3.693 -1.821 -9.618 1.00 1.00 C ATOM 14 O PRO A 2 -2.533 -1.808 -9.206 1.00 1.00 O ATOM 15 CB PRO A 2 -5.084 -3.891 -9.938 1.00 1.00 C ATOM 16 CG PRO A 2 -4.148 -4.827 -9.305 1.00 1.00 C ATOM 17 CD PRO A 2 -2.964 -4.899 -10.245 1.00 1.00 C ATOM 0 HA PRO A 2 -4.671 -2.301 -11.416 1.00 1.00 H new ATOM 0 HB2 PRO A 2 -5.740 -3.425 -9.203 1.00 1.00 H new ATOM 0 HB3 PRO A 2 -5.724 -4.395 -10.662 1.00 1.00 H new ATOM 0 HG2 PRO A 2 -3.847 -4.476 -8.318 1.00 1.00 H new ATOM 0 HG3 PRO A 2 -4.603 -5.808 -9.169 1.00 1.00 H new ATOM 0 HD2 PRO A 2 -2.026 -4.945 -9.692 1.00 1.00 H new ATOM 0 HD3 PRO A 2 -3.011 -5.792 -10.868 1.00 1.00 H new ATOM 25 N TRP A 3 -4.575 -0.903 -9.281 1.00 1.00 N ATOM 26 CA TRP A 3 -4.379 0.038 -8.190 1.00 1.00 C ATOM 27 C TRP A 3 -5.403 -0.231 -7.086 1.00 1.00 C ATOM 28 O TRP A 3 -6.381 -0.938 -7.275 1.00 1.00 O ATOM 29 CB TRP A 3 -4.450 1.483 -8.682 1.00 1.00 C ATOM 30 CG TRP A 3 -5.744 1.904 -9.343 1.00 1.00 C ATOM 31 CD1 TRP A 3 -6.035 1.853 -10.673 1.00 1.00 C ATOM 32 CD2 TRP A 3 -6.881 2.487 -8.713 1.00 1.00 C ATOM 33 NE1 TRP A 3 -7.285 2.360 -10.897 1.00 1.00 N ATOM 34 CE2 TRP A 3 -7.824 2.770 -9.718 1.00 1.00 C ATOM 35 CE3 TRP A 3 -7.185 2.841 -7.403 1.00 1.00 C ATOM 36 CZ2 TRP A 3 -9.070 3.340 -9.442 1.00 1.00 C ATOM 37 CZ3 TRP A 3 -8.412 3.415 -7.145 1.00 1.00 C ATOM 38 CH2 TRP A 3 -9.332 3.653 -8.158 1.00 1.00 C ATOM 0 H TRP A 3 -5.465 -0.785 -9.764 1.00 1.00 H new ATOM 0 HA TRP A 3 -3.380 -0.106 -7.778 1.00 1.00 H new ATOM 0 HB2 TRP A 3 -4.269 2.143 -7.833 1.00 1.00 H new ATOM 0 HB3 TRP A 3 -3.637 1.644 -9.389 1.00 1.00 H new ATOM 0 HD1 TRP A 3 -5.376 1.469 -11.437 1.00 1.00 H new ATOM 0 HE1 TRP A 3 -7.742 2.421 -11.807 1.00 1.00 H new ATOM 0 HE3 TRP A 3 -6.476 2.670 -6.606 1.00 1.00 H new ATOM 0 HZ2 TRP A 3 -9.792 3.522 -10.224 1.00 1.00 H new ATOM 0 HZ3 TRP A 3 -8.664 3.686 -6.130 1.00 1.00 H new ATOM 0 HH2 TRP A 3 -10.283 4.101 -7.910 1.00 1.00 H new ATOM 49 N ALA A 4 -5.148 0.344 -5.927 1.00 1.00 N ATOM 50 CA ALA A 4 -5.972 0.141 -4.760 1.00 1.00 C ATOM 51 C ALA A 4 -6.084 1.406 -3.931 1.00 1.00 C ATOM 52 O ALA A 4 -5.293 2.340 -4.078 1.00 1.00 O ATOM 53 CB ALA A 4 -5.360 -0.971 -3.902 1.00 1.00 C ATOM 0 H ALA A 4 -4.357 0.969 -5.772 1.00 1.00 H new ATOM 0 HA ALA A 4 -6.972 -0.137 -5.092 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -5.977 -1.130 -3.018 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -5.312 -1.893 -4.482 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -4.355 -0.682 -3.595 1.00 1.00 H new ATOM 59 N THR A 5 -7.061 1.415 -3.044 1.00 1.00 N ATOM 60 CA THR A 5 -7.315 2.529 -2.140 1.00 1.00 C ATOM 61 C THR A 5 -7.092 2.046 -0.713 1.00 1.00 C ATOM 62 O THR A 5 -7.606 1.001 -0.316 1.00 1.00 O ATOM 63 CB THR A 5 -8.761 3.033 -2.284 1.00 1.00 C ATOM 64 OG1 THR A 5 -8.973 3.440 -3.643 1.00 1.00 O ATOM 65 CG2 THR A 5 -9.000 4.249 -1.418 1.00 1.00 C ATOM 0 H THR A 5 -7.712 0.639 -2.927 1.00 1.00 H new ATOM 0 HA THR A 5 -6.641 3.350 -2.383 1.00 1.00 H new ATOM 0 HB THR A 5 -9.433 2.228 -1.986 1.00 1.00 H new ATOM 0 HG1 THR A 5 -9.326 2.685 -4.159 1.00 1.00 H new ATOM 0 HG21 THR A 5 -10.030 4.585 -1.539 1.00 1.00 H new ATOM 0 HG22 THR A 5 -8.822 3.993 -0.374 1.00 1.00 H new ATOM 0 HG23 THR A 5 -8.321 5.047 -1.716 1.00 1.00 H new ATOM 73 N ALA A 6 -6.278 2.770 0.039 1.00 1.00 N ATOM 74 CA ALA A 6 -5.992 2.384 1.408 1.00 1.00 C ATOM 75 C ALA A 6 -7.245 2.471 2.257 1.00 1.00 C ATOM 76 O ALA A 6 -8.010 3.440 2.198 1.00 1.00 O ATOM 77 CB ALA A 6 -4.928 3.306 1.982 1.00 1.00 C ATOM 0 H ALA A 6 -5.809 3.620 -0.273 1.00 1.00 H new ATOM 0 HA ALA A 6 -5.634 1.355 1.415 1.00 1.00 H new ATOM 0 HB1 ALA A 6 -4.712 3.017 3.011 1.00 1.00 H new ATOM 0 HB2 ALA A 6 -4.019 3.229 1.385 1.00 1.00 H new ATOM 0 HB3 ALA A 6 -5.289 4.334 1.962 1.00 1.00 H new ATOM 83 N GLU A 7 -7.447 1.445 3.071 1.00 1.00 N ATOM 84 CA GLU A 7 -8.601 1.411 3.965 1.00 1.00 C ATOM 85 C GLU A 7 -8.225 1.832 5.379 1.00 1.00 C ATOM 86 O GLU A 7 -9.090 2.290 6.127 1.00 1.00 O ATOM 87 CB GLU A 7 -9.142 -0.004 4.019 1.00 1.00 C ATOM 88 CG GLU A 7 -9.765 -0.482 2.721 1.00 1.00 C ATOM 89 CD GLU A 7 -10.203 -1.933 2.794 1.00 1.00 C ATOM 90 OE1 GLU A 7 -9.387 -2.789 3.220 1.00 1.00 O ATOM 91 OE2 GLU A 7 -11.352 -2.224 2.402 1.00 1.00 O ATOM 0 H GLU A 7 -6.835 0.631 3.133 1.00 1.00 H new ATOM 0 HA GLU A 7 -9.347 2.106 3.579 1.00 1.00 H new ATOM 0 HB2 GLU A 7 -8.332 -0.681 4.291 1.00 1.00 H new ATOM 0 HB3 GLU A 7 -9.888 -0.066 4.811 1.00 1.00 H new ATOM 0 HG2 GLU A 7 -10.625 0.143 2.481 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -9.047 -0.362 1.910 1.00 1.00 H new ATOM 98 N TYR A 8 -6.951 1.669 5.743 1.00 1.00 N ATOM 99 CA TYR A 8 -6.459 2.009 7.075 1.00 1.00 C ATOM 100 C TYR A 8 -5.098 2.638 6.890 1.00 1.00 C ATOM 101 O TYR A 8 -4.368 2.258 5.973 1.00 1.00 O ATOM 102 CB TYR A 8 -6.327 0.754 7.963 1.00 1.00 C ATOM 103 CG TYR A 8 -7.615 -0.013 8.106 1.00 1.00 C ATOM 104 CD1 TYR A 8 -8.539 0.392 9.042 1.00 1.00 C ATOM 105 CD2 TYR A 8 -7.944 -1.074 7.270 1.00 1.00 C ATOM 106 CE1 TYR A 8 -9.749 -0.257 9.211 1.00 1.00 C ATOM 107 CE2 TYR A 8 -9.179 -1.730 7.412 1.00 1.00 C ATOM 108 CZ TYR A 8 -10.069 -1.292 8.384 1.00 1.00 C ATOM 109 OH TYR A 8 -11.289 -1.928 8.572 1.00 1.00 O ATOM 0 H TYR A 8 -6.233 1.297 5.121 1.00 1.00 H new ATOM 0 HA TYR A 8 -7.157 2.686 7.568 1.00 1.00 H new ATOM 0 HB2 TYR A 8 -5.566 0.097 7.541 1.00 1.00 H new ATOM 0 HB3 TYR A 8 -5.978 1.052 8.952 1.00 1.00 H new ATOM 0 HD1 TYR A 8 -8.312 1.244 9.665 1.00 1.00 H new ATOM 0 HD2 TYR A 8 -7.248 -1.395 6.509 1.00 1.00 H new ATOM 0 HE1 TYR A 8 -10.432 0.053 9.989 1.00 1.00 H new ATOM 0 HE2 TYR A 8 -9.432 -2.564 6.774 1.00 1.00 H new ATOM 0 HH TYR A 8 -11.388 -2.646 7.913 1.00 1.00 H new ATOM 119 N ASP A 9 -4.722 3.541 7.776 1.00 1.00 N ATOM 120 CA ASP A 9 -3.405 4.150 7.740 1.00 1.00 C ATOM 121 C ASP A 9 -2.357 3.080 8.036 1.00 1.00 C ATOM 122 O ASP A 9 -2.538 2.297 8.982 1.00 1.00 O ATOM 123 CB ASP A 9 -3.224 5.219 8.842 1.00 1.00 C ATOM 124 CG ASP A 9 -4.014 6.481 8.653 1.00 1.00 C ATOM 125 OD1 ASP A 9 -4.656 6.712 7.612 1.00 1.00 O ATOM 126 OD2 ASP A 9 -4.019 7.313 9.590 1.00 1.00 O ATOM 0 H ASP A 9 -5.316 3.872 8.536 1.00 1.00 H new ATOM 0 HA ASP A 9 -3.295 4.604 6.755 1.00 1.00 H new ATOM 0 HB2 ASP A 9 -3.500 4.778 9.800 1.00 1.00 H new ATOM 0 HB3 ASP A 9 -2.167 5.478 8.903 1.00 1.00 H new ATOM 131 N TYR A 10 -1.264 3.059 7.285 1.00 1.00 N ATOM 132 CA TYR A 10 -0.175 2.117 7.523 1.00 1.00 C ATOM 133 C TYR A 10 1.108 2.905 7.590 1.00 1.00 C ATOM 134 O TYR A 10 1.432 3.662 6.667 1.00 1.00 O ATOM 135 CB TYR A 10 -0.038 1.027 6.450 1.00 1.00 C ATOM 136 CG TYR A 10 1.199 0.202 6.711 1.00 1.00 C ATOM 137 CD1 TYR A 10 1.249 -0.656 7.791 1.00 1.00 C ATOM 138 CD2 TYR A 10 2.350 0.346 5.954 1.00 1.00 C ATOM 139 CE1 TYR A 10 2.379 -1.352 8.115 1.00 1.00 C ATOM 140 CE2 TYR A 10 3.494 -0.366 6.264 1.00 1.00 C ATOM 141 CZ TYR A 10 3.507 -1.196 7.341 1.00 1.00 C ATOM 142 OH TYR A 10 4.641 -1.905 7.711 1.00 1.00 O ATOM 0 H TYR A 10 -1.106 3.689 6.499 1.00 1.00 H new ATOM 0 HA TYR A 10 -0.396 1.595 8.454 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -0.920 0.387 6.455 1.00 1.00 H new ATOM 0 HB3 TYR A 10 0.020 1.483 5.462 1.00 1.00 H new ATOM 0 HD1 TYR A 10 0.366 -0.781 8.400 1.00 1.00 H new ATOM 0 HD2 TYR A 10 2.354 1.022 5.112 1.00 1.00 H new ATOM 0 HE1 TYR A 10 2.387 -2.016 8.967 1.00 1.00 H new ATOM 0 HE2 TYR A 10 4.377 -0.263 5.651 1.00 1.00 H new ATOM 0 HH TYR A 10 5.368 -1.709 7.084 1.00 1.00 H new ATOM 152 N ASP A 11 1.802 2.750 8.704 1.00 1.00 N ATOM 153 CA ASP A 11 3.058 3.442 8.921 1.00 1.00 C ATOM 154 C ASP A 11 4.231 2.508 8.699 1.00 1.00 C ATOM 155 O ASP A 11 4.364 1.503 9.406 1.00 1.00 O ATOM 156 CB ASP A 11 3.133 3.953 10.356 1.00 1.00 C ATOM 157 CG ASP A 11 4.235 4.961 10.577 1.00 1.00 C ATOM 158 OD1 ASP A 11 4.198 6.089 10.041 1.00 1.00 O ATOM 159 OD2 ASP A 11 5.166 4.691 11.340 1.00 1.00 O ATOM 0 H ASP A 11 1.514 2.148 9.475 1.00 1.00 H new ATOM 0 HA ASP A 11 3.105 4.272 8.216 1.00 1.00 H new ATOM 0 HB2 ASP A 11 2.178 4.406 10.623 1.00 1.00 H new ATOM 0 HB3 ASP A 11 3.284 3.108 11.027 1.00 1.00 H new ATOM 164 N ALA A 12 5.094 2.821 7.751 1.00 1.00 N ATOM 165 CA ALA A 12 6.248 1.972 7.537 1.00 1.00 C ATOM 166 C ALA A 12 7.117 1.908 8.780 1.00 1.00 C ATOM 167 O ALA A 12 7.448 2.919 9.379 1.00 1.00 O ATOM 168 CB ALA A 12 7.089 2.506 6.402 1.00 1.00 C ATOM 0 H ALA A 12 5.023 3.631 7.135 1.00 1.00 H new ATOM 0 HA ALA A 12 5.878 0.975 7.298 1.00 1.00 H new ATOM 0 HB1 ALA A 12 7.953 1.858 6.253 1.00 1.00 H new ATOM 0 HB2 ALA A 12 6.494 2.533 5.489 1.00 1.00 H new ATOM 0 HB3 ALA A 12 7.429 3.513 6.643 1.00 1.00 H new ATOM 174 N ALA A 13 7.557 0.702 9.100 1.00 1.00 N ATOM 175 CA ALA A 13 8.469 0.471 10.207 1.00 1.00 C ATOM 176 C ALA A 13 9.867 0.173 9.686 1.00 1.00 C ATOM 177 O ALA A 13 10.784 -0.037 10.468 1.00 1.00 O ATOM 178 CB ALA A 13 7.982 -0.690 11.077 1.00 1.00 C ATOM 0 H ALA A 13 7.291 -0.145 8.598 1.00 1.00 H new ATOM 0 HA ALA A 13 8.500 1.375 10.816 1.00 1.00 H new ATOM 0 HB1 ALA A 13 8.680 -0.846 11.900 1.00 1.00 H new ATOM 0 HB2 ALA A 13 6.995 -0.456 11.477 1.00 1.00 H new ATOM 0 HB3 ALA A 13 7.924 -1.596 10.475 1.00 1.00 H new ATOM 184 N GLU A 14 10.030 0.099 8.368 1.00 1.00 N ATOM 185 CA GLU A 14 11.321 -0.206 7.766 1.00 1.00 C ATOM 186 C GLU A 14 11.533 0.734 6.601 1.00 1.00 C ATOM 187 O GLU A 14 10.570 1.296 6.068 1.00 1.00 O ATOM 188 CB GLU A 14 11.402 -1.659 7.252 1.00 1.00 C ATOM 189 CG GLU A 14 11.393 -2.732 8.306 1.00 1.00 C ATOM 190 CD GLU A 14 11.369 -4.156 7.754 1.00 1.00 C ATOM 191 OE1 GLU A 14 11.318 -4.324 6.519 1.00 1.00 O ATOM 192 OE2 GLU A 14 11.383 -5.091 8.576 1.00 1.00 O ATOM 0 H GLU A 14 9.278 0.247 7.695 1.00 1.00 H new ATOM 0 HA GLU A 14 12.089 -0.084 8.530 1.00 1.00 H new ATOM 0 HB2 GLU A 14 10.563 -1.832 6.578 1.00 1.00 H new ATOM 0 HB3 GLU A 14 12.312 -1.765 6.662 1.00 1.00 H new ATOM 0 HG2 GLU A 14 12.275 -2.614 8.936 1.00 1.00 H new ATOM 0 HG3 GLU A 14 10.523 -2.588 8.946 1.00 1.00 H new ATOM 199 N ASP A 15 12.771 0.831 6.120 1.00 1.00 N ATOM 200 CA ASP A 15 13.084 1.684 4.988 1.00 1.00 C ATOM 201 C ASP A 15 12.425 1.251 3.693 1.00 1.00 C ATOM 202 O ASP A 15 12.076 2.096 2.884 1.00 1.00 O ATOM 203 CB ASP A 15 14.586 1.748 4.753 1.00 1.00 C ATOM 204 CG ASP A 15 15.258 2.783 5.603 1.00 1.00 C ATOM 205 OD1 ASP A 15 14.596 3.719 6.113 1.00 1.00 O ATOM 206 OD2 ASP A 15 16.495 2.775 5.764 1.00 1.00 O ATOM 0 H ASP A 15 13.571 0.326 6.501 1.00 1.00 H new ATOM 0 HA ASP A 15 12.687 2.663 5.257 1.00 1.00 H new ATOM 0 HB2 ASP A 15 15.025 0.772 4.961 1.00 1.00 H new ATOM 0 HB3 ASP A 15 14.777 1.966 3.702 1.00 1.00 H new ATOM 211 N ASN A 16 12.237 -0.058 3.514 1.00 1.00 N ATOM 212 CA ASN A 16 11.616 -0.579 2.292 1.00 1.00 C ATOM 213 C ASN A 16 10.090 -0.646 2.334 1.00 1.00 C ATOM 214 O ASN A 16 9.478 -1.104 1.375 1.00 1.00 O ATOM 215 CB ASN A 16 12.211 -1.954 1.923 1.00 1.00 C ATOM 216 CG ASN A 16 11.972 -3.003 2.976 1.00 1.00 C ATOM 217 OD1 ASN A 16 11.333 -2.778 3.965 1.00 1.00 O ATOM 218 ND2 ASN A 16 12.509 -4.206 2.741 1.00 1.00 N ATOM 0 H ASN A 16 12.503 -0.772 4.192 1.00 1.00 H new ATOM 0 HA ASN A 16 11.853 0.147 1.514 1.00 1.00 H new ATOM 0 HB2 ASN A 16 11.779 -2.289 0.980 1.00 1.00 H new ATOM 0 HB3 ASN A 16 13.284 -1.848 1.762 1.00 1.00 H new ATOM 0 HD21 ASN A 16 12.379 -4.962 3.413 1.00 1.00 H new ATOM 0 HD22 ASN A 16 13.048 -4.367 1.890 1.00 1.00 H new ATOM 225 N GLU A 17 9.474 -0.144 3.407 1.00 1.00 N ATOM 226 CA GLU A 17 8.022 -0.151 3.551 1.00 1.00 C ATOM 227 C GLU A 17 7.404 1.195 3.251 1.00 1.00 C ATOM 228 O GLU A 17 7.921 2.243 3.655 1.00 1.00 O ATOM 229 CB GLU A 17 7.651 -0.543 4.981 1.00 1.00 C ATOM 230 CG GLU A 17 8.100 -1.948 5.311 1.00 1.00 C ATOM 231 CD GLU A 17 7.403 -3.022 4.524 1.00 1.00 C ATOM 232 OE1 GLU A 17 6.290 -2.754 4.020 1.00 1.00 O ATOM 233 OE2 GLU A 17 7.956 -4.134 4.418 1.00 1.00 O ATOM 0 H GLU A 17 9.967 0.276 4.195 1.00 1.00 H new ATOM 0 HA GLU A 17 7.635 -0.872 2.831 1.00 1.00 H new ATOM 0 HB2 GLU A 17 8.107 0.158 5.680 1.00 1.00 H new ATOM 0 HB3 GLU A 17 6.571 -0.466 5.111 1.00 1.00 H new ATOM 0 HG2 GLU A 17 9.173 -2.024 5.136 1.00 1.00 H new ATOM 0 HG3 GLU A 17 7.937 -2.129 6.373 1.00 1.00 H new ATOM 240 N LEU A 18 6.290 1.175 2.515 1.00 1.00 N ATOM 241 CA LEU A 18 5.543 2.390 2.197 1.00 1.00 C ATOM 242 C LEU A 18 4.755 2.859 3.408 1.00 1.00 C ATOM 243 O LEU A 18 4.264 2.061 4.212 1.00 1.00 O ATOM 244 CB LEU A 18 4.521 2.112 1.098 1.00 1.00 C ATOM 245 CG LEU A 18 5.037 1.816 -0.301 1.00 1.00 C ATOM 246 CD1 LEU A 18 3.914 1.409 -1.246 1.00 1.00 C ATOM 247 CD2 LEU A 18 5.711 3.040 -0.822 1.00 1.00 C ATOM 0 H LEU A 18 5.885 0.323 2.127 1.00 1.00 H new ATOM 0 HA LEU A 18 6.266 3.143 1.882 1.00 1.00 H new ATOM 0 HB2 LEU A 18 3.912 1.265 1.415 1.00 1.00 H new ATOM 0 HB3 LEU A 18 3.858 2.975 1.033 1.00 1.00 H new ATOM 0 HG LEU A 18 5.735 0.980 -0.246 1.00 1.00 H new ATOM 0 HD11 LEU A 18 4.326 1.206 -2.235 1.00 1.00 H new ATOM 0 HD12 LEU A 18 3.426 0.512 -0.866 1.00 1.00 H new ATOM 0 HD13 LEU A 18 3.186 2.217 -1.315 1.00 1.00 H new ATOM 0 HD21 LEU A 18 6.089 2.848 -1.826 1.00 1.00 H new ATOM 0 HD22 LEU A 18 4.997 3.863 -0.854 1.00 1.00 H new ATOM 0 HD23 LEU A 18 6.541 3.305 -0.167 1.00 1.00 H new ATOM 259 N THR A 19 4.624 4.163 3.505 1.00 1.00 N ATOM 260 CA THR A 19 3.847 4.852 4.523 1.00 1.00 C ATOM 261 C THR A 19 2.717 5.554 3.780 1.00 1.00 C ATOM 262 O THR A 19 2.975 6.251 2.815 1.00 1.00 O ATOM 263 CB THR A 19 4.707 5.892 5.261 1.00 1.00 C ATOM 264 OG1 THR A 19 5.782 5.221 5.908 1.00 1.00 O ATOM 265 CG2 THR A 19 3.921 6.634 6.349 1.00 1.00 C ATOM 0 H THR A 19 5.073 4.804 2.851 1.00 1.00 H new ATOM 0 HA THR A 19 3.475 4.151 5.271 1.00 1.00 H new ATOM 0 HB THR A 19 5.050 6.612 4.518 1.00 1.00 H new ATOM 0 HG1 THR A 19 6.338 5.875 6.381 1.00 1.00 H new ATOM 0 HG21 THR A 19 4.573 7.357 6.840 1.00 1.00 H new ATOM 0 HG22 THR A 19 3.077 7.155 5.897 1.00 1.00 H new ATOM 0 HG23 THR A 19 3.554 5.918 7.085 1.00 1.00 H new ATOM 273 N PHE A 20 1.477 5.364 4.238 1.00 1.00 N ATOM 274 CA PHE A 20 0.344 5.994 3.596 1.00 1.00 C ATOM 275 C PHE A 20 -0.775 6.171 4.582 1.00 1.00 C ATOM 276 O PHE A 20 -0.718 5.616 5.669 1.00 1.00 O ATOM 277 CB PHE A 20 -0.096 5.222 2.352 1.00 1.00 C ATOM 278 CG PHE A 20 -0.394 3.759 2.577 1.00 1.00 C ATOM 279 CD1 PHE A 20 -1.574 3.330 3.168 1.00 1.00 C ATOM 280 CD2 PHE A 20 0.490 2.803 2.115 1.00 1.00 C ATOM 281 CE1 PHE A 20 -1.845 1.986 3.309 1.00 1.00 C ATOM 282 CE2 PHE A 20 0.216 1.455 2.253 1.00 1.00 C ATOM 283 CZ PHE A 20 -0.945 1.053 2.860 1.00 1.00 C ATOM 0 H PHE A 20 1.244 4.783 5.043 1.00 1.00 H new ATOM 0 HA PHE A 20 0.644 6.983 3.251 1.00 1.00 H new ATOM 0 HB2 PHE A 20 -0.987 5.699 1.944 1.00 1.00 H new ATOM 0 HB3 PHE A 20 0.685 5.306 1.597 1.00 1.00 H new ATOM 0 HD1 PHE A 20 -2.289 4.058 3.522 1.00 1.00 H new ATOM 0 HD2 PHE A 20 1.408 3.113 1.639 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -2.767 1.667 3.773 1.00 1.00 H new ATOM 0 HE2 PHE A 20 0.916 0.720 1.883 1.00 1.00 H new ATOM 0 HZ PHE A 20 -1.152 0.000 2.985 1.00 1.00 H new ATOM 293 N VAL A 21 -1.797 6.933 4.194 1.00 1.00 N ATOM 294 CA VAL A 21 -2.966 7.141 5.033 1.00 1.00 C ATOM 295 C VAL A 21 -4.210 6.653 4.314 1.00 1.00 C ATOM 296 O VAL A 21 -4.213 6.497 3.097 1.00 1.00 O ATOM 297 CB VAL A 21 -3.130 8.622 5.456 1.00 1.00 C ATOM 298 CG1 VAL A 21 -2.000 9.019 6.396 1.00 1.00 C ATOM 299 CG2 VAL A 21 -3.193 9.531 4.252 1.00 1.00 C ATOM 0 H VAL A 21 -1.834 7.417 3.297 1.00 1.00 H new ATOM 0 HA VAL A 21 -2.823 6.564 5.947 1.00 1.00 H new ATOM 0 HB VAL A 21 -4.075 8.731 5.987 1.00 1.00 H new ATOM 0 HG11 VAL A 21 -2.121 10.062 6.690 1.00 1.00 H new ATOM 0 HG12 VAL A 21 -2.026 8.386 7.283 1.00 1.00 H new ATOM 0 HG13 VAL A 21 -1.044 8.894 5.889 1.00 1.00 H new ATOM 0 HG21 VAL A 21 -3.308 10.564 4.581 1.00 1.00 H new ATOM 0 HG22 VAL A 21 -2.273 9.435 3.675 1.00 1.00 H new ATOM 0 HG23 VAL A 21 -4.043 9.252 3.629 1.00 1.00 H new ATOM 309 N GLU A 22 -5.264 6.413 5.081 1.00 1.00 N ATOM 310 CA GLU A 22 -6.548 6.010 4.565 1.00 1.00 C ATOM 311 C GLU A 22 -6.901 6.907 3.385 1.00 1.00 C ATOM 312 O GLU A 22 -6.740 8.133 3.435 1.00 1.00 O ATOM 313 CB GLU A 22 -7.616 6.162 5.668 1.00 1.00 C ATOM 314 CG GLU A 22 -8.950 5.503 5.283 1.00 1.00 C ATOM 315 CD GLU A 22 -10.082 5.740 6.270 1.00 1.00 C ATOM 316 OE1 GLU A 22 -9.812 6.303 7.343 1.00 1.00 O ATOM 317 OE2 GLU A 22 -11.238 5.353 5.972 1.00 1.00 O ATOM 0 H GLU A 22 -5.242 6.497 6.097 1.00 1.00 H new ATOM 0 HA GLU A 22 -6.512 4.969 4.244 1.00 1.00 H new ATOM 0 HB2 GLU A 22 -7.247 5.717 6.592 1.00 1.00 H new ATOM 0 HB3 GLU A 22 -7.781 7.221 5.868 1.00 1.00 H new ATOM 0 HG2 GLU A 22 -9.255 5.875 4.305 1.00 1.00 H new ATOM 0 HG3 GLU A 22 -8.793 4.429 5.181 1.00 1.00 H new ATOM 324 N ASN A 23 -7.415 6.289 2.334 1.00 1.00 N ATOM 325 CA ASN A 23 -7.825 6.942 1.102 1.00 1.00 C ATOM 326 C ASN A 23 -6.736 7.274 0.116 1.00 1.00 C ATOM 327 O ASN A 23 -7.043 7.593 -1.017 1.00 1.00 O ATOM 328 CB ASN A 23 -8.748 8.110 1.337 1.00 1.00 C ATOM 329 CG ASN A 23 -10.058 7.660 1.909 1.00 1.00 C ATOM 330 OD1 ASN A 23 -10.581 6.594 1.542 1.00 1.00 O ATOM 331 ND2 ASN A 23 -10.577 8.430 2.856 1.00 1.00 N ATOM 0 H ASN A 23 -7.564 5.280 2.315 1.00 1.00 H new ATOM 0 HA ASN A 23 -8.390 6.156 0.600 1.00 1.00 H new ATOM 0 HB2 ASN A 23 -8.276 8.819 2.017 1.00 1.00 H new ATOM 0 HB3 ASN A 23 -8.920 8.636 0.398 1.00 1.00 H new ATOM 0 HD21 ASN A 23 -11.444 8.156 3.318 1.00 1.00 H new ATOM 0 HD22 ASN A 23 -10.109 9.297 3.122 1.00 1.00 H new ATOM 338 N ASP A 24 -5.479 7.124 0.493 1.00 1.00 N ATOM 339 CA ASP A 24 -4.419 7.246 -0.499 1.00 1.00 C ATOM 340 C ASP A 24 -4.522 6.087 -1.481 1.00 1.00 C ATOM 341 O ASP A 24 -4.906 4.987 -1.113 1.00 1.00 O ATOM 342 CB ASP A 24 -3.038 7.176 0.153 1.00 1.00 C ATOM 343 CG ASP A 24 -2.644 8.404 0.894 1.00 1.00 C ATOM 344 OD1 ASP A 24 -3.306 9.463 0.749 1.00 1.00 O ATOM 345 OD2 ASP A 24 -1.618 8.338 1.634 1.00 1.00 O ATOM 0 H ASP A 24 -5.170 6.924 1.444 1.00 1.00 H new ATOM 0 HA ASP A 24 -4.536 8.208 -0.998 1.00 1.00 H new ATOM 0 HB2 ASP A 24 -3.017 6.330 0.840 1.00 1.00 H new ATOM 0 HB3 ASP A 24 -2.295 6.979 -0.619 1.00 1.00 H new ATOM 350 N LYS A 25 -4.155 6.328 -2.725 1.00 1.00 N ATOM 351 CA LYS A 25 -4.118 5.297 -3.743 1.00 1.00 C ATOM 352 C LYS A 25 -2.712 4.721 -3.910 1.00 1.00 C ATOM 353 O LYS A 25 -1.717 5.438 -3.815 1.00 1.00 O ATOM 354 CB LYS A 25 -4.609 5.850 -5.070 1.00 1.00 C ATOM 355 CG LYS A 25 -6.089 6.168 -5.058 1.00 1.00 C ATOM 356 CD LYS A 25 -6.507 6.702 -6.436 1.00 1.00 C ATOM 357 CE LYS A 25 -8.005 6.981 -6.518 1.00 1.00 C ATOM 358 NZ LYS A 25 -8.384 7.543 -7.867 1.00 1.00 N ATOM 0 H LYS A 25 -3.873 7.249 -3.059 1.00 1.00 H new ATOM 0 HA LYS A 25 -4.777 4.491 -3.420 1.00 1.00 H new ATOM 0 HB2 LYS A 25 -4.049 6.753 -5.312 1.00 1.00 H new ATOM 0 HB3 LYS A 25 -4.403 5.127 -5.859 1.00 1.00 H new ATOM 0 HG2 LYS A 25 -6.662 5.274 -4.813 1.00 1.00 H new ATOM 0 HG3 LYS A 25 -6.307 6.908 -4.288 1.00 1.00 H new ATOM 0 HD2 LYS A 25 -5.957 7.618 -6.651 1.00 1.00 H new ATOM 0 HD3 LYS A 25 -6.232 5.978 -7.203 1.00 1.00 H new ATOM 0 HE2 LYS A 25 -8.559 6.060 -6.336 1.00 1.00 H new ATOM 0 HE3 LYS A 25 -8.290 7.684 -5.735 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 -9.408 7.723 -7.893 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 -7.872 8.434 -8.028 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 -8.133 6.860 -8.610 1.00 1.00 H new ATOM 372 N ILE A 26 -2.648 3.412 -4.082 1.00 1.00 N ATOM 373 CA ILE A 26 -1.400 2.690 -4.299 1.00 1.00 C ATOM 374 C ILE A 26 -1.567 2.086 -5.686 1.00 1.00 C ATOM 375 O ILE A 26 -2.535 1.374 -5.949 1.00 1.00 O ATOM 376 CB ILE A 26 -1.195 1.589 -3.255 1.00 1.00 C ATOM 377 CG1 ILE A 26 -1.015 2.168 -1.871 1.00 1.00 C ATOM 378 CG2 ILE A 26 0.062 0.804 -3.626 1.00 1.00 C ATOM 379 CD1 ILE A 26 -2.269 2.480 -1.057 1.00 1.00 C ATOM 0 H ILE A 26 -3.471 2.810 -4.075 1.00 1.00 H new ATOM 0 HA ILE A 26 -0.529 3.340 -4.215 1.00 1.00 H new ATOM 0 HB ILE A 26 -2.076 0.947 -3.245 1.00 1.00 H new ATOM 0 HG12 ILE A 26 -0.407 1.472 -1.294 1.00 1.00 H new ATOM 0 HG13 ILE A 26 -0.441 3.089 -1.966 1.00 1.00 H new ATOM 0 HG21 ILE A 26 0.227 0.013 -2.894 1.00 1.00 H new ATOM 0 HG22 ILE A 26 -0.063 0.363 -4.615 1.00 1.00 H new ATOM 0 HG23 ILE A 26 0.921 1.475 -3.635 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -1.982 2.889 -0.088 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -2.878 3.209 -1.592 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -2.844 1.566 -0.909 1.00 1.00 H new ATOM 391 N ILE A 27 -0.628 2.363 -6.573 1.00 1.00 N ATOM 392 CA ILE A 27 -0.736 1.998 -7.974 1.00 1.00 C ATOM 393 C ILE A 27 0.331 0.992 -8.386 1.00 1.00 C ATOM 394 O ILE A 27 1.315 0.755 -7.667 1.00 1.00 O ATOM 395 CB ILE A 27 -0.692 3.260 -8.884 1.00 1.00 C ATOM 396 CG1 ILE A 27 0.705 3.854 -8.952 1.00 1.00 C ATOM 397 CG2 ILE A 27 -1.700 4.303 -8.402 1.00 1.00 C ATOM 398 CD1 ILE A 27 0.812 4.958 -10.012 1.00 1.00 C ATOM 0 H ILE A 27 0.237 2.851 -6.340 1.00 1.00 H new ATOM 0 HA ILE A 27 -1.704 1.514 -8.106 1.00 1.00 H new ATOM 0 HB ILE A 27 -0.965 2.950 -9.893 1.00 1.00 H new ATOM 0 HG12 ILE A 27 0.973 4.261 -7.977 1.00 1.00 H new ATOM 0 HG13 ILE A 27 1.423 3.065 -9.177 1.00 1.00 H new ATOM 0 HG21 ILE A 27 -1.656 5.179 -9.050 1.00 1.00 H new ATOM 0 HG22 ILE A 27 -2.704 3.880 -8.432 1.00 1.00 H new ATOM 0 HG23 ILE A 27 -1.460 4.595 -7.380 1.00 1.00 H new ATOM 0 HD11 ILE A 27 1.828 5.353 -10.025 1.00 1.00 H new ATOM 0 HD12 ILE A 27 0.571 4.546 -10.992 1.00 1.00 H new ATOM 0 HD13 ILE A 27 0.114 5.760 -9.774 1.00 1.00 H new ATOM 410 N ASN A 28 0.141 0.386 -9.547 1.00 1.00 N ATOM 411 CA ASN A 28 1.085 -0.590 -10.098 1.00 1.00 C ATOM 412 C ASN A 28 1.420 -1.662 -9.080 1.00 1.00 C ATOM 413 O ASN A 28 2.584 -2.001 -8.848 1.00 1.00 O ATOM 414 CB ASN A 28 2.351 0.072 -10.609 1.00 1.00 C ATOM 415 CG ASN A 28 2.067 1.080 -11.729 1.00 1.00 C ATOM 416 OD1 ASN A 28 1.191 0.852 -12.558 1.00 1.00 O ATOM 417 ND2 ASN A 28 2.693 2.252 -11.653 1.00 1.00 N ATOM 0 H ASN A 28 -0.672 0.553 -10.140 1.00 1.00 H new ATOM 0 HA ASN A 28 0.593 -1.063 -10.948 1.00 1.00 H new ATOM 0 HB2 ASN A 28 2.852 0.579 -9.784 1.00 1.00 H new ATOM 0 HB3 ASN A 28 3.036 -0.692 -10.976 1.00 1.00 H new ATOM 0 HD21 ASN A 28 2.450 3.003 -12.299 1.00 1.00 H new ATOM 0 HD22 ASN A 28 3.416 2.399 -10.948 1.00 1.00 H new ATOM 424 N ILE A 29 0.385 -2.244 -8.508 1.00 1.00 N ATOM 425 CA ILE A 29 0.584 -3.275 -7.514 1.00 1.00 C ATOM 426 C ILE A 29 1.149 -4.537 -8.148 1.00 1.00 C ATOM 427 O ILE A 29 0.650 -5.025 -9.161 1.00 1.00 O ATOM 428 CB ILE A 29 -0.723 -3.556 -6.786 1.00 1.00 C ATOM 429 CG1 ILE A 29 -1.123 -2.289 -6.040 1.00 1.00 C ATOM 430 CG2 ILE A 29 -0.612 -4.749 -5.830 1.00 1.00 C ATOM 431 CD1 ILE A 29 -2.498 -2.297 -5.446 1.00 1.00 C ATOM 0 H ILE A 29 -0.590 -2.023 -8.712 1.00 1.00 H new ATOM 0 HA ILE A 29 1.313 -2.924 -6.784 1.00 1.00 H new ATOM 0 HB ILE A 29 -1.488 -3.828 -7.513 1.00 1.00 H new ATOM 0 HG12 ILE A 29 -0.402 -2.116 -5.241 1.00 1.00 H new ATOM 0 HG13 ILE A 29 -1.047 -1.445 -6.726 1.00 1.00 H new ATOM 0 HG21 ILE A 29 -1.570 -4.909 -5.335 1.00 1.00 H new ATOM 0 HG22 ILE A 29 -0.341 -5.642 -6.393 1.00 1.00 H new ATOM 0 HG23 ILE A 29 0.154 -4.545 -5.081 1.00 1.00 H new ATOM 0 HD11 ILE A 29 -2.681 -1.350 -4.939 1.00 1.00 H new ATOM 0 HD12 ILE A 29 -3.235 -2.433 -6.237 1.00 1.00 H new ATOM 0 HD13 ILE A 29 -2.580 -3.114 -4.729 1.00 1.00 H new ATOM 443 N GLU A 30 2.212 -5.032 -7.533 1.00 1.00 N ATOM 444 CA GLU A 30 2.901 -6.230 -7.952 1.00 1.00 C ATOM 445 C GLU A 30 2.704 -7.263 -6.860 1.00 1.00 C ATOM 446 O GLU A 30 2.924 -6.991 -5.679 1.00 1.00 O ATOM 447 CB GLU A 30 4.377 -5.916 -8.242 1.00 1.00 C ATOM 448 CG GLU A 30 4.457 -5.001 -9.471 1.00 1.00 C ATOM 449 CD GLU A 30 5.842 -4.513 -9.901 1.00 1.00 C ATOM 450 OE1 GLU A 30 6.814 -4.925 -9.250 1.00 1.00 O ATOM 451 OE2 GLU A 30 5.971 -3.643 -10.792 1.00 1.00 O ATOM 0 H GLU A 30 2.625 -4.596 -6.708 1.00 1.00 H new ATOM 0 HA GLU A 30 2.500 -6.630 -8.884 1.00 1.00 H new ATOM 0 HB2 GLU A 30 4.836 -5.431 -7.380 1.00 1.00 H new ATOM 0 HB3 GLU A 30 4.931 -6.838 -8.421 1.00 1.00 H new ATOM 0 HG2 GLU A 30 4.010 -5.530 -10.313 1.00 1.00 H new ATOM 0 HG3 GLU A 30 3.837 -4.125 -9.279 1.00 1.00 H new ATOM 458 N PHE A 31 2.245 -8.447 -7.257 1.00 1.00 N ATOM 459 CA PHE A 31 1.921 -9.515 -6.323 1.00 1.00 C ATOM 460 C PHE A 31 3.208 -10.181 -5.860 1.00 1.00 C ATOM 461 O PHE A 31 3.470 -11.344 -6.147 1.00 1.00 O ATOM 462 CB PHE A 31 0.965 -10.501 -6.998 1.00 1.00 C ATOM 463 CG PHE A 31 0.382 -11.506 -6.031 1.00 1.00 C ATOM 464 CD1 PHE A 31 -0.578 -11.124 -5.137 1.00 1.00 C ATOM 465 CD2 PHE A 31 0.830 -12.808 -5.997 1.00 1.00 C ATOM 466 CE1 PHE A 31 -1.124 -12.043 -4.225 1.00 1.00 C ATOM 467 CE2 PHE A 31 0.293 -13.709 -5.106 1.00 1.00 C ATOM 468 CZ PHE A 31 -0.670 -13.327 -4.220 1.00 1.00 C ATOM 0 H PHE A 31 2.088 -8.690 -8.235 1.00 1.00 H new ATOM 0 HA PHE A 31 1.418 -9.120 -5.440 1.00 1.00 H new ATOM 0 HB2 PHE A 31 0.155 -9.948 -7.472 1.00 1.00 H new ATOM 0 HB3 PHE A 31 1.495 -11.030 -7.789 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -0.922 -10.100 -5.131 1.00 1.00 H new ATOM 0 HD2 PHE A 31 1.609 -13.124 -6.675 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -1.896 -11.734 -3.535 1.00 1.00 H new ATOM 0 HE2 PHE A 31 0.639 -14.732 -5.109 1.00 1.00 H new ATOM 0 HZ PHE A 31 -1.072 -14.041 -3.516 1.00 1.00 H new ATOM 478 N VAL A 32 3.978 -9.463 -5.060 1.00 1.00 N ATOM 479 CA VAL A 32 5.241 -9.995 -4.551 1.00 1.00 C ATOM 480 C VAL A 32 5.075 -11.137 -3.574 1.00 1.00 C ATOM 481 O VAL A 32 5.775 -12.125 -3.696 1.00 1.00 O ATOM 482 CB VAL A 32 6.114 -8.895 -3.892 1.00 1.00 C ATOM 483 CG1 VAL A 32 7.316 -9.512 -3.189 1.00 1.00 C ATOM 484 CG2 VAL A 32 6.554 -7.857 -4.905 1.00 1.00 C ATOM 0 H VAL A 32 3.758 -8.517 -4.748 1.00 1.00 H new ATOM 0 HA VAL A 32 5.744 -10.384 -5.436 1.00 1.00 H new ATOM 0 HB VAL A 32 5.503 -8.387 -3.145 1.00 1.00 H new ATOM 0 HG11 VAL A 32 7.915 -8.724 -2.733 1.00 1.00 H new ATOM 0 HG12 VAL A 32 6.972 -10.199 -2.416 1.00 1.00 H new ATOM 0 HG13 VAL A 32 7.922 -10.055 -3.914 1.00 1.00 H new ATOM 0 HG21 VAL A 32 7.164 -7.101 -4.410 1.00 1.00 H new ATOM 0 HG22 VAL A 32 7.139 -8.339 -5.689 1.00 1.00 H new ATOM 0 HG23 VAL A 32 5.676 -7.384 -5.346 1.00 1.00 H new ATOM 494 N ASP A 33 4.144 -11.023 -2.640 1.00 1.00 N ATOM 495 CA ASP A 33 3.866 -12.057 -1.652 1.00 1.00 C ATOM 496 C ASP A 33 2.347 -12.130 -1.506 1.00 1.00 C ATOM 497 O ASP A 33 1.654 -11.202 -1.891 1.00 1.00 O ATOM 498 CB ASP A 33 4.561 -11.683 -0.341 1.00 1.00 C ATOM 499 CG ASP A 33 4.301 -12.664 0.760 1.00 1.00 C ATOM 500 OD1 ASP A 33 4.746 -13.845 0.703 1.00 1.00 O ATOM 501 OD2 ASP A 33 3.614 -12.279 1.741 1.00 1.00 O ATOM 0 H ASP A 33 3.551 -10.199 -2.544 1.00 1.00 H new ATOM 0 HA ASP A 33 4.243 -13.036 -1.948 1.00 1.00 H new ATOM 0 HB2 ASP A 33 5.635 -11.614 -0.513 1.00 1.00 H new ATOM 0 HB3 ASP A 33 4.224 -10.695 -0.027 1.00 1.00 H new ATOM 506 N ASP A 34 1.827 -13.240 -0.956 1.00 1.00 N ATOM 507 CA ASP A 34 0.393 -13.412 -0.768 1.00 1.00 C ATOM 508 C ASP A 34 -0.171 -12.396 0.217 1.00 1.00 C ATOM 509 O ASP A 34 -1.306 -11.959 0.093 1.00 1.00 O ATOM 510 CB ASP A 34 0.063 -14.797 -0.186 1.00 1.00 C ATOM 511 CG ASP A 34 0.230 -15.914 -1.168 1.00 1.00 C ATOM 512 OD1 ASP A 34 0.406 -15.673 -2.379 1.00 1.00 O ATOM 513 OD2 ASP A 34 0.233 -17.094 -0.786 1.00 1.00 O ATOM 0 H ASP A 34 2.388 -14.029 -0.636 1.00 1.00 H new ATOM 0 HA ASP A 34 -0.048 -13.285 -1.757 1.00 1.00 H new ATOM 0 HB2 ASP A 34 0.705 -14.982 0.675 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -0.965 -14.794 0.177 1.00 1.00 H new ATOM 518 N ASP A 35 0.621 -12.043 1.224 1.00 1.00 N ATOM 519 CA ASP A 35 0.194 -11.133 2.288 1.00 1.00 C ATOM 520 C ASP A 35 0.654 -9.694 2.125 1.00 1.00 C ATOM 521 O ASP A 35 -0.033 -8.761 2.562 1.00 1.00 O ATOM 522 CB ASP A 35 0.690 -11.679 3.638 1.00 1.00 C ATOM 523 CG ASP A 35 -0.027 -12.941 4.020 1.00 1.00 C ATOM 524 OD1 ASP A 35 -1.051 -13.372 3.439 1.00 1.00 O ATOM 525 OD2 ASP A 35 0.414 -13.551 5.014 1.00 1.00 O ATOM 0 H ASP A 35 1.579 -12.379 1.328 1.00 1.00 H new ATOM 0 HA ASP A 35 -0.894 -11.098 2.237 1.00 1.00 H new ATOM 0 HB2 ASP A 35 1.761 -11.871 3.582 1.00 1.00 H new ATOM 0 HB3 ASP A 35 0.541 -10.927 4.412 1.00 1.00 H new ATOM 530 N TRP A 36 1.829 -9.524 1.550 1.00 1.00 N ATOM 531 CA TRP A 36 2.409 -8.214 1.355 1.00 1.00 C ATOM 532 C TRP A 36 2.599 -8.013 -0.133 1.00 1.00 C ATOM 533 O TRP A 36 3.127 -8.899 -0.809 1.00 1.00 O ATOM 534 CB TRP A 36 3.757 -8.131 2.056 1.00 1.00 C ATOM 535 CG TRP A 36 3.654 -8.232 3.536 1.00 1.00 C ATOM 536 CD1 TRP A 36 3.196 -9.291 4.259 1.00 1.00 C ATOM 537 CD2 TRP A 36 3.966 -7.206 4.470 1.00 1.00 C ATOM 538 NE1 TRP A 36 3.225 -8.987 5.600 1.00 1.00 N ATOM 539 CE2 TRP A 36 3.709 -7.714 5.761 1.00 1.00 C ATOM 540 CE3 TRP A 36 4.498 -5.929 4.359 1.00 1.00 C ATOM 541 CZ2 TRP A 36 3.937 -6.959 6.922 1.00 1.00 C ATOM 542 CZ3 TRP A 36 4.735 -5.203 5.509 1.00 1.00 C ATOM 543 CH2 TRP A 36 4.460 -5.717 6.764 1.00 1.00 C ATOM 0 H TRP A 36 2.406 -10.291 1.206 1.00 1.00 H new ATOM 0 HA TRP A 36 1.756 -7.446 1.769 1.00 1.00 H new ATOM 0 HB2 TRP A 36 4.401 -8.930 1.688 1.00 1.00 H new ATOM 0 HB3 TRP A 36 4.238 -7.188 1.795 1.00 1.00 H new ATOM 0 HD1 TRP A 36 2.860 -10.229 3.842 1.00 1.00 H new ATOM 0 HE1 TRP A 36 2.933 -9.609 6.354 1.00 1.00 H new ATOM 0 HE3 TRP A 36 4.723 -5.510 3.389 1.00 1.00 H new ATOM 0 HZ2 TRP A 36 3.706 -7.351 7.901 1.00 1.00 H new ATOM 0 HZ3 TRP A 36 5.146 -4.208 5.427 1.00 1.00 H new ATOM 0 HH2 TRP A 36 4.666 -5.116 7.637 1.00 1.00 H new ATOM 554 N TRP A 37 2.178 -6.851 -0.632 1.00 1.00 N ATOM 555 CA TRP A 37 2.302 -6.504 -2.020 1.00 1.00 C ATOM 556 C TRP A 37 3.230 -5.313 -2.126 1.00 1.00 C ATOM 557 O TRP A 37 3.400 -4.554 -1.184 1.00 1.00 O ATOM 558 CB TRP A 37 0.965 -6.172 -2.659 1.00 1.00 C ATOM 559 CG TRP A 37 -0.094 -7.225 -2.442 1.00 1.00 C ATOM 560 CD1 TRP A 37 0.109 -8.518 -2.065 1.00 1.00 C ATOM 561 CD2 TRP A 37 -1.512 -7.078 -2.606 1.00 1.00 C ATOM 562 NE1 TRP A 37 -1.089 -9.190 -1.992 1.00 1.00 N ATOM 563 CE2 TRP A 37 -2.100 -8.330 -2.313 1.00 1.00 C ATOM 564 CE3 TRP A 37 -2.339 -6.026 -2.960 1.00 1.00 C ATOM 565 CZ2 TRP A 37 -3.463 -8.547 -2.378 1.00 1.00 C ATOM 566 CZ3 TRP A 37 -3.711 -6.262 -3.037 1.00 1.00 C ATOM 567 CH2 TRP A 37 -4.248 -7.505 -2.735 1.00 1.00 C ATOM 0 H TRP A 37 1.738 -6.126 -0.065 1.00 1.00 H new ATOM 0 HA TRP A 37 2.701 -7.365 -2.556 1.00 1.00 H new ATOM 0 HB2 TRP A 37 0.608 -5.223 -2.259 1.00 1.00 H new ATOM 0 HB3 TRP A 37 1.110 -6.032 -3.730 1.00 1.00 H new ATOM 0 HD1 TRP A 37 1.074 -8.954 -1.853 1.00 1.00 H new ATOM 0 HE1 TRP A 37 -1.204 -10.171 -1.739 1.00 1.00 H new ATOM 0 HE3 TRP A 37 -1.932 -5.048 -3.171 1.00 1.00 H new ATOM 0 HZ2 TRP A 37 -3.887 -9.514 -2.152 1.00 1.00 H new ATOM 0 HZ3 TRP A 37 -4.369 -5.461 -3.338 1.00 1.00 H new ATOM 0 HH2 TRP A 37 -5.318 -7.644 -2.786 1.00 1.00 H new ATOM 578 N LEU A 38 3.841 -5.178 -3.286 1.00 1.00 N ATOM 579 CA LEU A 38 4.731 -4.082 -3.577 1.00 1.00 C ATOM 580 C LEU A 38 4.010 -3.110 -4.521 1.00 1.00 C ATOM 581 O LEU A 38 3.522 -3.531 -5.569 1.00 1.00 O ATOM 582 CB LEU A 38 5.953 -4.609 -4.274 1.00 1.00 C ATOM 583 CG LEU A 38 7.251 -3.819 -4.497 1.00 1.00 C ATOM 584 CD1 LEU A 38 6.957 -2.393 -4.937 1.00 1.00 C ATOM 585 CD2 LEU A 38 8.153 -3.803 -3.295 1.00 1.00 C ATOM 0 H LEU A 38 3.730 -5.835 -4.058 1.00 1.00 H new ATOM 0 HA LEU A 38 5.019 -3.579 -2.654 1.00 1.00 H new ATOM 0 HB2 LEU A 38 6.241 -5.510 -3.733 1.00 1.00 H new ATOM 0 HB3 LEU A 38 5.621 -4.924 -5.263 1.00 1.00 H new ATOM 0 HG LEU A 38 7.782 -4.344 -5.291 1.00 1.00 H new ATOM 0 HD11 LEU A 38 7.895 -1.858 -5.087 1.00 1.00 H new ATOM 0 HD12 LEU A 38 6.395 -2.409 -5.871 1.00 1.00 H new ATOM 0 HD13 LEU A 38 6.371 -1.889 -4.169 1.00 1.00 H new ATOM 0 HD21 LEU A 38 9.051 -3.228 -3.522 1.00 1.00 H new ATOM 0 HD22 LEU A 38 7.631 -3.345 -2.455 1.00 1.00 H new ATOM 0 HD23 LEU A 38 8.432 -4.824 -3.036 1.00 1.00 H new ATOM 597 N GLY A 39 3.976 -1.835 -4.180 1.00 1.00 N ATOM 598 CA GLY A 39 3.348 -0.878 -5.056 1.00 1.00 C ATOM 599 C GLY A 39 4.056 0.456 -5.029 1.00 1.00 C ATOM 600 O GLY A 39 5.194 0.561 -4.565 1.00 1.00 O ATOM 0 H GLY A 39 4.368 -1.449 -3.321 1.00 1.00 H new ATOM 0 HA2 GLY A 39 3.343 -1.266 -6.075 1.00 1.00 H new ATOM 0 HA3 GLY A 39 2.307 -0.743 -4.761 1.00 1.00 H new ATOM 604 N GLU A 40 3.352 1.463 -5.512 1.00 1.00 N ATOM 605 CA GLU A 40 3.839 2.824 -5.588 1.00 1.00 C ATOM 606 C GLU A 40 2.714 3.781 -5.228 1.00 1.00 C ATOM 607 O GLU A 40 1.573 3.591 -5.637 1.00 1.00 O ATOM 608 CB GLU A 40 4.315 3.100 -7.004 1.00 1.00 C ATOM 609 CG GLU A 40 4.873 4.493 -7.220 1.00 1.00 C ATOM 610 CD GLU A 40 5.303 4.779 -8.648 1.00 1.00 C ATOM 611 OE1 GLU A 40 4.869 4.024 -9.563 1.00 1.00 O ATOM 612 OE2 GLU A 40 6.015 5.788 -8.854 1.00 1.00 O ATOM 0 H GLU A 40 2.403 1.352 -5.870 1.00 1.00 H new ATOM 0 HA GLU A 40 4.666 2.964 -4.892 1.00 1.00 H new ATOM 0 HB2 GLU A 40 5.082 2.371 -7.264 1.00 1.00 H new ATOM 0 HB3 GLU A 40 3.482 2.946 -7.690 1.00 1.00 H new ATOM 0 HG2 GLU A 40 4.119 5.223 -6.927 1.00 1.00 H new ATOM 0 HG3 GLU A 40 5.729 4.636 -6.560 1.00 1.00 H new ATOM 619 N LEU A 41 3.032 4.828 -4.465 1.00 1.00 N ATOM 620 CA LEU A 41 2.002 5.785 -4.092 1.00 1.00 C ATOM 621 C LEU A 41 1.636 6.707 -5.234 1.00 1.00 C ATOM 622 O LEU A 41 2.507 7.331 -5.846 1.00 1.00 O ATOM 623 CB LEU A 41 2.414 6.638 -2.912 1.00 1.00 C ATOM 624 CG LEU A 41 2.672 5.913 -1.601 1.00 1.00 C ATOM 625 CD1 LEU A 41 2.913 6.916 -0.470 1.00 1.00 C ATOM 626 CD2 LEU A 41 1.583 4.962 -1.245 1.00 1.00 C ATOM 0 H LEU A 41 3.965 5.028 -4.105 1.00 1.00 H new ATOM 0 HA LEU A 41 1.136 5.181 -3.821 1.00 1.00 H new ATOM 0 HB2 LEU A 41 3.319 7.181 -3.184 1.00 1.00 H new ATOM 0 HB3 LEU A 41 1.636 7.382 -2.742 1.00 1.00 H new ATOM 0 HG LEU A 41 3.573 5.315 -1.741 1.00 1.00 H new ATOM 0 HD11 LEU A 41 3.096 6.378 0.460 1.00 1.00 H new ATOM 0 HD12 LEU A 41 3.779 7.533 -0.709 1.00 1.00 H new ATOM 0 HD13 LEU A 41 2.036 7.552 -0.355 1.00 1.00 H new ATOM 0 HD21 LEU A 41 1.821 4.473 -0.300 1.00 1.00 H new ATOM 0 HD22 LEU A 41 0.643 5.505 -1.146 1.00 1.00 H new ATOM 0 HD23 LEU A 41 1.486 4.210 -2.028 1.00 1.00 H new ATOM 638 N GLU A 42 0.342 6.869 -5.471 1.00 1.00 N ATOM 639 CA GLU A 42 -0.099 7.854 -6.434 1.00 1.00 C ATOM 640 C GLU A 42 0.408 9.248 -6.047 1.00 1.00 C ATOM 641 O GLU A 42 0.757 10.065 -6.910 1.00 1.00 O ATOM 642 CB GLU A 42 -1.640 7.876 -6.457 1.00 1.00 C ATOM 643 CG GLU A 42 -2.206 8.943 -7.374 1.00 1.00 C ATOM 644 CD GLU A 42 -3.658 9.365 -7.092 1.00 1.00 C ATOM 645 OE1 GLU A 42 -4.181 9.144 -5.981 1.00 1.00 O ATOM 646 OE2 GLU A 42 -4.300 9.896 -8.032 1.00 1.00 O ATOM 0 H GLU A 42 -0.404 6.341 -5.018 1.00 1.00 H new ATOM 0 HA GLU A 42 0.296 7.591 -7.415 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -2.007 6.900 -6.775 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -2.010 8.041 -5.445 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -1.571 9.827 -7.308 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -2.145 8.583 -8.401 1.00 1.00 H new ATOM 653 N LYS A 43 0.413 9.557 -4.761 1.00 1.00 N ATOM 654 CA LYS A 43 0.649 10.955 -4.397 1.00 1.00 C ATOM 655 C LYS A 43 2.069 11.439 -4.530 1.00 1.00 C ATOM 656 O LYS A 43 2.298 12.647 -4.631 1.00 1.00 O ATOM 657 CB LYS A 43 0.109 11.248 -2.997 1.00 1.00 C ATOM 658 CG LYS A 43 0.914 10.637 -1.891 1.00 1.00 C ATOM 659 CD LYS A 43 0.159 10.748 -0.553 1.00 1.00 C ATOM 660 CE LYS A 43 0.961 10.247 0.609 1.00 1.00 C ATOM 661 NZ LYS A 43 0.177 10.409 1.857 1.00 1.00 N ATOM 0 H LYS A 43 0.267 8.908 -3.988 1.00 1.00 H new ATOM 0 HA LYS A 43 0.096 11.525 -5.144 1.00 1.00 H new ATOM 0 HB2 LYS A 43 0.073 12.328 -2.852 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -0.916 10.883 -2.931 1.00 1.00 H new ATOM 0 HG2 LYS A 43 1.117 9.590 -2.116 1.00 1.00 H new ATOM 0 HG3 LYS A 43 1.878 11.139 -1.814 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -0.112 11.789 -0.379 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -0.771 10.183 -0.618 1.00 1.00 H new ATOM 0 HE2 LYS A 43 1.218 9.198 0.462 1.00 1.00 H new ATOM 0 HE3 LYS A 43 1.899 10.798 0.682 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 0.825 10.527 2.662 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -0.432 11.248 1.778 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -0.413 9.566 2.008 1.00 1.00 H new ATOM 675 N ASP A 44 3.055 10.539 -4.527 1.00 1.00 N ATOM 676 CA ASP A 44 4.445 10.977 -4.535 1.00 1.00 C ATOM 677 C ASP A 44 5.416 10.098 -5.294 1.00 1.00 C ATOM 678 O ASP A 44 6.595 10.405 -5.307 1.00 1.00 O ATOM 679 CB ASP A 44 4.950 11.215 -3.101 1.00 1.00 C ATOM 680 CG ASP A 44 5.028 9.980 -2.243 1.00 1.00 C ATOM 681 OD1 ASP A 44 4.928 8.832 -2.755 1.00 1.00 O ATOM 682 OD2 ASP A 44 5.194 10.092 -1.001 1.00 1.00 O ATOM 0 H ASP A 44 2.919 9.528 -4.519 1.00 1.00 H new ATOM 0 HA ASP A 44 4.425 11.911 -5.096 1.00 1.00 H new ATOM 0 HB2 ASP A 44 5.940 11.668 -3.151 1.00 1.00 H new ATOM 0 HB3 ASP A 44 4.293 11.936 -2.615 1.00 1.00 H new ATOM 687 N GLY A 45 4.968 8.996 -5.887 1.00 1.00 N ATOM 688 CA GLY A 45 5.889 8.156 -6.632 1.00 1.00 C ATOM 689 C GLY A 45 6.772 7.258 -5.794 1.00 1.00 C ATOM 690 O GLY A 45 7.585 6.543 -6.359 1.00 1.00 O ATOM 0 H GLY A 45 4.001 8.673 -5.867 1.00 1.00 H new ATOM 0 HA2 GLY A 45 5.313 7.534 -7.317 1.00 1.00 H new ATOM 0 HA3 GLY A 45 6.526 8.797 -7.242 1.00 1.00 H new ATOM 694 N SER A 46 6.640 7.257 -4.470 1.00 1.00 N ATOM 695 CA SER A 46 7.456 6.370 -3.623 1.00 1.00 C ATOM 696 C SER A 46 6.995 4.931 -3.841 1.00 1.00 C ATOM 697 O SER A 46 5.852 4.688 -4.170 1.00 1.00 O ATOM 698 CB SER A 46 7.387 6.757 -2.148 1.00 1.00 C ATOM 699 OG SER A 46 6.101 6.703 -1.616 1.00 1.00 O ATOM 0 H SER A 46 5.986 7.850 -3.959 1.00 1.00 H new ATOM 0 HA SER A 46 8.502 6.471 -3.912 1.00 1.00 H new ATOM 0 HB2 SER A 46 8.036 6.093 -1.576 1.00 1.00 H new ATOM 0 HB3 SER A 46 7.779 7.767 -2.027 1.00 1.00 H new ATOM 0 HG SER A 46 5.580 7.466 -1.942 1.00 1.00 H new ATOM 705 N LYS A 47 7.909 3.978 -3.677 1.00 1.00 N ATOM 706 CA LYS A 47 7.610 2.578 -3.921 1.00 1.00 C ATOM 707 C LYS A 47 8.059 1.764 -2.747 1.00 1.00 C ATOM 708 O LYS A 47 9.032 2.108 -2.071 1.00 1.00 O ATOM 709 CB LYS A 47 8.337 2.071 -5.166 1.00 1.00 C ATOM 710 CG LYS A 47 7.927 2.790 -6.424 1.00 1.00 C ATOM 711 CD LYS A 47 8.445 2.132 -7.680 1.00 1.00 C ATOM 712 CE LYS A 47 8.144 3.003 -8.894 1.00 1.00 C ATOM 713 NZ LYS A 47 8.195 2.274 -10.203 1.00 1.00 N ATOM 0 H LYS A 47 8.867 4.156 -3.374 1.00 1.00 H new ATOM 0 HA LYS A 47 6.535 2.481 -4.071 1.00 1.00 H new ATOM 0 HB2 LYS A 47 9.412 2.185 -5.023 1.00 1.00 H new ATOM 0 HB3 LYS A 47 8.142 1.005 -5.284 1.00 1.00 H new ATOM 0 HG2 LYS A 47 6.839 2.838 -6.469 1.00 1.00 H new ATOM 0 HG3 LYS A 47 8.290 3.817 -6.383 1.00 1.00 H new ATOM 0 HD2 LYS A 47 9.520 1.970 -7.597 1.00 1.00 H new ATOM 0 HD3 LYS A 47 7.983 1.152 -7.803 1.00 1.00 H new ATOM 0 HE2 LYS A 47 7.154 3.443 -8.775 1.00 1.00 H new ATOM 0 HE3 LYS A 47 8.858 3.827 -8.922 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 7.979 2.935 -10.977 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 9.146 1.876 -10.342 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 7.495 1.505 -10.199 1.00 1.00 H new ATOM 727 N GLY A 48 7.375 0.660 -2.490 1.00 1.00 N ATOM 728 CA GLY A 48 7.746 -0.196 -1.387 1.00 1.00 C ATOM 729 C GLY A 48 6.677 -1.200 -1.041 1.00 1.00 C ATOM 730 O GLY A 48 5.572 -1.189 -1.597 1.00 1.00 O ATOM 0 H GLY A 48 6.568 0.342 -3.027 1.00 1.00 H new ATOM 0 HA2 GLY A 48 8.666 -0.724 -1.636 1.00 1.00 H new ATOM 0 HA3 GLY A 48 7.958 0.418 -0.512 1.00 1.00 H new ATOM 734 N LEU A 49 7.014 -2.054 -0.093 1.00 1.00 N ATOM 735 CA LEU A 49 6.132 -3.084 0.391 1.00 1.00 C ATOM 736 C LEU A 49 5.021 -2.511 1.248 1.00 1.00 C ATOM 737 O LEU A 49 5.211 -1.530 1.984 1.00 1.00 O ATOM 738 CB LEU A 49 6.928 -4.071 1.242 1.00 1.00 C ATOM 739 CG LEU A 49 7.927 -4.949 0.514 1.00 1.00 C ATOM 740 CD1 LEU A 49 8.823 -5.618 1.518 1.00 1.00 C ATOM 741 CD2 LEU A 49 7.196 -5.987 -0.329 1.00 1.00 C ATOM 0 H LEU A 49 7.925 -2.046 0.366 1.00 1.00 H new ATOM 0 HA LEU A 49 5.691 -3.576 -0.475 1.00 1.00 H new ATOM 0 HB2 LEU A 49 7.464 -3.507 2.005 1.00 1.00 H new ATOM 0 HB3 LEU A 49 6.222 -4.718 1.762 1.00 1.00 H new ATOM 0 HG LEU A 49 8.534 -4.336 -0.152 1.00 1.00 H new ATOM 0 HD11 LEU A 49 9.543 -6.250 0.999 1.00 1.00 H new ATOM 0 HD12 LEU A 49 9.354 -4.860 2.093 1.00 1.00 H new ATOM 0 HD13 LEU A 49 8.222 -6.230 2.191 1.00 1.00 H new ATOM 0 HD21 LEU A 49 7.923 -6.612 -0.847 1.00 1.00 H new ATOM 0 HD22 LEU A 49 6.577 -6.610 0.317 1.00 1.00 H new ATOM 0 HD23 LEU A 49 6.564 -5.483 -1.060 1.00 1.00 H new ATOM 753 N PHE A 50 3.861 -3.156 1.196 1.00 1.00 N ATOM 754 CA PHE A 50 2.740 -2.726 1.997 1.00 1.00 C ATOM 755 C PHE A 50 1.885 -3.940 2.293 1.00 1.00 C ATOM 756 O PHE A 50 1.653 -4.764 1.390 1.00 1.00 O ATOM 757 CB PHE A 50 1.927 -1.641 1.288 1.00 1.00 C ATOM 758 CG PHE A 50 1.246 -2.104 0.036 1.00 1.00 C ATOM 759 CD1 PHE A 50 -0.045 -2.603 0.045 1.00 1.00 C ATOM 760 CD2 PHE A 50 1.873 -1.977 -1.182 1.00 1.00 C ATOM 761 CE1 PHE A 50 -0.659 -2.988 -1.132 1.00 1.00 C ATOM 762 CE2 PHE A 50 1.256 -2.360 -2.344 1.00 1.00 C ATOM 763 CZ PHE A 50 -0.006 -2.862 -2.329 1.00 1.00 C ATOM 0 H PHE A 50 3.681 -3.971 0.610 1.00 1.00 H new ATOM 0 HA PHE A 50 3.101 -2.285 2.926 1.00 1.00 H new ATOM 0 HB2 PHE A 50 1.175 -1.258 1.977 1.00 1.00 H new ATOM 0 HB3 PHE A 50 2.588 -0.809 1.043 1.00 1.00 H new ATOM 0 HD1 PHE A 50 -0.578 -2.692 0.980 1.00 1.00 H new ATOM 0 HD2 PHE A 50 2.871 -1.567 -1.223 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -1.661 -3.391 -1.107 1.00 1.00 H new ATOM 0 HE2 PHE A 50 1.780 -2.261 -3.283 1.00 1.00 H new ATOM 0 HZ PHE A 50 -0.488 -3.158 -3.249 1.00 1.00 H new ATOM 773 N PRO A 51 1.424 -4.088 3.536 1.00 1.00 N ATOM 774 CA PRO A 51 0.593 -5.239 3.878 1.00 1.00 C ATOM 775 C PRO A 51 -0.702 -5.154 3.102 1.00 1.00 C ATOM 776 O PRO A 51 -1.367 -4.128 3.038 1.00 1.00 O ATOM 777 CB PRO A 51 0.379 -5.089 5.395 1.00 1.00 C ATOM 778 CG PRO A 51 1.440 -4.173 5.870 1.00 1.00 C ATOM 779 CD PRO A 51 1.691 -3.244 4.717 1.00 1.00 C ATOM 0 HA PRO A 51 1.031 -6.207 3.633 1.00 1.00 H new ATOM 0 HB2 PRO A 51 -0.610 -4.685 5.611 1.00 1.00 H new ATOM 0 HB3 PRO A 51 0.445 -6.055 5.895 1.00 1.00 H new ATOM 0 HG2 PRO A 51 1.122 -3.625 6.757 1.00 1.00 H new ATOM 0 HG3 PRO A 51 2.343 -4.720 6.141 1.00 1.00 H new ATOM 0 HD2 PRO A 51 1.032 -2.376 4.749 1.00 1.00 H new ATOM 0 HD3 PRO A 51 2.714 -2.867 4.719 1.00 1.00 H new ATOM 787 N SER A 52 -1.062 -6.260 2.458 1.00 1.00 N ATOM 788 CA SER A 52 -2.253 -6.281 1.622 1.00 1.00 C ATOM 789 C SER A 52 -3.564 -6.136 2.390 1.00 1.00 C ATOM 790 O SER A 52 -4.597 -5.797 1.804 1.00 1.00 O ATOM 791 CB SER A 52 -2.266 -7.562 0.807 1.00 1.00 C ATOM 792 OG SER A 52 -2.466 -8.659 1.658 1.00 1.00 O ATOM 0 H SER A 52 -0.552 -7.142 2.499 1.00 1.00 H new ATOM 0 HA SER A 52 -2.194 -5.405 0.976 1.00 1.00 H new ATOM 0 HB2 SER A 52 -3.057 -7.521 0.058 1.00 1.00 H new ATOM 0 HB3 SER A 52 -1.324 -7.673 0.270 1.00 1.00 H new ATOM 0 HG SER A 52 -1.742 -8.698 2.317 1.00 1.00 H new ATOM 798 N ASN A 53 -3.549 -6.363 3.700 1.00 1.00 N ATOM 799 CA ASN A 53 -4.778 -6.247 4.464 1.00 1.00 C ATOM 800 C ASN A 53 -5.181 -4.787 4.760 1.00 1.00 C ATOM 801 O ASN A 53 -6.231 -4.530 5.325 1.00 1.00 O ATOM 802 CB ASN A 53 -4.700 -7.096 5.769 1.00 1.00 C ATOM 803 CG ASN A 53 -3.603 -6.573 6.788 1.00 1.00 C ATOM 804 OD1 ASN A 53 -3.018 -5.534 6.572 1.00 1.00 O ATOM 805 ND2 ASN A 53 -3.363 -7.306 7.884 1.00 1.00 N ATOM 0 H ASN A 53 -2.722 -6.621 4.239 1.00 1.00 H new ATOM 0 HA ASN A 53 -5.573 -6.649 3.835 1.00 1.00 H new ATOM 0 HB2 ASN A 53 -5.674 -7.089 6.258 1.00 1.00 H new ATOM 0 HB3 ASN A 53 -4.481 -8.132 5.509 1.00 1.00 H new ATOM 0 HD21 ASN A 53 -2.671 -6.993 8.565 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -3.872 -8.176 8.037 1.00 1.00 H new ATOM 812 N TYR A 54 -4.370 -3.803 4.372 1.00 1.00 N ATOM 813 CA TYR A 54 -4.729 -2.411 4.618 1.00 1.00 C ATOM 814 C TYR A 54 -5.298 -1.702 3.385 1.00 1.00 C ATOM 815 O TYR A 54 -5.496 -0.499 3.442 1.00 1.00 O ATOM 816 CB TYR A 54 -3.556 -1.598 5.183 1.00 1.00 C ATOM 817 CG TYR A 54 -3.107 -2.075 6.528 1.00 1.00 C ATOM 818 CD1 TYR A 54 -3.974 -2.084 7.617 1.00 1.00 C ATOM 819 CD2 TYR A 54 -1.824 -2.505 6.728 1.00 1.00 C ATOM 820 CE1 TYR A 54 -3.553 -2.504 8.860 1.00 1.00 C ATOM 821 CE2 TYR A 54 -1.399 -2.928 7.966 1.00 1.00 C ATOM 822 CZ TYR A 54 -2.269 -2.920 9.031 1.00 1.00 C ATOM 823 OH TYR A 54 -1.815 -3.334 10.269 1.00 1.00 O ATOM 0 H TYR A 54 -3.479 -3.941 3.896 1.00 1.00 H new ATOM 0 HA TYR A 54 -5.519 -2.458 5.367 1.00 1.00 H new ATOM 0 HB2 TYR A 54 -2.718 -1.648 4.488 1.00 1.00 H new ATOM 0 HB3 TYR A 54 -3.848 -0.550 5.254 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -4.995 -1.756 7.485 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -1.132 -2.513 5.899 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -4.239 -2.503 9.694 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -0.382 -3.266 8.102 1.00 1.00 H new ATOM 0 HH TYR A 54 -0.873 -3.596 10.201 1.00 1.00 H new ATOM 833 N VAL A 55 -5.522 -2.417 2.288 1.00 1.00 N ATOM 834 CA VAL A 55 -6.019 -1.796 1.059 1.00 1.00 C ATOM 835 C VAL A 55 -7.075 -2.652 0.386 1.00 1.00 C ATOM 836 O VAL A 55 -7.189 -3.850 0.636 1.00 1.00 O ATOM 837 CB VAL A 55 -4.871 -1.523 0.028 1.00 1.00 C ATOM 838 CG1 VAL A 55 -3.823 -0.571 0.595 1.00 1.00 C ATOM 839 CG2 VAL A 55 -4.222 -2.804 -0.404 1.00 1.00 C ATOM 0 H VAL A 55 -5.369 -3.423 2.221 1.00 1.00 H new ATOM 0 HA VAL A 55 -6.458 -0.846 1.365 1.00 1.00 H new ATOM 0 HB VAL A 55 -5.325 -1.049 -0.842 1.00 1.00 H new ATOM 0 HG11 VAL A 55 -3.043 -0.405 -0.148 1.00 1.00 H new ATOM 0 HG12 VAL A 55 -4.293 0.380 0.846 1.00 1.00 H new ATOM 0 HG13 VAL A 55 -3.383 -1.007 1.492 1.00 1.00 H new ATOM 0 HG21 VAL A 55 -3.429 -2.587 -1.119 1.00 1.00 H new ATOM 0 HG22 VAL A 55 -3.799 -3.309 0.465 1.00 1.00 H new ATOM 0 HG23 VAL A 55 -4.966 -3.449 -0.872 1.00 1.00 H new ATOM 849 N SER A 56 -7.834 -2.025 -0.497 1.00 1.00 N ATOM 850 CA SER A 56 -8.852 -2.675 -1.292 1.00 1.00 C ATOM 851 C SER A 56 -8.690 -2.234 -2.748 1.00 1.00 C ATOM 852 O SER A 56 -8.547 -1.051 -2.986 1.00 1.00 O ATOM 853 CB SER A 56 -10.215 -2.268 -0.768 1.00 1.00 C ATOM 854 OG SER A 56 -11.219 -2.815 -1.574 1.00 1.00 O ATOM 0 H SER A 56 -7.754 -1.025 -0.682 1.00 1.00 H new ATOM 0 HA SER A 56 -8.756 -3.759 -1.231 1.00 1.00 H new ATOM 0 HB2 SER A 56 -10.336 -2.610 0.260 1.00 1.00 H new ATOM 0 HB3 SER A 56 -10.299 -1.181 -0.755 1.00 1.00 H new ATOM 0 HG SER A 56 -12.097 -2.549 -1.229 1.00 1.00 H new ATOM 860 N LEU A 57 -8.668 -3.179 -3.686 1.00 1.00 N ATOM 861 CA LEU A 57 -8.455 -2.831 -5.101 1.00 1.00 C ATOM 862 C LEU A 57 -9.542 -1.886 -5.603 1.00 1.00 C ATOM 863 O LEU A 57 -10.712 -1.982 -5.227 1.00 1.00 O ATOM 864 CB LEU A 57 -8.374 -4.060 -5.992 1.00 1.00 C ATOM 865 CG LEU A 57 -7.296 -5.066 -5.625 1.00 1.00 C ATOM 866 CD1 LEU A 57 -7.183 -6.094 -6.746 1.00 1.00 C ATOM 867 CD2 LEU A 57 -5.953 -4.445 -5.397 1.00 1.00 C ATOM 0 H LEU A 57 -8.792 -4.175 -3.504 1.00 1.00 H new ATOM 0 HA LEU A 57 -7.493 -2.322 -5.156 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -9.340 -4.565 -5.972 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -8.206 -3.733 -7.018 1.00 1.00 H new ATOM 0 HG LEU A 57 -7.595 -5.526 -4.683 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -6.412 -6.823 -6.495 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -8.138 -6.604 -6.869 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -6.918 -5.591 -7.676 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -5.232 -5.221 -5.139 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -5.629 -3.936 -6.305 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -6.019 -3.725 -4.581 1.00 1.00 H new ATOM 879 N GLY A 58 -9.130 -0.937 -6.433 1.00 1.00 N ATOM 880 CA GLY A 58 -10.061 0.015 -7.031 1.00 1.00 C ATOM 881 C GLY A 58 -10.581 1.045 -6.054 1.00 1.00 C ATOM 882 O GLY A 58 -10.014 1.230 -4.960 1.00 1.00 O ATOM 0 H GLY A 58 -8.157 -0.805 -6.709 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -9.565 0.526 -7.856 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -10.904 -0.531 -7.455 1.00 1.00 H new ATOM 886 N ASN A 59 -11.660 1.724 -6.464 1.00 1.00 N ATOM 887 CA ASN A 59 -12.271 2.802 -5.690 1.00 1.00 C ATOM 888 C ASN A 59 -13.203 2.258 -4.620 1.00 1.00 C ATOM 889 O ASN A 59 -14.005 3.061 -4.085 1.00 1.00 O ATOM 890 CB ASN A 59 -12.994 3.807 -6.622 1.00 1.00 C ATOM 891 CG ASN A 59 -12.391 5.200 -6.564 1.00 1.00 C ATOM 892 OD1 ASN A 59 -11.872 5.642 -5.544 1.00 1.00 O ATOM 893 ND2 ASN A 59 -12.457 5.902 -7.690 1.00 1.00 N ATOM 894 OXT ASN A 59 -13.155 1.050 -4.354 1.00 1.00 O ATOM 0 H ASN A 59 -12.133 1.537 -7.348 1.00 1.00 H new ATOM 0 HA ASN A 59 -11.475 3.340 -5.176 1.00 1.00 H new ATOM 0 HB2 ASN A 59 -12.952 3.440 -7.647 1.00 1.00 H new ATOM 0 HB3 ASN A 59 -14.047 3.860 -6.345 1.00 1.00 H new ATOM 0 HD21 ASN A 59 -12.068 6.844 -7.727 1.00 1.00 H new ATOM 0 HD22 ASN A 59 -12.897 5.499 -8.517 1.00 1.00 H new TER 901 ASN A 59