USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 417 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 5 THR OG1 : rot 95:sc= 0.983 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -161:sc= 0.372 USER MOD Single : A 16 ASN : amide:sc= -0.201 K(o=-0.2,f=-2.3) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.749 USER MOD Single : A 23 ASN : amide:sc= -0.0651 K(o=-0.065,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+ 180:sc= 1.24 (180deg=1.24) USER MOD Single : A 46 SER OG : rot -73:sc= 1.3 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -100:sc= 2.2 USER MOD Single : A 53 ASN : amide:sc= -0.189 K(o=-0.19,f=-1.1) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 22:sc= 0.243 USER MOD Single : A 59 ASN : amide:sc= -0.157 K(o=-0.16,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 11 N PRO A 2 -3.037 -3.678 -11.065 1.00 1.00 N ATOM 12 CA PRO A 2 -4.173 -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 -4.147 -4.827 -9.305 1.00 1.00 C ATOM 17 CD PRO A 2 -2.965 -4.899 -10.245 1.00 1.00 C ATOM 0 HA PRO A 2 -4.669 -2.300 -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 -3.845 -4.475 -8.318 1.00 1.00 H new ATOM 0 HG3 PRO A 2 -4.602 -5.808 -9.168 1.00 1.00 H new ATOM 0 HD2 PRO A 2 -2.027 -4.945 -9.692 1.00 1.00 H new ATOM 0 HD3 PRO A 2 -3.013 -5.793 -10.867 1.00 1.00 H new ATOM 25 N TRP A 3 -4.574 -0.902 -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 -6.382 -0.938 -7.275 1.00 1.00 O ATOM 29 CB TRP A 3 -4.449 1.484 -8.682 1.00 1.00 C ATOM 30 CG TRP A 3 -5.745 1.904 -9.343 1.00 1.00 C ATOM 31 CD1 TRP A 3 -6.035 1.854 -10.673 1.00 1.00 C ATOM 32 CD2 TRP A 3 -6.882 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 -9.719 1.00 1.00 C ATOM 35 CE3 TRP A 3 -7.186 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 -8.413 3.415 -7.145 1.00 1.00 C ATOM 38 CH2 TRP A 3 -9.333 3.653 -8.159 1.00 1.00 C ATOM 0 H TRP A 3 -5.464 -0.783 -9.765 1.00 1.00 H new ATOM 0 HA TRP A 3 -3.380 -0.107 -7.778 1.00 1.00 H new ATOM 0 HB2 TRP A 3 -4.268 2.144 -7.833 1.00 1.00 H new ATOM 0 HB3 TRP A 3 -3.636 1.645 -9.390 1.00 1.00 H new ATOM 0 HD1 TRP A 3 -5.375 1.471 -11.437 1.00 1.00 H new ATOM 0 HE1 TRP A 3 -7.742 2.420 -11.807 1.00 1.00 H new ATOM 0 HE3 TRP A 3 -6.477 2.670 -6.606 1.00 1.00 H new ATOM 0 HZ2 TRP A 3 -9.792 3.522 -10.225 1.00 1.00 H new ATOM 0 HZ3 TRP A 3 -8.665 3.686 -6.130 1.00 1.00 H new ATOM 0 HH2 TRP A 3 -10.284 4.101 -7.911 1.00 1.00 H new ATOM 49 N ALA A 4 -5.147 0.344 -5.927 1.00 1.00 N ATOM 50 CA ALA A 4 -5.972 0.142 -4.759 1.00 1.00 C ATOM 51 C ALA A 4 -6.084 1.406 -3.932 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 -5.359 -0.971 -3.903 1.00 1.00 C ATOM 0 H ALA A 4 -4.355 0.968 -5.772 1.00 1.00 H new ATOM 0 HA ALA A 4 -6.973 -0.135 -5.089 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -5.975 -1.131 -3.018 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -5.312 -1.892 -4.484 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -4.353 -0.683 -3.597 1.00 1.00 H new ATOM 59 N THR A 5 -7.061 1.416 -3.044 1.00 1.00 N ATOM 60 CA THR A 5 -7.317 2.532 -2.143 1.00 1.00 C ATOM 61 C THR A 5 -7.139 2.038 -0.712 1.00 1.00 C ATOM 62 O THR A 5 -7.701 1.017 -0.326 1.00 1.00 O ATOM 63 CB THR A 5 -8.750 3.062 -2.321 1.00 1.00 C ATOM 64 OG1 THR A 5 -8.914 3.494 -3.680 1.00 1.00 O ATOM 65 CG2 THR A 5 -8.995 4.269 -1.443 1.00 1.00 C ATOM 0 H THR A 5 -7.711 0.639 -2.924 1.00 1.00 H new ATOM 0 HA THR A 5 -6.622 3.342 -2.365 1.00 1.00 H new ATOM 0 HB THR A 5 -9.443 2.264 -2.056 1.00 1.00 H new ATOM 0 HG1 THR A 5 -9.309 2.769 -4.208 1.00 1.00 H new ATOM 0 HG21 THR A 5 -10.015 4.624 -1.588 1.00 1.00 H new ATOM 0 HG22 THR A 5 -8.852 3.994 -0.398 1.00 1.00 H new ATOM 0 HG23 THR A 5 -8.295 5.061 -1.709 1.00 1.00 H new ATOM 73 N ALA A 6 -6.311 2.730 0.056 1.00 1.00 N ATOM 74 CA ALA A 6 -6.077 2.342 1.434 1.00 1.00 C ATOM 75 C ALA A 6 -7.330 2.547 2.262 1.00 1.00 C ATOM 76 O ALA A 6 -8.006 3.576 2.183 1.00 1.00 O ATOM 77 CB ALA A 6 -4.948 3.181 2.009 1.00 1.00 C ATOM 0 H ALA A 6 -5.795 3.555 -0.250 1.00 1.00 H new ATOM 0 HA ALA A 6 -5.806 1.287 1.462 1.00 1.00 H new ATOM 0 HB1 ALA A 6 -4.770 2.891 3.045 1.00 1.00 H new ATOM 0 HB2 ALA A 6 -4.041 3.019 1.426 1.00 1.00 H new ATOM 0 HB3 ALA A 6 -5.222 4.235 1.969 1.00 1.00 H new ATOM 83 N GLU A 7 -7.632 1.548 3.082 1.00 1.00 N ATOM 84 CA GLU A 7 -8.801 1.619 3.952 1.00 1.00 C ATOM 85 C GLU A 7 -8.413 1.957 5.385 1.00 1.00 C ATOM 86 O GLU A 7 -9.266 2.395 6.159 1.00 1.00 O ATOM 87 CB GLU A 7 -9.498 0.273 3.953 1.00 1.00 C ATOM 88 CG GLU A 7 -10.041 -0.148 2.600 1.00 1.00 C ATOM 89 CD GLU A 7 -11.048 0.843 2.051 1.00 1.00 C ATOM 90 OE1 GLU A 7 -12.030 1.145 2.760 1.00 1.00 O ATOM 91 OE2 GLU A 7 -10.843 1.347 0.917 1.00 1.00 O ATOM 0 H GLU A 7 -7.091 0.687 3.164 1.00 1.00 H new ATOM 0 HA GLU A 7 -9.456 2.404 3.573 1.00 1.00 H new ATOM 0 HB2 GLU A 7 -8.798 -0.486 4.303 1.00 1.00 H new ATOM 0 HB3 GLU A 7 -10.320 0.303 4.668 1.00 1.00 H new ATOM 0 HG2 GLU A 7 -9.215 -0.252 1.896 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -10.510 -1.128 2.688 1.00 1.00 H new ATOM 98 N TYR A 8 -7.143 1.744 5.737 1.00 1.00 N ATOM 99 CA TYR A 8 -6.641 2.004 7.083 1.00 1.00 C ATOM 100 C TYR A 8 -5.287 2.655 6.924 1.00 1.00 C ATOM 101 O TYR A 8 -4.554 2.323 5.992 1.00 1.00 O ATOM 102 CB TYR A 8 -6.490 0.699 7.890 1.00 1.00 C ATOM 103 CG TYR A 8 -7.773 -0.085 7.997 1.00 1.00 C ATOM 104 CD1 TYR A 8 -8.729 0.310 8.907 1.00 1.00 C ATOM 105 CD2 TYR A 8 -8.064 -1.154 7.156 1.00 1.00 C ATOM 106 CE1 TYR A 8 -9.935 -0.354 9.042 1.00 1.00 C ATOM 107 CE2 TYR A 8 -9.294 -1.825 7.265 1.00 1.00 C ATOM 108 CZ TYR A 8 -10.217 -1.395 8.211 1.00 1.00 C ATOM 109 OH TYR A 8 -11.434 -2.047 8.366 1.00 1.00 O ATOM 0 H TYR A 8 -6.436 1.386 5.095 1.00 1.00 H new ATOM 0 HA TYR A 8 -7.340 2.642 7.624 1.00 1.00 H new ATOM 0 HB2 TYR A 8 -5.729 0.075 7.421 1.00 1.00 H new ATOM 0 HB3 TYR A 8 -6.133 0.938 8.892 1.00 1.00 H new ATOM 0 HD1 TYR A 8 -8.530 1.166 9.535 1.00 1.00 H new ATOM 0 HD2 TYR A 8 -7.342 -1.469 6.417 1.00 1.00 H new ATOM 0 HE1 TYR A 8 -10.644 -0.050 9.798 1.00 1.00 H new ATOM 0 HE2 TYR A 8 -9.519 -2.663 6.622 1.00 1.00 H new ATOM 0 HH TYR A 8 -11.505 -2.769 7.707 1.00 1.00 H new ATOM 119 N ASP A 9 -4.919 3.520 7.849 1.00 1.00 N ATOM 120 CA ASP A 9 -3.608 4.145 7.839 1.00 1.00 C ATOM 121 C ASP A 9 -2.550 3.076 8.106 1.00 1.00 C ATOM 122 O ASP A 9 -2.703 2.295 9.058 1.00 1.00 O ATOM 123 CB ASP A 9 -3.445 5.180 8.975 1.00 1.00 C ATOM 124 CG ASP A 9 -2.131 5.906 9.002 1.00 1.00 C ATOM 125 OD1 ASP A 9 -1.190 5.605 8.246 1.00 1.00 O ATOM 126 OD2 ASP A 9 -2.002 6.850 9.819 1.00 1.00 O ATOM 0 H ASP A 9 -5.515 3.809 8.625 1.00 1.00 H new ATOM 0 HA ASP A 9 -3.497 4.632 6.870 1.00 1.00 H new ATOM 0 HB2 ASP A 9 -4.245 5.915 8.891 1.00 1.00 H new ATOM 0 HB3 ASP A 9 -3.579 4.671 9.929 1.00 1.00 H new ATOM 131 N TYR A 10 -1.478 3.056 7.324 1.00 1.00 N ATOM 132 CA TYR A 10 -0.385 2.111 7.528 1.00 1.00 C ATOM 133 C TYR A 10 0.898 2.898 7.580 1.00 1.00 C ATOM 134 O TYR A 10 1.204 3.667 6.659 1.00 1.00 O ATOM 135 CB TYR A 10 -0.270 1.037 6.438 1.00 1.00 C ATOM 136 CG TYR A 10 0.967 0.203 6.667 1.00 1.00 C ATOM 137 CD1 TYR A 10 0.978 -0.776 7.640 1.00 1.00 C ATOM 138 CD2 TYR A 10 2.153 0.449 5.995 1.00 1.00 C ATOM 139 CE1 TYR A 10 2.105 -1.489 7.942 1.00 1.00 C ATOM 140 CE2 TYR A 10 3.294 -0.278 6.281 1.00 1.00 C ATOM 141 CZ TYR A 10 3.267 -1.228 7.252 1.00 1.00 C ATOM 142 OH TYR A 10 4.395 -1.959 7.599 1.00 1.00 O ATOM 0 H TYR A 10 -1.341 3.689 6.536 1.00 1.00 H new ATOM 0 HA TYR A 10 -0.587 1.576 8.456 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -1.155 0.401 6.447 1.00 1.00 H new ATOM 0 HB3 TYR A 10 -0.226 1.507 5.455 1.00 1.00 H new ATOM 0 HD1 TYR A 10 0.067 -0.986 8.180 1.00 1.00 H new ATOM 0 HD2 TYR A 10 2.187 1.218 5.238 1.00 1.00 H new ATOM 0 HE1 TYR A 10 2.084 -2.247 8.711 1.00 1.00 H new ATOM 0 HE2 TYR A 10 4.206 -0.091 5.733 1.00 1.00 H new ATOM 0 HH TYR A 10 5.197 -1.495 7.279 1.00 1.00 H new ATOM 152 N ASP A 11 1.614 2.730 8.677 1.00 1.00 N ATOM 153 CA ASP A 11 2.877 3.416 8.876 1.00 1.00 C ATOM 154 C ASP A 11 4.043 2.477 8.643 1.00 1.00 C ATOM 155 O ASP A 11 4.181 1.474 9.353 1.00 1.00 O ATOM 156 CB ASP A 11 2.971 3.931 10.310 1.00 1.00 C ATOM 157 CG ASP A 11 2.006 5.053 10.609 1.00 1.00 C ATOM 158 OD1 ASP A 11 1.425 5.624 9.682 1.00 1.00 O ATOM 159 OD2 ASP A 11 1.821 5.453 11.778 1.00 1.00 O ATOM 0 H ASP A 11 1.340 2.121 9.448 1.00 1.00 H new ATOM 0 HA ASP A 11 2.920 4.242 8.166 1.00 1.00 H new ATOM 0 HB2 ASP A 11 2.782 3.106 10.997 1.00 1.00 H new ATOM 0 HB3 ASP A 11 3.988 4.276 10.498 1.00 1.00 H new ATOM 164 N ALA A 12 4.893 2.782 7.682 1.00 1.00 N ATOM 165 CA ALA A 12 6.038 1.923 7.451 1.00 1.00 C ATOM 166 C ALA A 12 6.950 1.895 8.664 1.00 1.00 C ATOM 167 O ALA A 12 7.310 2.923 9.216 1.00 1.00 O ATOM 168 CB ALA A 12 6.839 2.421 6.272 1.00 1.00 C ATOM 0 H ALA A 12 4.818 3.592 7.066 1.00 1.00 H new ATOM 0 HA ALA A 12 5.659 0.920 7.254 1.00 1.00 H new ATOM 0 HB1 ALA A 12 7.695 1.766 6.111 1.00 1.00 H new ATOM 0 HB2 ALA A 12 6.211 2.424 5.381 1.00 1.00 H new ATOM 0 HB3 ALA A 12 7.189 3.434 6.472 1.00 1.00 H new ATOM 174 N ALA A 13 7.394 0.697 9.008 1.00 1.00 N ATOM 175 CA ALA A 13 8.343 0.494 10.090 1.00 1.00 C ATOM 176 C ALA A 13 9.717 0.161 9.532 1.00 1.00 C ATOM 177 O ALA A 13 10.658 -0.038 10.288 1.00 1.00 O ATOM 178 CB ALA A 13 7.875 -0.627 11.021 1.00 1.00 C ATOM 0 H ALA A 13 7.106 -0.164 8.543 1.00 1.00 H new ATOM 0 HA ALA A 13 8.405 1.419 10.663 1.00 1.00 H new ATOM 0 HB1 ALA A 13 8.601 -0.761 11.823 1.00 1.00 H new ATOM 0 HB2 ALA A 13 6.907 -0.365 11.448 1.00 1.00 H new ATOM 0 HB3 ALA A 13 7.783 -1.555 10.456 1.00 1.00 H new ATOM 184 N GLU A 14 9.832 0.042 8.212 1.00 1.00 N ATOM 185 CA GLU A 14 11.094 -0.312 7.576 1.00 1.00 C ATOM 186 C GLU A 14 11.325 0.634 6.420 1.00 1.00 C ATOM 187 O GLU A 14 10.369 1.202 5.878 1.00 1.00 O ATOM 188 CB GLU A 14 11.101 -1.759 7.041 1.00 1.00 C ATOM 189 CG GLU A 14 11.099 -2.846 8.081 1.00 1.00 C ATOM 190 CD GLU A 14 11.016 -4.261 7.513 1.00 1.00 C ATOM 191 OE1 GLU A 14 10.953 -4.382 6.276 1.00 1.00 O ATOM 192 OE2 GLU A 14 11.034 -5.230 8.300 1.00 1.00 O ATOM 0 H GLU A 14 9.061 0.187 7.560 1.00 1.00 H new ATOM 0 HA GLU A 14 11.881 -0.235 8.326 1.00 1.00 H new ATOM 0 HB2 GLU A 14 10.228 -1.893 6.402 1.00 1.00 H new ATOM 0 HB3 GLU A 14 11.981 -1.888 6.411 1.00 1.00 H new ATOM 0 HG2 GLU A 14 12.005 -2.761 8.680 1.00 1.00 H new ATOM 0 HG3 GLU A 14 10.256 -2.687 8.754 1.00 1.00 H new ATOM 199 N ASP A 15 12.568 0.731 5.954 1.00 1.00 N ATOM 200 CA ASP A 15 12.898 1.593 4.835 1.00 1.00 C ATOM 201 C ASP A 15 12.250 1.178 3.528 1.00 1.00 C ATOM 202 O ASP A 15 11.888 2.037 2.738 1.00 1.00 O ATOM 203 CB ASP A 15 14.402 1.654 4.615 1.00 1.00 C ATOM 204 CG ASP A 15 15.074 2.661 5.498 1.00 1.00 C ATOM 205 OD1 ASP A 15 14.413 3.586 6.029 1.00 1.00 O ATOM 206 OD2 ASP A 15 16.310 2.645 5.664 1.00 1.00 O ATOM 0 H ASP A 15 13.362 0.219 6.339 1.00 1.00 H new ATOM 0 HA ASP A 15 12.504 2.571 5.112 1.00 1.00 H new ATOM 0 HB2 ASP A 15 14.833 0.670 4.800 1.00 1.00 H new ATOM 0 HB3 ASP A 15 14.603 1.899 3.572 1.00 1.00 H new ATOM 211 N ASN A 16 12.085 -0.128 3.319 1.00 1.00 N ATOM 212 CA ASN A 16 11.468 -0.633 2.088 1.00 1.00 C ATOM 213 C ASN A 16 9.942 -0.708 2.127 1.00 1.00 C ATOM 214 O ASN A 16 9.336 -1.195 1.178 1.00 1.00 O ATOM 215 CB ASN A 16 12.071 -1.998 1.698 1.00 1.00 C ATOM 216 CG ASN A 16 11.866 -3.056 2.746 1.00 1.00 C ATOM 217 OD1 ASN A 16 11.209 -2.858 3.730 1.00 1.00 O ATOM 218 ND2 ASN A 16 12.450 -4.237 2.514 1.00 1.00 N ATOM 0 H ASN A 16 12.367 -0.852 3.979 1.00 1.00 H new ATOM 0 HA ASN A 16 11.702 0.106 1.321 1.00 1.00 H new ATOM 0 HB2 ASN A 16 11.624 -2.332 0.762 1.00 1.00 H new ATOM 0 HB3 ASN A 16 13.139 -1.878 1.516 1.00 1.00 H new ATOM 0 HD21 ASN A 16 12.343 -4.999 3.183 1.00 1.00 H new ATOM 0 HD22 ASN A 16 13.003 -4.375 1.668 1.00 1.00 H new ATOM 225 N GLU A 17 9.321 -0.184 3.187 1.00 1.00 N ATOM 226 CA GLU A 17 7.869 -0.209 3.333 1.00 1.00 C ATOM 227 C GLU A 17 7.234 1.132 3.042 1.00 1.00 C ATOM 228 O GLU A 17 7.753 2.185 3.428 1.00 1.00 O ATOM 229 CB GLU A 17 7.502 -0.614 4.759 1.00 1.00 C ATOM 230 CG GLU A 17 7.871 -2.052 5.044 1.00 1.00 C ATOM 231 CD GLU A 17 7.647 -2.479 6.468 1.00 1.00 C ATOM 232 OE1 GLU A 17 7.192 -1.635 7.270 1.00 1.00 O ATOM 233 OE2 GLU A 17 7.936 -3.648 6.788 1.00 1.00 O ATOM 0 H GLU A 17 9.809 0.266 3.961 1.00 1.00 H new ATOM 0 HA GLU A 17 7.491 -0.931 2.609 1.00 1.00 H new ATOM 0 HB2 GLU A 17 8.013 0.040 5.466 1.00 1.00 H new ATOM 0 HB3 GLU A 17 6.432 -0.476 4.913 1.00 1.00 H new ATOM 0 HG2 GLU A 17 7.291 -2.700 4.387 1.00 1.00 H new ATOM 0 HG3 GLU A 17 8.921 -2.202 4.793 1.00 1.00 H new ATOM 240 N LEU A 18 6.103 1.101 2.332 1.00 1.00 N ATOM 241 CA LEU A 18 5.338 2.309 2.032 1.00 1.00 C ATOM 242 C LEU A 18 4.610 2.797 3.273 1.00 1.00 C ATOM 243 O LEU A 18 4.087 2.013 4.069 1.00 1.00 O ATOM 244 CB LEU A 18 4.263 2.012 0.990 1.00 1.00 C ATOM 245 CG LEU A 18 4.710 1.675 -0.424 1.00 1.00 C ATOM 246 CD1 LEU A 18 3.542 1.236 -1.299 1.00 1.00 C ATOM 247 CD2 LEU A 18 5.352 2.886 -1.014 1.00 1.00 C ATOM 0 H LEU A 18 5.697 0.245 1.953 1.00 1.00 H new ATOM 0 HA LEU A 18 6.043 3.057 1.669 1.00 1.00 H new ATOM 0 HB2 LEU A 18 3.663 1.179 1.358 1.00 1.00 H new ATOM 0 HB3 LEU A 18 3.604 2.879 0.934 1.00 1.00 H new ATOM 0 HG LEU A 18 5.413 0.843 -0.380 1.00 1.00 H new ATOM 0 HD11 LEU A 18 3.905 1.005 -2.301 1.00 1.00 H new ATOM 0 HD12 LEU A 18 3.077 0.349 -0.868 1.00 1.00 H new ATOM 0 HD13 LEU A 18 2.808 2.040 -1.356 1.00 1.00 H new ATOM 0 HD21 LEU A 18 5.680 2.665 -2.030 1.00 1.00 H new ATOM 0 HD22 LEU A 18 4.633 3.705 -1.035 1.00 1.00 H new ATOM 0 HD23 LEU A 18 6.212 3.173 -0.409 1.00 1.00 H new ATOM 259 N THR A 19 4.567 4.105 3.405 1.00 1.00 N ATOM 260 CA THR A 19 3.849 4.816 4.449 1.00 1.00 C ATOM 261 C THR A 19 2.702 5.536 3.752 1.00 1.00 C ATOM 262 O THR A 19 2.933 6.221 2.769 1.00 1.00 O ATOM 263 CB THR A 19 4.761 5.842 5.141 1.00 1.00 C ATOM 264 OG1 THR A 19 5.845 5.152 5.754 1.00 1.00 O ATOM 265 CG2 THR A 19 4.037 6.615 6.251 1.00 1.00 C ATOM 0 H THR A 19 5.051 4.732 2.762 1.00 1.00 H new ATOM 0 HA THR A 19 3.495 4.128 5.217 1.00 1.00 H new ATOM 0 HB THR A 19 5.091 6.546 4.377 1.00 1.00 H new ATOM 0 HG1 THR A 19 6.435 5.797 6.197 1.00 1.00 H new ATOM 0 HG21 THR A 19 4.725 7.326 6.707 1.00 1.00 H new ATOM 0 HG22 THR A 19 3.189 7.152 5.827 1.00 1.00 H new ATOM 0 HG23 THR A 19 3.682 5.917 7.009 1.00 1.00 H new ATOM 273 N PHE A 20 1.477 5.364 4.239 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 5.670 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 3.760 2.576 1.00 1.00 C ATOM 279 CD1 PHE A 20 -1.574 3.330 3.169 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 -1.846 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 -0.946 1.053 2.860 1.00 1.00 C ATOM 0 H PHE A 20 1.252 4.804 5.061 1.00 1.00 H new ATOM 0 HA PHE A 20 0.645 6.983 3.251 1.00 1.00 H new ATOM 0 HB2 PHE A 20 -0.987 5.700 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 -2.288 4.058 3.525 1.00 1.00 H new ATOM 0 HD2 PHE A 20 1.409 3.113 1.640 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -2.768 1.667 3.772 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 -1.153 0.000 2.985 1.00 1.00 H new ATOM 293 N VAL A 21 -1.798 6.932 4.195 1.00 1.00 N ATOM 294 CA VAL A 21 -2.967 7.141 5.033 1.00 1.00 C ATOM 295 C VAL A 21 -4.210 6.653 4.315 1.00 1.00 C ATOM 296 O VAL A 21 -4.214 6.497 3.097 1.00 1.00 O ATOM 297 CB VAL A 21 -3.131 8.621 5.457 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 -1.836 7.416 3.298 1.00 1.00 H new ATOM 0 HA VAL A 21 -2.824 6.564 5.947 1.00 1.00 H new ATOM 0 HB VAL A 21 -4.076 8.729 5.989 1.00 1.00 H new ATOM 0 HG11 VAL A 21 -2.121 10.061 6.690 1.00 1.00 H new ATOM 0 HG12 VAL A 21 -2.024 8.386 7.283 1.00 1.00 H new ATOM 0 HG13 VAL A 21 -1.044 8.895 5.887 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 3.676 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 -5.265 6.413 5.082 1.00 1.00 N ATOM 310 CA GLU A 22 -6.547 6.010 4.565 1.00 1.00 C ATOM 311 C GLU A 22 -6.901 6.908 3.384 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 6.163 5.667 1.00 1.00 C ATOM 314 CG GLU A 22 -8.949 5.503 5.283 1.00 1.00 C ATOM 315 CD GLU A 22 -10.082 5.739 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 -11.237 5.354 5.973 1.00 1.00 O ATOM 0 H GLU A 22 -5.244 6.497 6.098 1.00 1.00 H new ATOM 0 HA GLU A 22 -6.510 4.969 4.243 1.00 1.00 H new ATOM 0 HB2 GLU A 22 -7.247 5.720 6.592 1.00 1.00 H new ATOM 0 HB3 GLU A 22 -7.781 7.222 5.865 1.00 1.00 H new ATOM 0 HG2 GLU A 22 -9.254 5.874 4.305 1.00 1.00 H new ATOM 0 HG3 GLU A 22 -8.791 4.429 5.181 1.00 1.00 H new ATOM 324 N ASN A 23 -7.415 6.288 2.335 1.00 1.00 N ATOM 325 CA ASN A 23 -7.824 6.942 1.101 1.00 1.00 C ATOM 326 C ASN A 23 -6.736 7.275 0.116 1.00 1.00 C ATOM 327 O ASN A 23 -7.042 7.592 -1.017 1.00 1.00 O ATOM 328 CB ASN A 23 -8.748 8.110 1.336 1.00 1.00 C ATOM 329 CG ASN A 23 -10.058 7.659 1.908 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 -7.565 5.279 2.318 1.00 1.00 H new ATOM 0 HA ASN A 23 -8.387 6.156 0.598 1.00 1.00 H new ATOM 0 HB2 ASN A 23 -8.276 8.819 2.016 1.00 1.00 H new ATOM 0 HB3 ASN A 23 -8.920 8.636 0.397 1.00 1.00 H new ATOM 0 HD21 ASN A 23 -11.444 8.156 3.319 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 -4.905 4.987 -1.113 1.00 1.00 O ATOM 342 CB ASP A 24 -3.037 7.176 0.154 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 9.464 0.749 1.00 1.00 O ATOM 345 OD2 ASP A 24 -1.619 8.338 1.634 1.00 1.00 O ATOM 0 H ASP A 24 -5.171 6.923 1.444 1.00 1.00 H new ATOM 0 HA ASP A 24 -4.536 8.208 -0.999 1.00 1.00 H new ATOM 0 HB2 ASP A 24 -3.016 6.330 0.841 1.00 1.00 H new ATOM 0 HB3 ASP A 24 -2.293 6.978 -0.618 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 5.298 -3.743 1.00 1.00 C ATOM 352 C LYS A 25 -2.711 4.721 -3.909 1.00 1.00 C ATOM 353 O LYS A 25 -1.716 5.439 -3.814 1.00 1.00 O ATOM 354 CB LYS A 25 -4.609 5.850 -5.071 1.00 1.00 C ATOM 355 CG LYS A 25 -6.088 6.168 -5.059 1.00 1.00 C ATOM 356 CD LYS A 25 -6.506 6.701 -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 7.250 -3.059 1.00 1.00 H new ATOM 0 HA LYS A 25 -4.778 4.493 -3.420 1.00 1.00 H new ATOM 0 HB2 LYS A 25 -4.049 6.753 -5.314 1.00 1.00 H new ATOM 0 HB3 LYS A 25 -4.403 5.126 -5.859 1.00 1.00 H new ATOM 0 HG2 LYS A 25 -6.661 5.274 -4.813 1.00 1.00 H new ATOM 0 HG3 LYS A 25 -6.306 6.908 -4.289 1.00 1.00 H new ATOM 0 HD2 LYS A 25 -5.955 7.617 -6.651 1.00 1.00 H new ATOM 0 HD3 LYS A 25 -6.231 5.976 -7.202 1.00 1.00 H new ATOM 0 HE2 LYS A 25 -8.560 6.061 -6.336 1.00 1.00 H new ATOM 0 HE3 LYS A 25 -8.289 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 -8.134 6.860 -8.610 1.00 1.00 H new ATOM 372 N ILE A 26 -2.647 3.411 -4.082 1.00 1.00 N ATOM 373 CA ILE A 26 -1.400 2.690 -4.298 1.00 1.00 C ATOM 374 C ILE A 26 -1.566 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 2.167 -1.870 1.00 1.00 C ATOM 378 CG2 ILE A 26 0.062 0.804 -3.625 1.00 1.00 C ATOM 379 CD1 ILE A 26 -2.268 2.481 -1.057 1.00 1.00 C ATOM 0 H ILE A 26 -3.470 2.809 -4.077 1.00 1.00 H new ATOM 0 HA ILE A 26 -0.530 3.340 -4.212 1.00 1.00 H new ATOM 0 HB ILE A 26 -2.076 0.948 -3.247 1.00 1.00 H new ATOM 0 HG12 ILE A 26 -0.409 1.469 -1.293 1.00 1.00 H new ATOM 0 HG13 ILE A 26 -0.439 3.087 -1.964 1.00 1.00 H new ATOM 0 HG21 ILE A 26 0.226 0.013 -2.893 1.00 1.00 H new ATOM 0 HG22 ILE A 26 -0.063 0.363 -4.614 1.00 1.00 H new ATOM 0 HG23 ILE A 26 0.921 1.475 -3.633 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -1.980 2.888 -0.088 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -2.875 3.211 -1.592 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -2.845 1.568 -0.910 1.00 1.00 H new ATOM 391 N ILE A 27 -0.628 2.364 -6.573 1.00 1.00 N ATOM 392 CA ILE A 27 -0.735 1.999 -7.974 1.00 1.00 C ATOM 393 C ILE A 27 0.331 0.993 -8.386 1.00 1.00 C ATOM 394 O ILE A 27 1.315 0.755 -7.668 1.00 1.00 O ATOM 395 CB ILE A 27 -0.692 3.260 -8.883 1.00 1.00 C ATOM 396 CG1 ILE A 27 0.706 3.854 -8.952 1.00 1.00 C ATOM 397 CG2 ILE A 27 -1.699 4.302 -8.403 1.00 1.00 C ATOM 398 CD1 ILE A 27 0.811 4.959 -10.013 1.00 1.00 C ATOM 0 H ILE A 27 0.236 2.853 -6.340 1.00 1.00 H new ATOM 0 HA ILE A 27 -1.702 1.514 -8.107 1.00 1.00 H new ATOM 0 HB ILE A 27 -0.966 2.950 -9.891 1.00 1.00 H new ATOM 0 HG12 ILE A 27 0.975 4.261 -7.977 1.00 1.00 H new ATOM 0 HG13 ILE A 27 1.424 3.066 -9.178 1.00 1.00 H new ATOM 0 HG21 ILE A 27 -1.654 5.177 -9.051 1.00 1.00 H new ATOM 0 HG22 ILE A 27 -2.703 3.879 -8.434 1.00 1.00 H new ATOM 0 HG23 ILE A 27 -1.460 4.595 -7.381 1.00 1.00 H new ATOM 0 HD11 ILE A 27 1.827 5.354 -10.027 1.00 1.00 H new ATOM 0 HD12 ILE A 27 0.568 4.547 -10.993 1.00 1.00 H new ATOM 0 HD13 ILE A 27 0.113 5.761 -9.773 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 1.419 -1.661 -9.080 1.00 1.00 C ATOM 413 O ASN A 28 2.584 -2.002 -8.847 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 2.068 1.080 -11.728 1.00 1.00 C ATOM 416 OD1 ASN A 28 1.191 0.852 -12.559 1.00 1.00 O ATOM 417 ND2 ASN A 28 2.692 2.253 -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 0.594 -1.063 -10.949 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 -0.693 -10.976 1.00 1.00 H new ATOM 0 HD21 ASN A 28 2.448 3.003 -12.300 1.00 1.00 H new ATOM 0 HD22 ASN A 28 3.414 2.402 -10.949 1.00 1.00 H new ATOM 424 N ILE A 29 0.385 -2.243 -8.509 1.00 1.00 N ATOM 425 CA ILE A 29 0.584 -3.271 -7.511 1.00 1.00 C ATOM 426 C ILE A 29 1.181 -4.524 -8.134 1.00 1.00 C ATOM 427 O ILE A 29 0.687 -5.039 -9.136 1.00 1.00 O ATOM 428 CB ILE A 29 -0.730 -3.574 -6.806 1.00 1.00 C ATOM 429 CG1 ILE A 29 -1.179 -2.303 -6.091 1.00 1.00 C ATOM 430 CG2 ILE A 29 -0.608 -4.745 -5.823 1.00 1.00 C ATOM 431 CD1 ILE A 29 -2.585 -2.317 -5.577 1.00 1.00 C ATOM 0 H ILE A 29 -0.590 -2.025 -8.716 1.00 1.00 H new ATOM 0 HA ILE A 29 1.294 -2.907 -6.769 1.00 1.00 H new ATOM 0 HB ILE A 29 -1.471 -3.881 -7.544 1.00 1.00 H new ATOM 0 HG12 ILE A 29 -0.506 -2.121 -5.253 1.00 1.00 H new ATOM 0 HG13 ILE A 29 -1.069 -1.463 -6.777 1.00 1.00 H new ATOM 0 HG21 ILE A 29 -1.572 -4.921 -5.346 1.00 1.00 H new ATOM 0 HG22 ILE A 29 -0.300 -5.641 -6.361 1.00 1.00 H new ATOM 0 HG23 ILE A 29 0.135 -4.506 -5.062 1.00 1.00 H new ATOM 0 HD11 ILE A 29 -2.803 -1.368 -5.087 1.00 1.00 H new ATOM 0 HD12 ILE A 29 -3.275 -2.463 -6.408 1.00 1.00 H new ATOM 0 HD13 ILE A 29 -2.703 -3.131 -4.861 1.00 1.00 H new ATOM 443 N GLU A 30 2.262 -4.981 -7.524 1.00 1.00 N ATOM 444 CA GLU A 30 2.977 -6.168 -7.930 1.00 1.00 C ATOM 445 C GLU A 30 2.809 -7.192 -6.824 1.00 1.00 C ATOM 446 O GLU A 30 3.167 -6.948 -5.671 1.00 1.00 O ATOM 447 CB GLU A 30 4.446 -5.823 -8.229 1.00 1.00 C ATOM 448 CG GLU A 30 4.502 -4.958 -9.497 1.00 1.00 C ATOM 449 CD GLU A 30 5.871 -4.433 -9.934 1.00 1.00 C ATOM 450 OE1 GLU A 30 6.919 -4.830 -9.380 1.00 1.00 O ATOM 451 OE2 GLU A 30 5.903 -3.699 -10.934 1.00 1.00 O ATOM 0 H GLU A 30 2.673 -4.521 -6.712 1.00 1.00 H new ATOM 0 HA GLU A 30 2.582 -6.588 -8.855 1.00 1.00 H new ATOM 0 HB2 GLU A 30 4.887 -5.289 -7.388 1.00 1.00 H new ATOM 0 HB3 GLU A 30 5.027 -6.735 -8.368 1.00 1.00 H new ATOM 0 HG2 GLU A 30 4.087 -5.540 -10.320 1.00 1.00 H new ATOM 0 HG3 GLU A 30 3.845 -4.101 -9.349 1.00 1.00 H new ATOM 458 N PHE A 31 2.220 -8.331 -7.174 1.00 1.00 N ATOM 459 CA PHE A 31 1.905 -9.378 -6.213 1.00 1.00 C ATOM 460 C PHE A 31 3.185 -10.106 -5.831 1.00 1.00 C ATOM 461 O PHE A 31 3.385 -11.273 -6.158 1.00 1.00 O ATOM 462 CB PHE A 31 0.858 -10.317 -6.815 1.00 1.00 C ATOM 463 CG PHE A 31 -0.482 -9.650 -7.016 1.00 1.00 C ATOM 464 CD1 PHE A 31 -1.425 -9.684 -6.028 1.00 1.00 C ATOM 465 CD2 PHE A 31 -0.800 -9.030 -8.206 1.00 1.00 C ATOM 466 CE1 PHE A 31 -2.679 -9.075 -6.201 1.00 1.00 C ATOM 467 CE2 PHE A 31 -2.028 -8.430 -8.374 1.00 1.00 C ATOM 468 CZ PHE A 31 -2.963 -8.461 -7.384 1.00 1.00 C ATOM 0 H PHE A 31 1.948 -8.553 -8.132 1.00 1.00 H new ATOM 0 HA PHE A 31 1.481 -8.955 -5.302 1.00 1.00 H new ATOM 0 HB2 PHE A 31 1.220 -10.690 -7.773 1.00 1.00 H new ATOM 0 HB3 PHE A 31 0.734 -11.181 -6.162 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -1.203 -10.187 -5.099 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -0.081 -9.015 -9.012 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -3.410 -9.093 -5.406 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -2.253 -7.928 -9.303 1.00 1.00 H new ATOM 0 HZ PHE A 31 -3.928 -8.000 -7.536 1.00 1.00 H new ATOM 478 N VAL A 32 4.025 -9.440 -5.056 1.00 1.00 N ATOM 479 CA VAL A 32 5.290 -10.033 -4.628 1.00 1.00 C ATOM 480 C VAL A 32 5.128 -11.217 -3.699 1.00 1.00 C ATOM 481 O VAL A 32 5.877 -12.168 -3.822 1.00 1.00 O ATOM 482 CB VAL A 32 6.223 -8.994 -3.956 1.00 1.00 C ATOM 483 CG1 VAL A 32 5.570 -8.411 -2.711 1.00 1.00 C ATOM 484 CG2 VAL A 32 7.575 -9.596 -3.628 1.00 1.00 C ATOM 0 H VAL A 32 3.860 -8.495 -4.710 1.00 1.00 H new ATOM 0 HA VAL A 32 5.744 -10.393 -5.551 1.00 1.00 H new ATOM 0 HB VAL A 32 6.388 -8.184 -4.667 1.00 1.00 H new ATOM 0 HG11 VAL A 32 6.242 -7.684 -2.254 1.00 1.00 H new ATOM 0 HG12 VAL A 32 4.636 -7.920 -2.986 1.00 1.00 H new ATOM 0 HG13 VAL A 32 5.364 -9.211 -2.000 1.00 1.00 H new ATOM 0 HG21 VAL A 32 8.205 -8.841 -3.158 1.00 1.00 H new ATOM 0 HG22 VAL A 32 7.444 -10.435 -2.945 1.00 1.00 H new ATOM 0 HG23 VAL A 32 8.050 -9.945 -4.545 1.00 1.00 H new ATOM 494 N ASP A 33 4.150 -11.177 -2.809 1.00 1.00 N ATOM 495 CA ASP A 33 3.873 -12.255 -1.871 1.00 1.00 C ATOM 496 C ASP A 33 2.357 -12.301 -1.686 1.00 1.00 C ATOM 497 O ASP A 33 1.667 -11.385 -2.101 1.00 1.00 O ATOM 498 CB ASP A 33 4.612 -11.969 -0.560 1.00 1.00 C ATOM 499 CG ASP A 33 4.835 -13.198 0.264 1.00 1.00 C ATOM 500 OD1 ASP A 33 4.356 -14.313 -0.080 1.00 1.00 O ATOM 501 OD2 ASP A 33 5.510 -13.083 1.320 1.00 1.00 O ATOM 0 H ASP A 33 3.516 -10.383 -2.716 1.00 1.00 H new ATOM 0 HA ASP A 33 4.218 -13.224 -2.230 1.00 1.00 H new ATOM 0 HB2 ASP A 33 5.574 -11.509 -0.784 1.00 1.00 H new ATOM 0 HB3 ASP A 33 4.041 -11.246 0.023 1.00 1.00 H new ATOM 506 N ASP A 34 1.837 -13.374 -1.070 1.00 1.00 N ATOM 507 CA ASP A 34 0.405 -13.520 -0.845 1.00 1.00 C ATOM 508 C ASP A 34 -0.116 -12.491 0.151 1.00 1.00 C ATOM 509 O ASP A 34 -1.247 -12.040 0.056 1.00 1.00 O ATOM 510 CB ASP A 34 0.066 -14.898 -0.250 1.00 1.00 C ATOM 511 CG ASP A 34 0.753 -15.174 1.051 1.00 1.00 C ATOM 512 OD1 ASP A 34 1.860 -14.658 1.306 1.00 1.00 O ATOM 513 OD2 ASP A 34 0.214 -15.891 1.908 1.00 1.00 O ATOM 0 H ASP A 34 2.396 -14.152 -0.720 1.00 1.00 H new ATOM 0 HA ASP A 34 -0.059 -13.388 -1.822 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -1.012 -14.966 -0.104 1.00 1.00 H new ATOM 0 HB3 ASP A 34 0.340 -15.672 -0.967 1.00 1.00 H new ATOM 518 N ASP A 35 0.710 -12.146 1.132 1.00 1.00 N ATOM 519 CA ASP A 35 0.329 -11.220 2.200 1.00 1.00 C ATOM 520 C ASP A 35 0.789 -9.787 2.002 1.00 1.00 C ATOM 521 O ASP A 35 0.071 -8.841 2.350 1.00 1.00 O ATOM 522 CB ASP A 35 0.874 -11.752 3.537 1.00 1.00 C ATOM 523 CG ASP A 35 2.354 -11.997 3.469 1.00 1.00 C ATOM 524 OD1 ASP A 35 3.033 -11.930 2.418 1.00 1.00 O ATOM 525 OD2 ASP A 35 2.908 -12.342 4.532 1.00 1.00 O ATOM 0 H ASP A 35 1.664 -12.499 1.212 1.00 1.00 H new ATOM 0 HA ASP A 35 -0.760 -11.179 2.189 1.00 1.00 H new ATOM 0 HB2 ASP A 35 0.659 -11.036 4.330 1.00 1.00 H new ATOM 0 HB3 ASP A 35 0.362 -12.679 3.797 1.00 1.00 H new ATOM 530 N TRP A 36 1.999 -9.631 1.496 1.00 1.00 N ATOM 531 CA TRP A 36 2.581 -8.326 1.276 1.00 1.00 C ATOM 532 C TRP A 36 2.666 -8.107 -0.218 1.00 1.00 C ATOM 533 O TRP A 36 3.121 -8.996 -0.944 1.00 1.00 O ATOM 534 CB TRP A 36 3.977 -8.269 1.879 1.00 1.00 C ATOM 535 CG TRP A 36 3.970 -8.076 3.353 1.00 1.00 C ATOM 536 CD1 TRP A 36 3.853 -9.038 4.311 1.00 1.00 C ATOM 537 CD2 TRP A 36 4.028 -6.828 4.036 1.00 1.00 C ATOM 538 NE1 TRP A 36 3.856 -8.457 5.557 1.00 1.00 N ATOM 539 CE2 TRP A 36 3.977 -7.098 5.420 1.00 1.00 C ATOM 540 CE3 TRP A 36 4.182 -5.510 3.626 1.00 1.00 C ATOM 541 CZ2 TRP A 36 4.037 -6.080 6.385 1.00 1.00 C ATOM 542 CZ3 TRP A 36 4.259 -4.520 4.584 1.00 1.00 C ATOM 543 CH2 TRP A 36 4.190 -4.809 5.937 1.00 1.00 C ATOM 0 H TRP A 36 2.603 -10.408 1.227 1.00 1.00 H new ATOM 0 HA TRP A 36 1.970 -7.555 1.746 1.00 1.00 H new ATOM 0 HB2 TRP A 36 4.506 -9.192 1.642 1.00 1.00 H new ATOM 0 HB3 TRP A 36 4.533 -7.455 1.415 1.00 1.00 H new ATOM 0 HD1 TRP A 36 3.770 -10.098 4.120 1.00 1.00 H new ATOM 0 HE1 TRP A 36 3.780 -8.957 6.443 1.00 1.00 H new ATOM 0 HE3 TRP A 36 4.240 -5.264 2.576 1.00 1.00 H new ATOM 0 HZ2 TRP A 36 3.964 -6.300 7.440 1.00 1.00 H new ATOM 0 HZ3 TRP A 36 4.376 -3.493 4.271 1.00 1.00 H new ATOM 0 HH2 TRP A 36 4.260 -4.003 6.652 1.00 1.00 H new ATOM 554 N TRP A 37 2.237 -6.930 -0.670 1.00 1.00 N ATOM 555 CA TRP A 37 2.271 -6.563 -2.058 1.00 1.00 C ATOM 556 C TRP A 37 3.183 -5.365 -2.209 1.00 1.00 C ATOM 557 O TRP A 37 3.377 -4.594 -1.282 1.00 1.00 O ATOM 558 CB TRP A 37 0.892 -6.233 -2.605 1.00 1.00 C ATOM 559 CG TRP A 37 -0.084 -7.380 -2.536 1.00 1.00 C ATOM 560 CD1 TRP A 37 0.210 -8.685 -2.283 1.00 1.00 C ATOM 561 CD2 TRP A 37 -1.505 -7.326 -2.739 1.00 1.00 C ATOM 562 NE1 TRP A 37 -0.933 -9.450 -2.324 1.00 1.00 N ATOM 563 CE2 TRP A 37 -2.000 -8.642 -2.594 1.00 1.00 C ATOM 564 CE3 TRP A 37 -2.402 -6.309 -3.015 1.00 1.00 C ATOM 565 CZ2 TRP A 37 -3.337 -8.956 -2.733 1.00 1.00 C ATOM 566 CZ3 TRP A 37 -3.748 -6.639 -3.167 1.00 1.00 C ATOM 567 CH2 TRP A 37 -4.193 -7.945 -3.012 1.00 1.00 C ATOM 0 H TRP A 37 1.854 -6.205 -0.063 1.00 1.00 H new ATOM 0 HA TRP A 37 2.642 -7.413 -2.630 1.00 1.00 H new ATOM 0 HB2 TRP A 37 0.484 -5.388 -2.050 1.00 1.00 H new ATOM 0 HB3 TRP A 37 0.990 -5.915 -3.643 1.00 1.00 H new ATOM 0 HD1 TRP A 37 1.200 -9.066 -2.079 1.00 1.00 H new ATOM 0 HE1 TRP A 37 -0.976 -10.458 -2.176 1.00 1.00 H new ATOM 0 HE3 TRP A 37 -2.068 -5.286 -3.110 1.00 1.00 H new ATOM 0 HZ2 TRP A 37 -3.688 -9.972 -2.623 1.00 1.00 H new ATOM 0 HZ3 TRP A 37 -4.459 -5.863 -3.410 1.00 1.00 H new ATOM 0 HH2 TRP A 37 -5.246 -8.159 -3.116 1.00 1.00 H new ATOM 578 N LEU A 38 3.753 -5.238 -3.389 1.00 1.00 N ATOM 579 CA LEU A 38 4.627 -4.140 -3.721 1.00 1.00 C ATOM 580 C LEU A 38 3.828 -3.113 -4.533 1.00 1.00 C ATOM 581 O LEU A 38 3.142 -3.488 -5.484 1.00 1.00 O ATOM 582 CB LEU A 38 5.756 -4.646 -4.572 1.00 1.00 C ATOM 583 CG LEU A 38 6.856 -3.771 -5.193 1.00 1.00 C ATOM 584 CD1 LEU A 38 7.587 -2.970 -4.127 1.00 1.00 C ATOM 585 CD2 LEU A 38 7.846 -4.549 -6.012 1.00 1.00 C ATOM 0 H LEU A 38 3.619 -5.903 -4.151 1.00 1.00 H new ATOM 0 HA LEU A 38 5.021 -3.689 -2.810 1.00 1.00 H new ATOM 0 HB2 LEU A 38 6.273 -5.393 -3.969 1.00 1.00 H new ATOM 0 HB3 LEU A 38 5.290 -5.175 -5.403 1.00 1.00 H new ATOM 0 HG LEU A 38 6.342 -3.091 -5.872 1.00 1.00 H new ATOM 0 HD11 LEU A 38 8.359 -2.360 -4.596 1.00 1.00 H new ATOM 0 HD12 LEU A 38 6.879 -2.323 -3.609 1.00 1.00 H new ATOM 0 HD13 LEU A 38 8.047 -3.651 -3.411 1.00 1.00 H new ATOM 0 HD21 LEU A 38 8.594 -3.870 -6.420 1.00 1.00 H new ATOM 0 HD22 LEU A 38 8.336 -5.292 -5.382 1.00 1.00 H new ATOM 0 HD23 LEU A 38 7.328 -5.051 -6.829 1.00 1.00 H new ATOM 597 N GLY A 39 3.936 -1.842 -4.191 1.00 1.00 N ATOM 598 CA GLY A 39 3.243 -0.834 -4.956 1.00 1.00 C ATOM 599 C GLY A 39 3.918 0.514 -4.847 1.00 1.00 C ATOM 600 O GLY A 39 4.907 0.673 -4.128 1.00 1.00 O ATOM 0 H GLY A 39 4.485 -1.493 -3.406 1.00 1.00 H new ATOM 0 HA2 GLY A 39 3.201 -1.136 -6.002 1.00 1.00 H new ATOM 0 HA3 GLY A 39 2.214 -0.755 -4.606 1.00 1.00 H new ATOM 604 N GLU A 40 3.348 1.471 -5.556 1.00 1.00 N ATOM 605 CA GLU A 40 3.835 2.833 -5.606 1.00 1.00 C ATOM 606 C GLU A 40 2.710 3.785 -5.232 1.00 1.00 C ATOM 607 O GLU A 40 1.568 3.596 -5.642 1.00 1.00 O ATOM 608 CB GLU A 40 4.315 3.133 -7.016 1.00 1.00 C ATOM 609 CG GLU A 40 4.885 4.526 -7.202 1.00 1.00 C ATOM 610 CD GLU A 40 5.326 4.834 -8.624 1.00 1.00 C ATOM 611 OE1 GLU A 40 4.925 4.079 -9.537 1.00 1.00 O ATOM 612 OE2 GLU A 40 6.123 5.797 -8.804 1.00 1.00 O ATOM 0 H GLU A 40 2.515 1.317 -6.125 1.00 1.00 H new ATOM 0 HA GLU A 40 4.659 2.960 -4.904 1.00 1.00 H new ATOM 0 HB2 GLU A 40 5.076 2.403 -7.290 1.00 1.00 H new ATOM 0 HB3 GLU A 40 3.482 3.000 -7.706 1.00 1.00 H new ATOM 0 HG2 GLU A 40 4.135 5.257 -6.900 1.00 1.00 H new ATOM 0 HG3 GLU A 40 5.738 4.650 -6.534 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 6.706 -5.234 1.00 1.00 C ATOM 622 O LEU A 41 2.506 7.332 -5.846 1.00 1.00 O ATOM 623 CB LEU A 41 2.415 6.638 -2.912 1.00 1.00 C ATOM 624 CG LEU A 41 2.672 5.913 -1.602 1.00 1.00 C ATOM 625 CD1 LEU A 41 2.913 6.915 -0.470 1.00 1.00 C ATOM 626 CD2 LEU A 41 1.583 4.961 -1.246 1.00 1.00 C ATOM 0 H LEU A 41 3.965 5.024 -4.103 1.00 1.00 H new ATOM 0 HA LEU A 41 1.136 5.182 -3.820 1.00 1.00 H new ATOM 0 HB2 LEU A 41 3.321 7.180 -3.184 1.00 1.00 H new ATOM 0 HB3 LEU A 41 1.637 7.383 -2.742 1.00 1.00 H new ATOM 0 HG LEU A 41 3.573 5.316 -1.743 1.00 1.00 H new ATOM 0 HD11 LEU A 41 3.095 6.376 0.460 1.00 1.00 H new ATOM 0 HD12 LEU A 41 3.780 7.531 -0.708 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 4.472 -0.301 1.00 1.00 H new ATOM 0 HD22 LEU A 41 0.643 5.504 -1.147 1.00 1.00 H new ATOM 0 HD23 LEU A 41 1.487 4.209 -2.029 1.00 1.00 H new ATOM 638 N GLU A 42 0.343 6.869 -5.470 1.00 1.00 N ATOM 639 CA GLU A 42 -0.100 7.853 -6.433 1.00 1.00 C ATOM 640 C GLU A 42 0.407 9.247 -6.047 1.00 1.00 C ATOM 641 O GLU A 42 0.757 10.065 -6.909 1.00 1.00 O ATOM 642 CB GLU A 42 -1.640 7.877 -6.458 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 -7.091 1.00 1.00 C ATOM 645 OE1 GLU A 42 -4.182 9.144 -5.981 1.00 1.00 O ATOM 646 OE2 GLU A 42 -4.301 9.896 -8.031 1.00 1.00 O ATOM 0 H GLU A 42 -0.402 6.341 -5.015 1.00 1.00 H new ATOM 0 HA GLU A 42 0.295 7.587 -7.414 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -2.007 6.901 -6.777 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -2.011 8.042 -5.446 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 -2.146 8.583 -8.401 1.00 1.00 H new ATOM 653 N LYS A 43 0.414 9.558 -4.761 1.00 1.00 N ATOM 654 CA LYS A 43 0.648 10.954 -4.398 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 12.648 -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 -0.552 1.00 1.00 C ATOM 660 CE LYS A 43 0.961 10.246 0.610 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 0.270 8.909 -3.987 1.00 1.00 H new ATOM 0 HA LYS A 43 0.094 11.522 -5.145 1.00 1.00 H new ATOM 0 HB2 LYS A 43 0.074 12.328 -2.852 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -0.916 10.884 -2.930 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 1.879 11.139 -1.815 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -0.112 11.789 -0.378 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -0.771 10.183 -0.617 1.00 1.00 H new ATOM 0 HE2 LYS A 43 1.217 9.197 0.463 1.00 1.00 H new ATOM 0 HE3 LYS A 43 1.899 10.796 0.683 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 0.733 10.061 2.664 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -0.046 11.415 1.998 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -0.707 9.866 1.785 1.00 1.00 H new ATOM 675 N ASP A 44 3.055 10.540 -4.528 1.00 1.00 N ATOM 676 CA ASP A 44 4.444 10.977 -4.535 1.00 1.00 C ATOM 677 C ASP A 44 5.415 10.097 -5.295 1.00 1.00 C ATOM 678 O ASP A 44 6.595 10.404 -5.308 1.00 1.00 O ATOM 679 CB ASP A 44 4.950 11.215 -3.100 1.00 1.00 C ATOM 680 CG ASP A 44 5.027 9.980 -2.243 1.00 1.00 C ATOM 681 OD1 ASP A 44 4.929 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 9.529 -4.522 1.00 1.00 H new ATOM 0 HA ASP A 44 4.424 11.912 -5.095 1.00 1.00 H new ATOM 0 HB2 ASP A 44 5.940 11.668 -3.150 1.00 1.00 H new ATOM 0 HB3 ASP A 44 4.294 11.937 -2.614 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 5.890 8.155 -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 6.542 -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 5.314 7.533 -7.317 1.00 1.00 H new ATOM 0 HA3 GLY A 45 6.527 8.795 -7.242 1.00 1.00 H new ATOM 694 N SER A 46 6.640 7.258 -4.470 1.00 1.00 N ATOM 695 CA SER A 46 7.456 6.369 -3.623 1.00 1.00 C ATOM 696 C SER A 46 6.995 4.932 -3.841 1.00 1.00 C ATOM 697 O SER A 46 5.852 4.688 -4.169 1.00 1.00 O ATOM 698 CB SER A 46 7.387 6.757 -2.149 1.00 1.00 C ATOM 699 OG SER A 46 6.100 6.702 -1.616 1.00 1.00 O ATOM 0 H SER A 46 5.987 7.852 -3.959 1.00 1.00 H new ATOM 0 HA SER A 46 8.502 6.468 -3.912 1.00 1.00 H new ATOM 0 HB2 SER A 46 8.037 6.094 -1.577 1.00 1.00 H new ATOM 0 HB3 SER A 46 7.778 7.768 -2.029 1.00 1.00 H new ATOM 0 HG SER A 46 5.573 7.456 -1.954 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 7.609 2.579 -3.920 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 9.033 2.107 -2.070 1.00 1.00 O ATOM 709 CB LYS A 47 8.338 2.072 -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 2.133 -7.681 1.00 1.00 C ATOM 712 CE LYS A 47 8.145 3.004 -8.893 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 4.155 -3.375 1.00 1.00 H new ATOM 0 HA LYS A 47 6.534 2.482 -4.069 1.00 1.00 H new ATOM 0 HB2 LYS A 47 9.412 2.188 -5.023 1.00 1.00 H new ATOM 0 HB3 LYS A 47 8.145 1.006 -5.284 1.00 1.00 H new ATOM 0 HG2 LYS A 47 6.839 2.837 -6.469 1.00 1.00 H new ATOM 0 HG3 LYS A 47 8.289 3.817 -6.383 1.00 1.00 H new ATOM 0 HD2 LYS A 47 9.520 1.970 -7.598 1.00 1.00 H new ATOM 0 HD3 LYS A 47 7.983 1.154 -7.805 1.00 1.00 H new ATOM 0 HE2 LYS A 47 7.155 3.445 -8.773 1.00 1.00 H new ATOM 0 HE3 LYS A 47 8.859 3.827 -8.921 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 7.980 2.935 -10.977 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 9.145 1.875 -10.342 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 7.494 1.506 -10.199 1.00 1.00 H new ATOM 727 N GLY A 48 7.375 0.660 -2.491 1.00 1.00 N ATOM 728 CA GLY A 48 7.747 -0.196 -1.387 1.00 1.00 C ATOM 729 C GLY A 48 6.688 -1.218 -1.059 1.00 1.00 C ATOM 730 O GLY A 48 5.583 -1.207 -1.610 1.00 1.00 O ATOM 0 H GLY A 48 6.569 0.342 -3.029 1.00 1.00 H new ATOM 0 HA2 GLY A 48 8.678 -0.709 -1.628 1.00 1.00 H new ATOM 0 HA3 GLY A 48 7.939 0.417 -0.506 1.00 1.00 H new ATOM 734 N LEU A 49 7.037 -2.088 -0.128 1.00 1.00 N ATOM 735 CA LEU A 49 6.165 -3.132 0.340 1.00 1.00 C ATOM 736 C LEU A 49 5.063 -2.587 1.227 1.00 1.00 C ATOM 737 O LEU A 49 5.294 -1.730 2.095 1.00 1.00 O ATOM 738 CB LEU A 49 6.976 -4.138 1.155 1.00 1.00 C ATOM 739 CG LEU A 49 7.996 -4.965 0.397 1.00 1.00 C ATOM 740 CD1 LEU A 49 8.871 -5.692 1.379 1.00 1.00 C ATOM 741 CD2 LEU A 49 7.290 -5.952 -0.525 1.00 1.00 C ATOM 0 H LEU A 49 7.950 -2.083 0.326 1.00 1.00 H new ATOM 0 HA LEU A 49 5.713 -3.602 -0.534 1.00 1.00 H new ATOM 0 HB2 LEU A 49 7.497 -3.595 1.944 1.00 1.00 H new ATOM 0 HB3 LEU A 49 6.280 -4.820 1.643 1.00 1.00 H new ATOM 0 HG LEU A 49 8.615 -4.310 -0.216 1.00 1.00 H new ATOM 0 HD11 LEU A 49 9.606 -6.288 0.839 1.00 1.00 H new ATOM 0 HD12 LEU A 49 9.385 -4.969 2.013 1.00 1.00 H new ATOM 0 HD13 LEU A 49 8.257 -6.346 1.998 1.00 1.00 H new ATOM 0 HD21 LEU A 49 8.032 -6.541 -1.064 1.00 1.00 H new ATOM 0 HD22 LEU A 49 6.660 -6.616 0.067 1.00 1.00 H new ATOM 0 HD23 LEU A 49 6.672 -5.406 -1.238 1.00 1.00 H new ATOM 753 N PHE A 50 3.861 -3.120 1.045 1.00 1.00 N ATOM 754 CA PHE A 50 2.740 -2.711 1.859 1.00 1.00 C ATOM 755 C PHE A 50 1.922 -3.943 2.182 1.00 1.00 C ATOM 756 O PHE A 50 1.909 -4.898 1.383 1.00 1.00 O ATOM 757 CB PHE A 50 1.889 -1.654 1.154 1.00 1.00 C ATOM 758 CG PHE A 50 1.182 -2.152 -0.069 1.00 1.00 C ATOM 759 CD1 PHE A 50 1.768 -2.121 -1.321 1.00 1.00 C ATOM 760 CD2 PHE A 50 -0.064 -2.728 0.038 1.00 1.00 C ATOM 761 CE1 PHE A 50 1.103 -2.622 -2.424 1.00 1.00 C ATOM 762 CE2 PHE A 50 -0.715 -3.224 -1.061 1.00 1.00 C ATOM 763 CZ PHE A 50 -0.141 -3.179 -2.291 1.00 1.00 C ATOM 0 H PHE A 50 3.646 -3.830 0.345 1.00 1.00 H new ATOM 0 HA PHE A 50 3.103 -2.251 2.778 1.00 1.00 H new ATOM 0 HB2 PHE A 50 1.149 -1.271 1.857 1.00 1.00 H new ATOM 0 HB3 PHE A 50 2.528 -0.816 0.875 1.00 1.00 H new ATOM 0 HD1 PHE A 50 2.756 -1.701 -1.438 1.00 1.00 H new ATOM 0 HD2 PHE A 50 -0.537 -2.790 1.007 1.00 1.00 H new ATOM 0 HE1 PHE A 50 1.568 -2.574 -3.398 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -1.698 -3.657 -0.948 1.00 1.00 H new ATOM 0 HZ PHE A 50 -0.658 -3.577 -3.152 1.00 1.00 H new ATOM 773 N PRO A 51 1.252 -3.959 3.334 1.00 1.00 N ATOM 774 CA PRO A 51 0.463 -5.132 3.705 1.00 1.00 C ATOM 775 C PRO A 51 -0.856 -5.087 2.966 1.00 1.00 C ATOM 776 O PRO A 51 -1.524 -4.066 2.869 1.00 1.00 O ATOM 777 CB PRO A 51 0.286 -4.978 5.227 1.00 1.00 C ATOM 778 CG PRO A 51 0.360 -3.526 5.502 1.00 1.00 C ATOM 779 CD PRO A 51 1.228 -2.935 4.395 1.00 1.00 C ATOM 0 HA PRO A 51 0.922 -6.088 3.453 1.00 1.00 H new ATOM 0 HB2 PRO A 51 -0.670 -5.388 5.552 1.00 1.00 H new ATOM 0 HB3 PRO A 51 1.064 -5.517 5.767 1.00 1.00 H new ATOM 0 HG2 PRO A 51 -0.633 -3.077 5.501 1.00 1.00 H new ATOM 0 HG3 PRO A 51 0.795 -3.336 6.483 1.00 1.00 H new ATOM 0 HD2 PRO A 51 0.812 -1.997 4.027 1.00 1.00 H new ATOM 0 HD3 PRO A 51 2.233 -2.719 4.756 1.00 1.00 H new ATOM 787 N SER A 52 -1.234 -6.225 2.392 1.00 1.00 N ATOM 788 CA SER A 52 -2.452 -6.291 1.600 1.00 1.00 C ATOM 789 C SER A 52 -3.730 -6.002 2.383 1.00 1.00 C ATOM 790 O SER A 52 -4.663 -5.390 1.852 1.00 1.00 O ATOM 791 CB SER A 52 -2.544 -7.657 0.940 1.00 1.00 C ATOM 792 OG SER A 52 -1.379 -7.898 0.197 1.00 1.00 O ATOM 0 H SER A 52 -0.720 -7.103 2.460 1.00 1.00 H new ATOM 0 HA SER A 52 -2.380 -5.498 0.856 1.00 1.00 H new ATOM 0 HB2 SER A 52 -2.671 -8.431 1.697 1.00 1.00 H new ATOM 0 HB3 SER A 52 -3.418 -7.700 0.290 1.00 1.00 H new ATOM 0 HG SER A 52 -1.554 -7.723 -0.751 1.00 1.00 H new ATOM 798 N ASN A 53 -3.793 -6.407 3.648 1.00 1.00 N ATOM 799 CA ASN A 53 -5.000 -6.175 4.418 1.00 1.00 C ATOM 800 C ASN A 53 -5.279 -4.681 4.685 1.00 1.00 C ATOM 801 O ASN A 53 -6.332 -4.321 5.189 1.00 1.00 O ATOM 802 CB ASN A 53 -4.980 -7.001 5.741 1.00 1.00 C ATOM 803 CG ASN A 53 -6.349 -6.930 6.539 1.00 1.00 C ATOM 804 OD1 ASN A 53 -7.387 -6.717 5.950 1.00 1.00 O ATOM 805 ND2 ASN A 53 -6.315 -7.123 7.865 1.00 1.00 N ATOM 0 H ASN A 53 -3.042 -6.884 4.147 1.00 1.00 H new ATOM 0 HA ASN A 53 -5.831 -6.524 3.805 1.00 1.00 H new ATOM 0 HB2 ASN A 53 -4.755 -8.042 5.509 1.00 1.00 H new ATOM 0 HB3 ASN A 53 -4.175 -6.635 6.379 1.00 1.00 H new ATOM 0 HD21 ASN A 53 -7.179 -7.093 8.407 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -5.426 -7.300 8.332 1.00 1.00 H new ATOM 812 N TYR A 54 -4.359 -3.782 4.341 1.00 1.00 N ATOM 813 CA TYR A 54 -4.600 -2.358 4.558 1.00 1.00 C ATOM 814 C TYR A 54 -5.195 -1.651 3.338 1.00 1.00 C ATOM 815 O TYR A 54 -5.408 -0.449 3.403 1.00 1.00 O ATOM 816 CB TYR A 54 -3.336 -1.616 5.016 1.00 1.00 C ATOM 817 CG TYR A 54 -3.076 -1.757 6.484 1.00 1.00 C ATOM 818 CD1 TYR A 54 -2.637 -2.942 7.008 1.00 1.00 C ATOM 819 CD2 TYR A 54 -3.262 -0.689 7.354 1.00 1.00 C ATOM 820 CE1 TYR A 54 -2.378 -3.074 8.353 1.00 1.00 C ATOM 821 CE2 TYR A 54 -3.001 -0.814 8.702 1.00 1.00 C ATOM 822 CZ TYR A 54 -2.558 -2.003 9.196 1.00 1.00 C ATOM 823 OH TYR A 54 -2.276 -2.154 10.541 1.00 1.00 O ATOM 0 H TYR A 54 -3.458 -4.008 3.920 1.00 1.00 H new ATOM 0 HA TYR A 54 -5.340 -2.321 5.357 1.00 1.00 H new ATOM 0 HB2 TYR A 54 -2.477 -1.996 4.462 1.00 1.00 H new ATOM 0 HB3 TYR A 54 -3.432 -0.559 4.769 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -2.491 -3.789 6.354 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -3.617 0.255 6.967 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -2.033 -4.019 8.746 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -3.147 0.027 9.363 1.00 1.00 H new ATOM 0 HH TYR A 54 -2.451 -1.311 11.009 1.00 1.00 H new ATOM 833 N VAL A 55 -5.428 -2.363 2.241 1.00 1.00 N ATOM 834 CA VAL A 55 -5.959 -1.742 1.025 1.00 1.00 C ATOM 835 C VAL A 55 -7.022 -2.606 0.372 1.00 1.00 C ATOM 836 O VAL A 55 -7.135 -3.800 0.639 1.00 1.00 O ATOM 837 CB VAL A 55 -4.837 -1.454 -0.031 1.00 1.00 C ATOM 838 CG1 VAL A 55 -3.776 -0.507 0.521 1.00 1.00 C ATOM 839 CG2 VAL A 55 -4.197 -2.730 -0.494 1.00 1.00 C ATOM 0 H VAL A 55 -5.260 -3.366 2.165 1.00 1.00 H new ATOM 0 HA VAL A 55 -6.400 -0.798 1.345 1.00 1.00 H new ATOM 0 HB VAL A 55 -5.313 -0.970 -0.883 1.00 1.00 H new ATOM 0 HG11 VAL A 55 -3.015 -0.331 -0.239 1.00 1.00 H new ATOM 0 HG12 VAL A 55 -4.241 0.440 0.796 1.00 1.00 H new ATOM 0 HG13 VAL A 55 -3.313 -0.953 1.401 1.00 1.00 H new ATOM 0 HG21 VAL A 55 -3.422 -2.504 -1.226 1.00 1.00 H new ATOM 0 HG22 VAL A 55 -3.752 -3.244 0.358 1.00 1.00 H new ATOM 0 HG23 VAL A 55 -4.951 -3.371 -0.951 1.00 1.00 H new ATOM 849 N SER A 56 -7.787 -1.989 -0.511 1.00 1.00 N ATOM 850 CA SER A 56 -8.816 -2.648 -1.287 1.00 1.00 C ATOM 851 C SER A 56 -8.668 -2.226 -2.750 1.00 1.00 C ATOM 852 O SER A 56 -8.502 -1.050 -3.004 1.00 1.00 O ATOM 853 CB SER A 56 -10.172 -2.233 -0.754 1.00 1.00 C ATOM 854 OG SER A 56 -10.287 -0.838 -0.776 1.00 1.00 O ATOM 0 H SER A 56 -7.706 -0.992 -0.711 1.00 1.00 H new ATOM 0 HA SER A 56 -8.722 -3.731 -1.213 1.00 1.00 H new ATOM 0 HB2 SER A 56 -10.962 -2.681 -1.357 1.00 1.00 H new ATOM 0 HB3 SER A 56 -10.300 -2.601 0.264 1.00 1.00 H new ATOM 0 HG SER A 56 -9.658 -0.468 -1.430 1.00 1.00 H new ATOM 860 N LEU A 57 -8.668 -3.180 -3.685 1.00 1.00 N ATOM 861 CA LEU A 57 -8.455 -2.832 -5.101 1.00 1.00 C ATOM 862 C LEU A 57 -9.542 -1.885 -5.602 1.00 1.00 C ATOM 863 O LEU A 57 -10.712 -1.982 -5.228 1.00 1.00 O ATOM 864 CB LEU A 57 -8.374 -4.059 -5.993 1.00 1.00 C ATOM 865 CG LEU A 57 -7.297 -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 -4.446 -5.397 1.00 1.00 C ATOM 0 H LEU A 57 -8.808 -4.173 -3.500 1.00 1.00 H new ATOM 0 HA LEU A 57 -7.492 -2.324 -5.156 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -9.340 -4.564 -5.975 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -8.205 -3.731 -7.018 1.00 1.00 H new ATOM 0 HG LEU A 57 -7.598 -5.526 -4.684 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -6.413 -6.823 -6.494 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -8.138 -6.604 -6.871 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -6.916 -5.591 -7.675 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -5.233 -5.223 -5.138 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -5.628 -3.938 -6.305 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -6.018 -3.726 -4.582 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 0.016 -7.032 1.00 1.00 C ATOM 881 C GLY A 58 -10.582 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 -0.806 -6.709 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -9.564 0.528 -7.856 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -10.904 -0.529 -7.457 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 -5.689 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 3.060 -4.086 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 -6.565 1.00 1.00 C ATOM 892 OD1 ASN A 59 -11.872 5.643 -5.544 1.00 1.00 O ATOM 893 ND2 ASN A 59 -12.457 5.901 -7.690 1.00 1.00 N ATOM 894 OXT ASN A 59 -13.154 1.049 -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 -5.174 1.00 1.00 H new ATOM 0 HB2 ASN A 59 -12.952 3.439 -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 6.843 -7.727 1.00 1.00 H new ATOM 0 HD22 ASN A 59 -12.896 5.497 -8.517 1.00 1.00 H new