USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 385 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 CYS SG : rot -83:sc= 1.31 USER MOD Set 1.2: A 51 CYS SG : rot 150:sc= 1.95 USER MOD Set 2.1: A 40 ASN : amide:sc= -1.91! K(o=-1.4!,f=-0.2) USER MOD Set 2.2: A 48 THR OG1 : rot 97:sc= 0.472 USER MOD Set 3.1: A 13 CYS SG : rot 92:sc= 0.951 USER MOD Set 3.2: A 25 CYS SG : rot 74:sc= 2.37 USER MOD Set 3.3: A 38 CYS SG : rot -86:sc= 0.658 USER MOD Set 3.4: A 42 CYS SG : rot 149:sc= 1.86 USER MOD Set 4.1: A 31 ASN : amide:sc= 0.982 K(o=1.1,f=-0.35) USER MOD Set 4.2: A 32 SER OG : rot 99:sc= 0.138 USER MOD Set 5.1: A 27 ASN : amide:sc= 0.43 K(o=2.5,f=0.39!) USER MOD Set 5.2: A 34 CYS SG : rot -155:sc= 0.867 USER MOD Set 5.3: A 60 CYS SG : rot 72:sc= 1.23 USER MOD Set 6.1: A 15 TYR OH : rot -140:sc= 1.34 USER MOD Set 6.2: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 7.1: A 11 THR OG1 : rot 180:sc= 0.0152 USER MOD Set 7.2: A 12 ASN : amide:sc= -0.588 K(o=-0.57,f=0.025) USER MOD Single : A 6 HIS : no HD1:sc= -0.242 X(o=-0.24,f=-0.018) USER MOD Single : A 10 ASN : amide:sc= 0.0903 K(o=0.09,f=-1.3) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0.89 K(o=0.89,f=-0.29) USER MOD Single : A 26 THR OG1 : rot -83:sc= 1.24 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.0271 K(o=-0.027,f=-1.3) USER MOD Single : A 58 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.01) USER MOD Single : A 59 SER OG : rot 23:sc= 0.0199 USER MOD Single : A 62 ASN : amide:sc= -0.0591 X(o=-0.059,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -8.622 0.640 8.618 1.00 0.00 N ATOM 16 CA ASP A 2 -8.959 1.097 7.253 1.00 0.00 C ATOM 17 C ASP A 2 -7.797 1.911 6.641 1.00 0.00 C ATOM 18 O ASP A 2 -6.981 2.463 7.379 1.00 0.00 O ATOM 19 CB ASP A 2 -10.244 1.941 7.277 1.00 0.00 C ATOM 20 CG ASP A 2 -11.106 1.862 6.017 1.00 0.00 C ATOM 21 OD1 ASP A 2 -10.785 2.490 4.984 1.00 0.00 O ATOM 22 OD2 ASP A 2 -12.151 1.171 6.085 1.00 0.00 O ATOM 0 HA ASP A 2 -9.124 0.218 6.630 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -10.847 1.629 8.129 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.971 2.983 7.445 1.00 0.00 H new ATOM 27 N PRO A 3 -7.629 2.005 5.312 1.00 0.00 N ATOM 28 CA PRO A 3 -6.721 2.984 4.715 1.00 0.00 C ATOM 29 C PRO A 3 -7.275 4.407 4.816 1.00 0.00 C ATOM 30 O PRO A 3 -6.518 5.358 4.642 1.00 0.00 O ATOM 31 CB PRO A 3 -6.510 2.537 3.270 1.00 0.00 C ATOM 32 CG PRO A 3 -7.753 1.717 2.952 1.00 0.00 C ATOM 33 CD PRO A 3 -8.139 1.109 4.299 1.00 0.00 C ATOM 0 HA PRO A 3 -5.770 3.020 5.246 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.412 3.390 2.599 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -5.602 1.943 3.165 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.552 2.340 2.550 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -7.545 0.947 2.209 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -9.221 1.004 4.382 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.713 0.112 4.412 1.00 0.00 H new ATOM 41 N GLU A 4 -8.563 4.538 5.148 1.00 0.00 N ATOM 42 CA GLU A 4 -9.276 5.806 5.322 1.00 0.00 C ATOM 43 C GLU A 4 -8.465 6.823 6.128 1.00 0.00 C ATOM 44 O GLU A 4 -8.328 7.977 5.733 1.00 0.00 O ATOM 45 CB GLU A 4 -10.591 5.547 6.076 1.00 0.00 C ATOM 46 CG GLU A 4 -11.543 6.752 6.108 1.00 0.00 C ATOM 47 CD GLU A 4 -12.373 6.789 4.827 1.00 0.00 C ATOM 48 OE1 GLU A 4 -11.864 7.221 3.769 1.00 0.00 O ATOM 49 OE2 GLU A 4 -13.517 6.266 4.855 1.00 0.00 O ATOM 0 H GLU A 4 -9.162 3.728 5.310 1.00 0.00 H new ATOM 0 HA GLU A 4 -9.455 6.215 4.328 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -11.104 4.705 5.612 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.359 5.254 7.100 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.199 6.686 6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.973 7.675 6.210 1.00 0.00 H new ATOM 56 N GLU A 5 -7.974 6.411 7.297 1.00 0.00 N ATOM 57 CA GLU A 5 -7.456 7.310 8.323 1.00 0.00 C ATOM 58 C GLU A 5 -5.941 7.173 8.454 1.00 0.00 C ATOM 59 O GLU A 5 -5.382 7.445 9.515 1.00 0.00 O ATOM 60 CB GLU A 5 -8.251 7.129 9.631 1.00 0.00 C ATOM 61 CG GLU A 5 -9.742 7.404 9.377 1.00 0.00 C ATOM 62 CD GLU A 5 -10.560 7.719 10.626 1.00 0.00 C ATOM 63 OE1 GLU A 5 -11.092 6.779 11.259 1.00 0.00 O ATOM 64 OE2 GLU A 5 -10.844 8.920 10.866 1.00 0.00 O ATOM 0 H GLU A 5 -7.925 5.427 7.560 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.609 8.349 8.031 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.118 6.116 10.011 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.872 7.808 10.395 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.829 8.240 8.683 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.178 6.535 8.885 1.00 0.00 H new ATOM 71 N HIS A 6 -5.287 6.710 7.383 1.00 0.00 N ATOM 72 CA HIS A 6 -3.863 6.446 7.363 1.00 0.00 C ATOM 73 C HIS A 6 -3.264 6.862 6.026 1.00 0.00 C ATOM 74 O HIS A 6 -3.465 6.197 5.011 1.00 0.00 O ATOM 75 CB HIS A 6 -3.620 4.960 7.636 1.00 0.00 C ATOM 76 CG HIS A 6 -3.876 4.596 9.073 1.00 0.00 C ATOM 77 ND1 HIS A 6 -2.937 4.680 10.073 1.00 0.00 N ATOM 78 CD2 HIS A 6 -5.078 4.247 9.636 1.00 0.00 C ATOM 79 CE1 HIS A 6 -3.551 4.343 11.217 1.00 0.00 C ATOM 80 NE2 HIS A 6 -4.843 4.035 11.004 1.00 0.00 N ATOM 0 H HIS A 6 -5.749 6.508 6.496 1.00 0.00 H new ATOM 0 HA HIS A 6 -3.374 7.031 8.141 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -4.266 4.364 6.992 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -2.592 4.708 7.377 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.024 4.153 9.124 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -3.070 4.322 12.184 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -5.517 3.712 11.698 1.00 0.00 H new ATOM 88 N PHE A 7 -2.475 7.927 6.045 1.00 0.00 N ATOM 89 CA PHE A 7 -1.502 8.291 5.029 1.00 0.00 C ATOM 90 C PHE A 7 -0.240 8.688 5.792 1.00 0.00 C ATOM 91 O PHE A 7 -0.338 9.421 6.778 1.00 0.00 O ATOM 92 CB PHE A 7 -2.027 9.456 4.167 1.00 0.00 C ATOM 93 CG PHE A 7 -2.191 9.125 2.699 1.00 0.00 C ATOM 94 CD1 PHE A 7 -1.066 8.782 1.925 1.00 0.00 C ATOM 95 CD2 PHE A 7 -3.461 9.169 2.095 1.00 0.00 C ATOM 96 CE1 PHE A 7 -1.205 8.482 0.561 1.00 0.00 C ATOM 97 CE2 PHE A 7 -3.603 8.846 0.736 1.00 0.00 C ATOM 98 CZ PHE A 7 -2.479 8.492 -0.031 1.00 0.00 C ATOM 0 H PHE A 7 -2.499 8.597 6.814 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.304 7.468 4.342 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.989 9.780 4.563 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.343 10.299 4.262 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.089 8.750 2.384 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.326 9.451 2.676 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.334 8.244 -0.032 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.581 8.870 0.277 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.595 8.229 -1.072 1.00 0.00 H new ATOM 108 N ASP A 8 0.923 8.194 5.385 1.00 0.00 N ATOM 109 CA ASP A 8 2.230 8.753 5.728 1.00 0.00 C ATOM 110 C ASP A 8 3.114 8.595 4.482 1.00 0.00 C ATOM 111 O ASP A 8 3.959 7.700 4.432 1.00 0.00 O ATOM 112 CB ASP A 8 2.854 8.097 6.980 1.00 0.00 C ATOM 113 CG ASP A 8 4.183 8.771 7.354 1.00 0.00 C ATOM 114 OD1 ASP A 8 4.543 9.848 6.821 1.00 0.00 O ATOM 115 OD2 ASP A 8 4.834 8.269 8.301 1.00 0.00 O ATOM 0 H ASP A 8 0.987 7.369 4.789 1.00 0.00 H new ATOM 0 HA ASP A 8 2.131 9.804 6.000 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.159 8.168 7.816 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.021 7.036 6.794 1.00 0.00 H new ATOM 120 N PRO A 9 2.854 9.363 3.405 1.00 0.00 N ATOM 121 CA PRO A 9 3.575 9.199 2.161 1.00 0.00 C ATOM 122 C PRO A 9 4.964 9.796 2.291 1.00 0.00 C ATOM 123 O PRO A 9 5.115 10.999 2.518 1.00 0.00 O ATOM 124 CB PRO A 9 2.756 9.896 1.084 1.00 0.00 C ATOM 125 CG PRO A 9 1.875 10.892 1.838 1.00 0.00 C ATOM 126 CD PRO A 9 1.920 10.475 3.311 1.00 0.00 C ATOM 0 HA PRO A 9 3.707 8.148 1.902 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.400 10.404 0.366 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.153 9.182 0.523 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.242 11.910 1.711 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.853 10.872 1.459 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.244 11.306 3.938 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.930 10.179 3.659 1.00 0.00 H new ATOM 134 N ASN A 10 5.983 8.968 2.090 1.00 0.00 N ATOM 135 CA ASN A 10 7.357 9.439 1.998 1.00 0.00 C ATOM 136 C ASN A 10 7.543 10.212 0.695 1.00 0.00 C ATOM 137 O ASN A 10 6.632 10.306 -0.135 1.00 0.00 O ATOM 138 CB ASN A 10 8.343 8.261 2.051 1.00 0.00 C ATOM 139 CG ASN A 10 8.273 7.483 3.352 1.00 0.00 C ATOM 140 OD1 ASN A 10 7.763 7.960 4.354 1.00 0.00 O ATOM 141 ND2 ASN A 10 8.833 6.295 3.370 1.00 0.00 N ATOM 0 H ASN A 10 5.880 7.958 1.987 1.00 0.00 H new ATOM 0 HA ASN A 10 7.560 10.093 2.846 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.138 7.586 1.220 1.00 0.00 H new ATOM 0 HB3 ASN A 10 9.357 8.637 1.914 1.00 0.00 H new ATOM 0 HD21 ASN A 10 8.848 5.751 4.233 1.00 0.00 H new ATOM 0 HD22 ASN A 10 9.253 5.916 2.521 1.00 0.00 H new ATOM 148 N THR A 11 8.778 10.659 0.464 1.00 0.00 N ATOM 149 CA THR A 11 9.282 11.278 -0.762 1.00 0.00 C ATOM 150 C THR A 11 9.297 10.311 -1.970 1.00 0.00 C ATOM 151 O THR A 11 10.123 10.453 -2.870 1.00 0.00 O ATOM 152 CB THR A 11 10.653 11.912 -0.469 1.00 0.00 C ATOM 153 OG1 THR A 11 11.524 10.980 0.151 1.00 0.00 O ATOM 154 CG2 THR A 11 10.554 13.130 0.455 1.00 0.00 C ATOM 0 H THR A 11 9.503 10.593 1.179 1.00 0.00 H new ATOM 0 HA THR A 11 8.593 12.065 -1.069 1.00 0.00 H new ATOM 0 HB THR A 11 11.042 12.225 -1.438 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.389 11.406 0.325 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.550 13.537 0.628 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.927 13.890 -0.011 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.114 12.830 1.406 1.00 0.00 H new ATOM 162 N ASN A 12 8.467 9.262 -1.940 1.00 0.00 N ATOM 163 CA ASN A 12 8.476 8.090 -2.796 1.00 0.00 C ATOM 164 C ASN A 12 7.055 7.748 -3.275 1.00 0.00 C ATOM 165 O ASN A 12 6.925 6.967 -4.218 1.00 0.00 O ATOM 166 CB ASN A 12 9.018 6.889 -1.997 1.00 0.00 C ATOM 167 CG ASN A 12 10.512 6.902 -1.691 1.00 0.00 C ATOM 168 OD1 ASN A 12 11.269 6.037 -2.126 1.00 0.00 O ATOM 169 ND2 ASN A 12 10.962 7.852 -0.892 1.00 0.00 N ATOM 0 H ASN A 12 7.712 9.216 -1.256 1.00 0.00 H new ATOM 0 HA ASN A 12 9.104 8.301 -3.661 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.476 6.833 -1.053 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.790 5.978 -2.551 1.00 0.00 H new ATOM 0 HD21 ASN A 12 11.947 7.873 -0.630 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.324 8.565 -0.537 1.00 0.00 H new ATOM 176 N CYS A 13 5.987 8.238 -2.626 1.00 0.00 N ATOM 177 CA CYS A 13 4.612 8.088 -3.106 1.00 0.00 C ATOM 178 C CYS A 13 4.345 9.068 -4.265 1.00 0.00 C ATOM 179 O CYS A 13 5.209 9.875 -4.631 1.00 0.00 O ATOM 180 CB CYS A 13 3.663 8.352 -1.927 1.00 0.00 C ATOM 181 SG CYS A 13 1.922 7.913 -2.172 1.00 0.00 S ATOM 0 H CYS A 13 6.058 8.752 -1.748 1.00 0.00 H new ATOM 0 HA CYS A 13 4.448 7.080 -3.486 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.034 7.803 -1.062 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.715 9.412 -1.678 1.00 0.00 H new ATOM 0 HG CYS A 13 1.720 6.695 -1.764 1.00 0.00 H new ATOM 186 N ASP A 14 3.144 9.034 -4.845 1.00 0.00 N ATOM 187 CA ASP A 14 2.584 10.125 -5.649 1.00 0.00 C ATOM 188 C ASP A 14 1.123 10.374 -5.287 1.00 0.00 C ATOM 189 O ASP A 14 0.768 11.506 -4.950 1.00 0.00 O ATOM 190 CB ASP A 14 2.736 9.860 -7.147 1.00 0.00 C ATOM 191 CG ASP A 14 2.404 11.099 -7.980 1.00 0.00 C ATOM 192 OD1 ASP A 14 1.206 11.384 -8.208 1.00 0.00 O ATOM 193 OD2 ASP A 14 3.356 11.752 -8.467 1.00 0.00 O ATOM 0 H ASP A 14 2.519 8.231 -4.768 1.00 0.00 H new ATOM 0 HA ASP A 14 3.153 11.025 -5.417 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.757 9.543 -7.358 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.081 9.039 -7.439 1.00 0.00 H new ATOM 198 N TYR A 15 0.299 9.319 -5.331 1.00 0.00 N ATOM 199 CA TYR A 15 -1.142 9.398 -5.124 1.00 0.00 C ATOM 200 C TYR A 15 -1.494 9.881 -3.715 1.00 0.00 C ATOM 201 O TYR A 15 -0.835 9.541 -2.732 1.00 0.00 O ATOM 202 CB TYR A 15 -1.769 8.013 -5.345 1.00 0.00 C ATOM 203 CG TYR A 15 -1.672 7.480 -6.758 1.00 0.00 C ATOM 204 CD1 TYR A 15 -2.297 8.177 -7.805 1.00 0.00 C ATOM 205 CD2 TYR A 15 -0.997 6.274 -7.025 1.00 0.00 C ATOM 206 CE1 TYR A 15 -2.246 7.684 -9.120 1.00 0.00 C ATOM 207 CE2 TYR A 15 -0.933 5.782 -8.343 1.00 0.00 C ATOM 208 CZ TYR A 15 -1.556 6.487 -9.399 1.00 0.00 C ATOM 209 OH TYR A 15 -1.530 6.011 -10.676 1.00 0.00 O ATOM 0 H TYR A 15 0.628 8.371 -5.515 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.537 10.119 -5.839 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.289 7.303 -4.672 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.821 8.059 -5.062 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.821 9.099 -7.598 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.529 5.727 -6.220 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.736 8.223 -9.918 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.406 4.862 -8.548 1.00 0.00 H new ATOM 0 HH TYR A 15 -1.624 5.036 -10.663 1.00 0.00 H new ATOM 219 N THR A 16 -2.634 10.560 -3.597 1.00 0.00 N ATOM 220 CA THR A 16 -3.172 11.057 -2.338 1.00 0.00 C ATOM 221 C THR A 16 -4.604 10.553 -2.102 1.00 0.00 C ATOM 222 O THR A 16 -5.387 11.226 -1.431 1.00 0.00 O ATOM 223 CB THR A 16 -3.020 12.589 -2.242 1.00 0.00 C ATOM 224 OG1 THR A 16 -3.831 13.276 -3.178 1.00 0.00 O ATOM 225 CG2 THR A 16 -1.583 13.076 -2.466 1.00 0.00 C ATOM 0 H THR A 16 -3.223 10.784 -4.399 1.00 0.00 H new ATOM 0 HA THR A 16 -2.584 10.647 -1.517 1.00 0.00 H new ATOM 0 HB THR A 16 -3.332 12.813 -1.222 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.701 14.242 -3.077 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.550 14.162 -2.384 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.928 12.636 -1.714 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.248 12.777 -3.459 1.00 0.00 H new ATOM 233 N ASN A 17 -4.975 9.402 -2.678 1.00 0.00 N ATOM 234 CA ASN A 17 -6.252 8.740 -2.419 1.00 0.00 C ATOM 235 C ASN A 17 -5.943 7.435 -1.705 1.00 0.00 C ATOM 236 O ASN A 17 -4.939 6.785 -2.013 1.00 0.00 O ATOM 237 CB ASN A 17 -7.027 8.387 -3.694 1.00 0.00 C ATOM 238 CG ASN A 17 -7.521 9.567 -4.505 1.00 0.00 C ATOM 239 OD1 ASN A 17 -8.676 9.973 -4.411 1.00 0.00 O ATOM 240 ND2 ASN A 17 -6.662 10.109 -5.345 1.00 0.00 N ATOM 0 H ASN A 17 -4.387 8.902 -3.344 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.868 9.426 -1.838 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.387 7.774 -4.329 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.885 7.773 -3.419 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.951 10.887 -5.939 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.709 9.751 -5.401 1.00 0.00 H new ATOM 247 N SER A 18 -6.855 7.034 -0.831 1.00 0.00 N ATOM 248 CA SER A 18 -6.783 5.840 -0.007 1.00 0.00 C ATOM 249 C SER A 18 -6.999 4.571 -0.830 1.00 0.00 C ATOM 250 O SER A 18 -6.643 3.490 -0.365 1.00 0.00 O ATOM 251 CB SER A 18 -7.855 5.926 1.089 1.00 0.00 C ATOM 252 OG SER A 18 -7.654 7.040 1.939 1.00 0.00 O ATOM 0 H SER A 18 -7.712 7.564 -0.670 1.00 0.00 H new ATOM 0 HA SER A 18 -5.787 5.787 0.432 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.840 5.994 0.628 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.843 5.011 1.681 1.00 0.00 H new ATOM 0 HG SER A 18 -8.357 7.061 2.622 1.00 0.00 H new ATOM 258 N GLN A 19 -7.568 4.676 -2.038 1.00 0.00 N ATOM 259 CA GLN A 19 -7.760 3.535 -2.919 1.00 0.00 C ATOM 260 C GLN A 19 -6.646 3.470 -3.961 1.00 0.00 C ATOM 261 O GLN A 19 -6.077 2.399 -4.124 1.00 0.00 O ATOM 262 CB GLN A 19 -9.166 3.555 -3.533 1.00 0.00 C ATOM 263 CG GLN A 19 -9.607 2.190 -4.085 1.00 0.00 C ATOM 264 CD GLN A 19 -9.757 1.122 -2.996 1.00 0.00 C ATOM 265 OE1 GLN A 19 -10.653 1.157 -2.153 1.00 0.00 O ATOM 266 NE2 GLN A 19 -8.901 0.120 -2.957 1.00 0.00 N ATOM 0 H GLN A 19 -7.905 5.558 -2.425 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.693 2.615 -2.338 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.880 3.882 -2.777 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.194 4.291 -4.337 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.557 2.305 -4.606 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.879 1.850 -4.821 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.148 0.065 -3.643 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.992 -0.600 -2.241 1.00 0.00 H new ATOM 275 N ASP A 20 -6.269 4.574 -4.626 1.00 0.00 N ATOM 276 CA ASP A 20 -5.236 4.526 -5.667 1.00 0.00 C ATOM 277 C ASP A 20 -3.905 4.091 -5.059 1.00 0.00 C ATOM 278 O ASP A 20 -3.312 3.119 -5.520 1.00 0.00 O ATOM 279 CB ASP A 20 -5.075 5.884 -6.381 1.00 0.00 C ATOM 280 CG ASP A 20 -6.117 6.189 -7.468 1.00 0.00 C ATOM 281 OD1 ASP A 20 -7.252 5.656 -7.413 1.00 0.00 O ATOM 282 OD2 ASP A 20 -5.847 7.046 -8.341 1.00 0.00 O ATOM 0 H ASP A 20 -6.661 5.501 -4.462 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.552 3.798 -6.414 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.115 6.675 -5.632 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.084 5.922 -6.832 1.00 0.00 H new ATOM 287 N ALA A 21 -3.424 4.770 -4.007 1.00 0.00 N ATOM 288 CA ALA A 21 -2.134 4.423 -3.420 1.00 0.00 C ATOM 289 C ALA A 21 -2.127 2.964 -2.961 1.00 0.00 C ATOM 290 O ALA A 21 -1.200 2.219 -3.290 1.00 0.00 O ATOM 291 CB ALA A 21 -1.786 5.376 -2.274 1.00 0.00 C ATOM 0 H ALA A 21 -3.904 5.549 -3.556 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.364 4.533 -4.183 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.820 5.099 -1.851 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.737 6.397 -2.652 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.552 5.312 -1.502 1.00 0.00 H new ATOM 297 N TRP A 22 -3.179 2.563 -2.242 1.00 0.00 N ATOM 298 CA TRP A 22 -3.396 1.209 -1.761 1.00 0.00 C ATOM 299 C TRP A 22 -3.342 0.207 -2.909 1.00 0.00 C ATOM 300 O TRP A 22 -2.597 -0.767 -2.844 1.00 0.00 O ATOM 301 CB TRP A 22 -4.762 1.155 -1.068 1.00 0.00 C ATOM 302 CG TRP A 22 -5.210 -0.178 -0.564 1.00 0.00 C ATOM 303 CD1 TRP A 22 -5.843 -1.126 -1.289 1.00 0.00 C ATOM 304 CD2 TRP A 22 -5.112 -0.704 0.788 1.00 0.00 C ATOM 305 NE1 TRP A 22 -6.152 -2.192 -0.469 1.00 0.00 N ATOM 306 CE2 TRP A 22 -5.736 -1.982 0.830 1.00 0.00 C ATOM 307 CE3 TRP A 22 -4.574 -0.211 1.991 1.00 0.00 C ATOM 308 CZ2 TRP A 22 -5.825 -2.726 2.015 1.00 0.00 C ATOM 309 CZ3 TRP A 22 -4.697 -0.923 3.194 1.00 0.00 C ATOM 310 CH2 TRP A 22 -5.308 -2.183 3.200 1.00 0.00 C ATOM 0 H TRP A 22 -3.927 3.202 -1.972 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.608 0.942 -1.057 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -4.743 1.848 -0.226 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -5.512 1.523 -1.767 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -6.071 -1.060 -2.343 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -6.631 -3.035 -0.785 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -4.055 0.736 1.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -6.285 -3.703 2.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.321 -0.500 4.114 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -5.381 -2.740 4.123 1.00 0.00 H new ATOM 321 N ASP A 23 -4.149 0.393 -3.949 1.00 0.00 N ATOM 322 CA ASP A 23 -4.302 -0.560 -5.044 1.00 0.00 C ATOM 323 C ASP A 23 -2.937 -0.824 -5.670 1.00 0.00 C ATOM 324 O ASP A 23 -2.547 -1.976 -5.866 1.00 0.00 O ATOM 325 CB ASP A 23 -5.320 -0.042 -6.076 1.00 0.00 C ATOM 326 CG ASP A 23 -6.777 -0.361 -5.703 1.00 0.00 C ATOM 327 OD1 ASP A 23 -7.030 -0.948 -4.627 1.00 0.00 O ATOM 328 OD2 ASP A 23 -7.684 -0.029 -6.502 1.00 0.00 O ATOM 0 H ASP A 23 -4.727 1.227 -4.057 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.693 -1.503 -4.662 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.206 1.037 -6.179 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.097 -0.480 -7.049 1.00 0.00 H new ATOM 333 N TYR A 24 -2.155 0.225 -5.903 1.00 0.00 N ATOM 334 CA TYR A 24 -0.844 0.101 -6.498 1.00 0.00 C ATOM 335 C TYR A 24 0.098 -0.619 -5.510 1.00 0.00 C ATOM 336 O TYR A 24 0.716 -1.615 -5.893 1.00 0.00 O ATOM 337 CB TYR A 24 -0.380 1.492 -6.957 1.00 0.00 C ATOM 338 CG TYR A 24 -1.059 1.986 -8.236 1.00 0.00 C ATOM 339 CD1 TYR A 24 -2.462 2.126 -8.312 1.00 0.00 C ATOM 340 CD2 TYR A 24 -0.288 2.330 -9.366 1.00 0.00 C ATOM 341 CE1 TYR A 24 -3.086 2.602 -9.468 1.00 0.00 C ATOM 342 CE2 TYR A 24 -0.907 2.789 -10.548 1.00 0.00 C ATOM 343 CZ TYR A 24 -2.313 2.934 -10.592 1.00 0.00 C ATOM 344 OH TYR A 24 -2.947 3.347 -11.723 1.00 0.00 O ATOM 0 H TYR A 24 -2.420 1.185 -5.681 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.850 -0.522 -7.392 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.569 2.209 -6.158 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.698 1.470 -7.116 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.066 1.859 -7.458 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.788 2.241 -9.326 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.160 2.714 -9.497 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.310 3.029 -11.415 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.283 3.543 -12.417 1.00 0.00 H new ATOM 354 N CYS A 25 0.144 -0.208 -4.230 1.00 0.00 N ATOM 355 CA CYS A 25 0.957 -0.861 -3.187 1.00 0.00 C ATOM 356 C CYS A 25 0.690 -2.367 -3.077 1.00 0.00 C ATOM 357 O CYS A 25 1.606 -3.174 -2.911 1.00 0.00 O ATOM 358 CB CYS A 25 0.665 -0.275 -1.792 1.00 0.00 C ATOM 359 SG CYS A 25 1.124 1.437 -1.441 1.00 0.00 S ATOM 0 H CYS A 25 -0.386 0.593 -3.887 1.00 0.00 H new ATOM 0 HA CYS A 25 1.988 -0.682 -3.491 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.406 -0.371 -1.614 1.00 0.00 H new ATOM 0 HB3 CYS A 25 1.168 -0.906 -1.059 1.00 0.00 H new ATOM 0 HG CYS A 25 0.301 2.240 -2.047 1.00 0.00 H new ATOM 364 N THR A 26 -0.585 -2.742 -3.114 1.00 0.00 N ATOM 365 CA THR A 26 -1.078 -4.080 -2.798 1.00 0.00 C ATOM 366 C THR A 26 -0.993 -4.993 -4.033 1.00 0.00 C ATOM 367 O THR A 26 -1.328 -6.178 -3.966 1.00 0.00 O ATOM 368 CB THR A 26 -2.457 -3.944 -2.136 1.00 0.00 C ATOM 369 OG1 THR A 26 -3.408 -3.368 -3.010 1.00 0.00 O ATOM 370 CG2 THR A 26 -2.343 -3.085 -0.869 1.00 0.00 C ATOM 0 H THR A 26 -1.332 -2.098 -3.375 1.00 0.00 H new ATOM 0 HA THR A 26 -0.451 -4.591 -2.067 1.00 0.00 H new ATOM 0 HB THR A 26 -2.799 -4.947 -1.881 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.318 -2.392 -2.994 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.324 -2.992 -0.403 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.653 -3.557 -0.170 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.971 -2.095 -1.133 1.00 0.00 H new ATOM 378 N ASN A 27 -0.476 -4.462 -5.155 1.00 0.00 N ATOM 379 CA ASN A 27 -0.431 -5.091 -6.469 1.00 0.00 C ATOM 380 C ASN A 27 -1.838 -5.500 -6.922 1.00 0.00 C ATOM 381 O ASN A 27 -2.024 -6.534 -7.563 1.00 0.00 O ATOM 382 CB ASN A 27 0.575 -6.245 -6.456 1.00 0.00 C ATOM 383 CG ASN A 27 0.996 -6.698 -7.845 1.00 0.00 C ATOM 384 OD1 ASN A 27 1.905 -6.130 -8.437 1.00 0.00 O ATOM 385 ND2 ASN A 27 0.413 -7.764 -8.357 1.00 0.00 N ATOM 0 H ASN A 27 -0.058 -3.532 -5.160 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.078 -4.378 -7.214 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.460 -5.939 -5.899 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.139 -7.090 -5.923 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.718 -8.128 -9.260 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -0.343 -8.225 -7.850 1.00 0.00 H new ATOM 392 N TYR A 28 -2.835 -4.685 -6.569 1.00 0.00 N ATOM 393 CA TYR A 28 -4.111 -4.648 -7.256 1.00 0.00 C ATOM 394 C TYR A 28 -3.887 -4.148 -8.676 1.00 0.00 C ATOM 395 O TYR A 28 -4.501 -4.656 -9.610 1.00 0.00 O ATOM 396 CB TYR A 28 -5.060 -3.713 -6.504 1.00 0.00 C ATOM 397 CG TYR A 28 -6.511 -3.823 -6.895 1.00 0.00 C ATOM 398 CD1 TYR A 28 -7.318 -4.849 -6.382 1.00 0.00 C ATOM 399 CD2 TYR A 28 -7.075 -2.858 -7.740 1.00 0.00 C ATOM 400 CE1 TYR A 28 -8.666 -4.940 -6.752 1.00 0.00 C ATOM 401 CE2 TYR A 28 -8.418 -2.936 -8.128 1.00 0.00 C ATOM 402 CZ TYR A 28 -9.230 -3.983 -7.634 1.00 0.00 C ATOM 403 OH TYR A 28 -10.545 -4.049 -7.988 1.00 0.00 O ATOM 0 H TYR A 28 -2.770 -4.030 -5.790 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.554 -5.643 -7.291 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.972 -3.913 -5.436 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -4.734 -2.685 -6.663 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.898 -5.572 -5.699 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.465 -2.042 -8.097 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.278 -5.741 -6.365 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.832 -2.200 -8.801 1.00 0.00 H new ATOM 0 HH TYR A 28 -10.757 -3.312 -8.598 1.00 0.00 H new ATOM 413 N ILE A 29 -2.981 -3.180 -8.838 1.00 0.00 N ATOM 414 CA ILE A 29 -2.583 -2.593 -10.105 1.00 0.00 C ATOM 415 C ILE A 29 -1.085 -2.853 -10.231 1.00 0.00 C ATOM 416 O ILE A 29 -0.292 -2.368 -9.424 1.00 0.00 O ATOM 417 CB ILE A 29 -2.975 -1.105 -10.162 1.00 0.00 C ATOM 418 CG1 ILE A 29 -4.493 -0.915 -9.970 1.00 0.00 C ATOM 419 CG2 ILE A 29 -2.520 -0.464 -11.479 1.00 0.00 C ATOM 420 CD1 ILE A 29 -5.402 -1.438 -11.091 1.00 0.00 C ATOM 0 H ILE A 29 -2.486 -2.770 -8.046 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.096 -3.037 -10.958 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.464 -0.604 -9.340 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.782 -1.406 -9.041 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.689 0.150 -9.842 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.810 0.587 -11.492 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.436 -0.542 -11.566 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.990 -0.980 -12.316 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.444 -1.244 -10.835 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.157 -0.931 -12.024 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.252 -2.511 -11.210 1.00 0.00 H new ATOM 432 N VAL A 30 -0.711 -3.705 -11.178 1.00 0.00 N ATOM 433 CA VAL A 30 0.658 -4.105 -11.471 1.00 0.00 C ATOM 434 C VAL A 30 1.443 -2.933 -12.039 1.00 0.00 C ATOM 435 O VAL A 30 1.259 -2.551 -13.198 1.00 0.00 O ATOM 436 CB VAL A 30 0.674 -5.325 -12.411 1.00 0.00 C ATOM 437 CG1 VAL A 30 0.747 -6.577 -11.538 1.00 0.00 C ATOM 438 CG2 VAL A 30 -0.537 -5.388 -13.357 1.00 0.00 C ATOM 0 H VAL A 30 -1.388 -4.157 -11.792 1.00 0.00 H new ATOM 0 HA VAL A 30 1.148 -4.405 -10.545 1.00 0.00 H new ATOM 0 HB VAL A 30 1.541 -5.246 -13.066 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.760 -7.463 -12.173 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.655 -6.548 -10.936 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.122 -6.614 -10.881 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.459 -6.272 -13.989 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.454 -5.441 -12.771 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.557 -4.495 -13.982 1.00 0.00 H new ATOM 448 N ASN A 31 2.320 -2.360 -11.221 1.00 0.00 N ATOM 449 CA ASN A 31 2.967 -1.085 -11.508 1.00 0.00 C ATOM 450 C ASN A 31 4.461 -1.161 -11.218 1.00 0.00 C ATOM 451 O ASN A 31 5.271 -0.811 -12.077 1.00 0.00 O ATOM 452 CB ASN A 31 2.259 0.068 -10.766 1.00 0.00 C ATOM 453 CG ASN A 31 2.483 0.084 -9.259 1.00 0.00 C ATOM 454 OD1 ASN A 31 3.217 0.917 -8.748 1.00 0.00 O ATOM 455 ND2 ASN A 31 1.885 -0.827 -8.512 1.00 0.00 N ATOM 0 H ASN A 31 2.604 -2.772 -10.332 1.00 0.00 H new ATOM 0 HA ASN A 31 2.871 -0.868 -12.572 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.603 1.015 -11.181 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.188 0.005 -10.960 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.035 -0.838 -7.503 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.274 -1.520 -8.944 1.00 0.00 H new ATOM 462 N SER A 32 4.839 -1.669 -10.047 1.00 0.00 N ATOM 463 CA SER A 32 6.190 -1.571 -9.507 1.00 0.00 C ATOM 464 C SER A 32 6.559 -2.828 -8.706 1.00 0.00 C ATOM 465 O SER A 32 5.824 -3.824 -8.727 1.00 0.00 O ATOM 466 CB SER A 32 6.244 -0.300 -8.652 1.00 0.00 C ATOM 467 OG SER A 32 6.178 0.825 -9.505 1.00 0.00 O ATOM 0 H SER A 32 4.198 -2.172 -9.434 1.00 0.00 H new ATOM 0 HA SER A 32 6.926 -1.507 -10.309 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.416 -0.286 -7.944 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.164 -0.277 -8.067 1.00 0.00 H new ATOM 0 HG SER A 32 5.261 1.171 -9.519 1.00 0.00 H new ATOM 473 N SER A 33 7.683 -2.793 -7.980 1.00 0.00 N ATOM 474 CA SER A 33 8.041 -3.808 -6.993 1.00 0.00 C ATOM 475 C SER A 33 7.034 -3.898 -5.832 1.00 0.00 C ATOM 476 O SER A 33 7.162 -4.831 -5.036 1.00 0.00 O ATOM 477 CB SER A 33 9.464 -3.552 -6.467 1.00 0.00 C ATOM 478 OG SER A 33 10.387 -4.514 -6.952 1.00 0.00 O ATOM 0 H SER A 33 8.375 -2.048 -8.066 1.00 0.00 H new ATOM 0 HA SER A 33 8.010 -4.773 -7.498 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.788 -2.555 -6.766 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.458 -3.572 -5.377 1.00 0.00 H new ATOM 0 HG SER A 33 11.280 -4.318 -6.598 1.00 0.00 H new ATOM 484 N CYS A 34 6.031 -3.001 -5.756 1.00 0.00 N ATOM 485 CA CYS A 34 4.931 -3.007 -4.787 1.00 0.00 C ATOM 486 C CYS A 34 5.414 -3.375 -3.368 1.00 0.00 C ATOM 487 O CYS A 34 6.470 -2.897 -2.937 1.00 0.00 O ATOM 488 CB CYS A 34 3.764 -3.819 -5.393 1.00 0.00 C ATOM 489 SG CYS A 34 4.203 -5.342 -6.278 1.00 0.00 S ATOM 0 H CYS A 34 5.968 -2.216 -6.404 1.00 0.00 H new ATOM 0 HA CYS A 34 4.527 -2.010 -4.611 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.077 -4.079 -4.588 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.220 -3.171 -6.080 1.00 0.00 H new ATOM 0 HG CYS A 34 3.277 -5.621 -7.147 1.00 0.00 H new ATOM 494 N GLY A 35 4.632 -4.138 -2.610 1.00 0.00 N ATOM 495 CA GLY A 35 5.078 -4.828 -1.411 1.00 0.00 C ATOM 496 C GLY A 35 4.980 -3.961 -0.159 1.00 0.00 C ATOM 497 O GLY A 35 4.444 -2.846 -0.172 1.00 0.00 O ATOM 0 H GLY A 35 3.646 -4.295 -2.821 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.480 -5.728 -1.272 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.111 -5.149 -1.545 1.00 0.00 H new ATOM 501 N GLU A 36 5.463 -4.501 0.962 1.00 0.00 N ATOM 502 CA GLU A 36 5.466 -3.821 2.250 1.00 0.00 C ATOM 503 C GLU A 36 6.224 -2.503 2.196 1.00 0.00 C ATOM 504 O GLU A 36 5.840 -1.563 2.882 1.00 0.00 O ATOM 505 CB GLU A 36 6.035 -4.702 3.360 1.00 0.00 C ATOM 506 CG GLU A 36 7.549 -4.939 3.375 1.00 0.00 C ATOM 507 CD GLU A 36 7.891 -5.842 4.556 1.00 0.00 C ATOM 508 OE1 GLU A 36 7.850 -7.085 4.381 1.00 0.00 O ATOM 509 OE2 GLU A 36 8.081 -5.350 5.689 1.00 0.00 O ATOM 0 H GLU A 36 5.868 -5.437 0.996 1.00 0.00 H new ATOM 0 HA GLU A 36 4.422 -3.608 2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.755 -4.260 4.316 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.544 -5.673 3.302 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.868 -5.401 2.441 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.079 -3.990 3.459 1.00 0.00 H new ATOM 516 N ILE A 37 7.259 -2.425 1.360 1.00 0.00 N ATOM 517 CA ILE A 37 8.033 -1.215 1.120 1.00 0.00 C ATOM 518 C ILE A 37 7.090 -0.131 0.611 1.00 0.00 C ATOM 519 O ILE A 37 7.084 0.985 1.116 1.00 0.00 O ATOM 520 CB ILE A 37 9.171 -1.488 0.136 1.00 0.00 C ATOM 521 CG1 ILE A 37 10.085 -2.539 0.801 1.00 0.00 C ATOM 522 CG2 ILE A 37 9.900 -0.160 -0.183 1.00 0.00 C ATOM 523 CD1 ILE A 37 11.279 -2.896 -0.055 1.00 0.00 C ATOM 0 H ILE A 37 7.588 -3.224 0.819 1.00 0.00 H new ATOM 0 HA ILE A 37 8.496 -0.875 2.046 1.00 0.00 H new ATOM 0 HB ILE A 37 8.820 -1.879 -0.819 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.432 -2.158 1.761 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.507 -3.440 1.006 1.00 0.00 H new ATOM 0 HG21 ILE A 37 10.712 -0.350 -0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.196 0.544 -0.626 1.00 0.00 H new ATOM 0 HG23 ILE A 37 10.306 0.262 0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.887 -3.639 0.461 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.936 -3.305 -1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.875 -2.002 -0.238 1.00 0.00 H new ATOM 535 N CYS A 38 6.265 -0.459 -0.383 1.00 0.00 N ATOM 536 CA CYS A 38 5.375 0.520 -0.967 1.00 0.00 C ATOM 537 C CYS A 38 4.385 1.032 0.083 1.00 0.00 C ATOM 538 O CYS A 38 4.107 2.228 0.111 1.00 0.00 O ATOM 539 CB CYS A 38 4.683 -0.074 -2.187 1.00 0.00 C ATOM 540 SG CYS A 38 3.938 1.186 -3.233 1.00 0.00 S ATOM 0 H CYS A 38 6.201 -1.391 -0.792 1.00 0.00 H new ATOM 0 HA CYS A 38 5.947 1.383 -1.307 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.406 -0.645 -2.769 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.913 -0.773 -1.860 1.00 0.00 H new ATOM 0 HG CYS A 38 2.743 1.458 -2.800 1.00 0.00 H new ATOM 545 N CYS A 39 3.907 0.153 0.975 1.00 0.00 N ATOM 546 CA CYS A 39 3.149 0.513 2.162 1.00 0.00 C ATOM 547 C CYS A 39 3.961 1.437 3.070 1.00 0.00 C ATOM 548 O CYS A 39 3.455 2.489 3.428 1.00 0.00 O ATOM 549 CB CYS A 39 2.734 -0.753 2.918 1.00 0.00 C ATOM 550 SG CYS A 39 2.031 -2.117 1.952 1.00 0.00 S ATOM 0 H CYS A 39 4.046 -0.853 0.880 1.00 0.00 H new ATOM 0 HA CYS A 39 2.253 1.051 1.852 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.610 -1.131 3.445 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.004 -0.467 3.676 1.00 0.00 H new ATOM 0 HG CYS A 39 0.765 -1.900 1.752 1.00 0.00 H new ATOM 555 N ASN A 40 5.192 1.071 3.436 1.00 0.00 N ATOM 556 CA ASN A 40 6.117 1.821 4.279 1.00 0.00 C ATOM 557 C ASN A 40 6.449 3.197 3.685 1.00 0.00 C ATOM 558 O ASN A 40 6.941 4.074 4.393 1.00 0.00 O ATOM 559 CB ASN A 40 7.424 1.012 4.411 1.00 0.00 C ATOM 560 CG ASN A 40 7.461 -0.050 5.497 1.00 0.00 C ATOM 561 OD1 ASN A 40 8.525 -0.497 5.907 1.00 0.00 O ATOM 562 ND2 ASN A 40 6.334 -0.524 5.991 1.00 0.00 N ATOM 0 H ASN A 40 5.592 0.184 3.129 1.00 0.00 H new ATOM 0 HA ASN A 40 5.644 1.978 5.248 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.623 0.528 3.455 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.241 1.711 4.591 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.356 -1.253 6.704 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.440 -0.162 5.660 1.00 0.00 H new ATOM 569 N ASP A 41 6.191 3.386 2.390 1.00 0.00 N ATOM 570 CA ASP A 41 6.404 4.608 1.632 1.00 0.00 C ATOM 571 C ASP A 41 5.093 5.375 1.371 1.00 0.00 C ATOM 572 O ASP A 41 5.135 6.432 0.738 1.00 0.00 O ATOM 573 CB ASP A 41 7.152 4.290 0.322 1.00 0.00 C ATOM 574 CG ASP A 41 8.671 4.167 0.400 1.00 0.00 C ATOM 575 OD1 ASP A 41 9.321 5.045 1.011 1.00 0.00 O ATOM 576 OD2 ASP A 41 9.231 3.298 -0.303 1.00 0.00 O ATOM 0 H ASP A 41 5.804 2.640 1.812 1.00 0.00 H new ATOM 0 HA ASP A 41 7.024 5.273 2.234 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.757 3.355 -0.074 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.913 5.069 -0.402 1.00 0.00 H new ATOM 581 N CYS A 42 3.938 4.899 1.859 1.00 0.00 N ATOM 582 CA CYS A 42 2.610 5.507 1.676 1.00 0.00 C ATOM 583 C CYS A 42 1.804 5.654 2.974 1.00 0.00 C ATOM 584 O CYS A 42 0.977 6.559 3.070 1.00 0.00 O ATOM 585 CB CYS A 42 1.768 4.675 0.701 1.00 0.00 C ATOM 586 SG CYS A 42 2.260 4.758 -1.035 1.00 0.00 S ATOM 0 H CYS A 42 3.901 4.045 2.415 1.00 0.00 H new ATOM 0 HA CYS A 42 2.810 6.506 1.288 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.803 3.633 1.019 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.730 4.998 0.780 1.00 0.00 H new ATOM 0 HG CYS A 42 1.993 3.626 -1.616 1.00 0.00 H new ATOM 591 N PHE A 43 1.985 4.760 3.945 1.00 0.00 N ATOM 592 CA PHE A 43 1.108 4.555 5.087 1.00 0.00 C ATOM 593 C PHE A 43 1.973 4.425 6.334 1.00 0.00 C ATOM 594 O PHE A 43 2.993 3.732 6.313 1.00 0.00 O ATOM 595 CB PHE A 43 0.342 3.236 4.914 1.00 0.00 C ATOM 596 CG PHE A 43 -0.751 3.184 3.865 1.00 0.00 C ATOM 597 CD1 PHE A 43 -2.052 3.591 4.203 1.00 0.00 C ATOM 598 CD2 PHE A 43 -0.502 2.661 2.580 1.00 0.00 C ATOM 599 CE1 PHE A 43 -3.083 3.530 3.251 1.00 0.00 C ATOM 600 CE2 PHE A 43 -1.537 2.586 1.632 1.00 0.00 C ATOM 601 CZ PHE A 43 -2.826 3.033 1.965 1.00 0.00 C ATOM 0 H PHE A 43 2.788 4.131 3.953 1.00 0.00 H new ATOM 0 HA PHE A 43 0.411 5.389 5.169 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.067 2.456 4.681 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.104 2.980 5.875 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.261 3.952 5.199 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.489 2.316 2.323 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.076 3.867 3.510 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.341 2.185 0.648 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.618 2.994 1.232 1.00 0.00 H new ATOM 611 N ASP A 44 1.499 4.967 7.458 1.00 0.00 N ATOM 612 CA ASP A 44 2.132 4.734 8.759 1.00 0.00 C ATOM 613 C ASP A 44 2.108 3.237 9.022 1.00 0.00 C ATOM 614 O ASP A 44 1.265 2.524 8.482 1.00 0.00 O ATOM 615 CB ASP A 44 1.394 5.372 9.950 1.00 0.00 C ATOM 616 CG ASP A 44 1.755 6.798 10.328 1.00 0.00 C ATOM 617 OD1 ASP A 44 2.869 6.989 10.868 1.00 0.00 O ATOM 618 OD2 ASP A 44 0.865 7.676 10.273 1.00 0.00 O ATOM 0 H ASP A 44 0.678 5.571 7.494 1.00 0.00 H new ATOM 0 HA ASP A 44 3.127 5.175 8.696 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.326 5.343 9.736 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.561 4.742 10.824 1.00 0.00 H new ATOM 623 N GLU A 45 2.938 2.764 9.946 1.00 0.00 N ATOM 624 CA GLU A 45 3.105 1.348 10.232 1.00 0.00 C ATOM 625 C GLU A 45 1.776 0.641 10.542 1.00 0.00 C ATOM 626 O GLU A 45 1.577 -0.509 10.148 1.00 0.00 O ATOM 627 CB GLU A 45 4.086 1.182 11.377 1.00 0.00 C ATOM 628 CG GLU A 45 5.490 1.725 11.073 1.00 0.00 C ATOM 629 CD GLU A 45 6.507 1.288 12.129 1.00 0.00 C ATOM 630 OE1 GLU A 45 6.101 0.959 13.272 1.00 0.00 O ATOM 631 OE2 GLU A 45 7.710 1.179 11.807 1.00 0.00 O ATOM 0 H GLU A 45 3.522 3.366 10.526 1.00 0.00 H new ATOM 0 HA GLU A 45 3.498 0.870 9.334 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.692 1.691 12.257 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.162 0.124 11.628 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.811 1.375 10.092 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.457 2.814 11.028 1.00 0.00 H new ATOM 638 N THR A 46 0.839 1.336 11.190 1.00 0.00 N ATOM 639 CA THR A 46 -0.511 0.842 11.443 1.00 0.00 C ATOM 640 C THR A 46 -1.272 0.597 10.127 1.00 0.00 C ATOM 641 O THR A 46 -1.747 -0.518 9.889 1.00 0.00 O ATOM 642 CB THR A 46 -1.237 1.849 12.348 1.00 0.00 C ATOM 643 OG1 THR A 46 -0.562 1.977 13.585 1.00 0.00 O ATOM 644 CG2 THR A 46 -2.672 1.424 12.675 1.00 0.00 C ATOM 0 H THR A 46 1.002 2.273 11.559 1.00 0.00 H new ATOM 0 HA THR A 46 -0.463 -0.122 11.950 1.00 0.00 H new ATOM 0 HB THR A 46 -1.251 2.787 11.793 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.035 2.623 14.150 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.136 2.173 13.317 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.244 1.333 11.752 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.659 0.463 13.189 1.00 0.00 H new ATOM 652 N GLY A 47 -1.384 1.619 9.267 1.00 0.00 N ATOM 653 CA GLY A 47 -2.074 1.502 7.988 1.00 0.00 C ATOM 654 C GLY A 47 -1.352 0.515 7.071 1.00 0.00 C ATOM 655 O GLY A 47 -1.979 -0.281 6.369 1.00 0.00 O ATOM 0 H GLY A 47 -0.997 2.546 9.444 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.099 1.170 8.152 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.128 2.479 7.508 1.00 0.00 H new ATOM 659 N THR A 48 -0.022 0.529 7.124 1.00 0.00 N ATOM 660 CA THR A 48 0.832 -0.440 6.492 1.00 0.00 C ATOM 661 C THR A 48 0.406 -1.834 6.913 1.00 0.00 C ATOM 662 O THR A 48 0.268 -2.660 6.032 1.00 0.00 O ATOM 663 CB THR A 48 2.315 -0.133 6.786 1.00 0.00 C ATOM 664 OG1 THR A 48 2.805 0.836 5.891 1.00 0.00 O ATOM 665 CG2 THR A 48 3.255 -1.335 6.650 1.00 0.00 C ATOM 0 H THR A 48 0.497 1.247 7.630 1.00 0.00 H new ATOM 0 HA THR A 48 0.729 -0.385 5.408 1.00 0.00 H new ATOM 0 HB THR A 48 2.314 0.201 7.823 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.759 1.721 6.310 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.276 -1.026 6.875 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.950 -2.116 7.347 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.209 -1.720 5.631 1.00 0.00 H new ATOM 673 N GLY A 49 0.163 -2.154 8.185 1.00 0.00 N ATOM 674 CA GLY A 49 -0.117 -3.541 8.564 1.00 0.00 C ATOM 675 C GLY A 49 -1.329 -4.133 7.824 1.00 0.00 C ATOM 676 O GLY A 49 -1.332 -5.327 7.514 1.00 0.00 O ATOM 0 H GLY A 49 0.154 -1.487 8.957 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.762 -4.153 8.358 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.295 -3.590 9.638 1.00 0.00 H new ATOM 680 N ALA A 50 -2.329 -3.307 7.493 1.00 0.00 N ATOM 681 CA ALA A 50 -3.469 -3.689 6.664 1.00 0.00 C ATOM 682 C ALA A 50 -3.065 -3.852 5.197 1.00 0.00 C ATOM 683 O ALA A 50 -3.449 -4.817 4.532 1.00 0.00 O ATOM 684 CB ALA A 50 -4.516 -2.579 6.767 1.00 0.00 C ATOM 0 H ALA A 50 -2.365 -2.336 7.802 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.859 -4.644 7.015 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.381 -2.837 6.157 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.826 -2.466 7.806 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.088 -1.641 6.412 1.00 0.00 H new ATOM 690 N CYS A 51 -2.325 -2.874 4.677 1.00 0.00 N ATOM 691 CA CYS A 51 -1.912 -2.791 3.298 1.00 0.00 C ATOM 692 C CYS A 51 -0.960 -3.950 3.005 1.00 0.00 C ATOM 693 O CYS A 51 -1.040 -4.597 1.967 1.00 0.00 O ATOM 694 CB CYS A 51 -1.327 -1.394 3.084 1.00 0.00 C ATOM 695 SG CYS A 51 -1.102 -0.881 1.367 1.00 0.00 S ATOM 0 H CYS A 51 -1.989 -2.091 5.237 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.731 -2.902 2.587 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.978 -0.671 3.576 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.361 -1.346 3.586 1.00 0.00 H new ATOM 0 HG CYS A 51 -1.235 0.409 1.279 1.00 0.00 H new ATOM 700 N ARG A 52 -0.106 -4.295 3.969 1.00 0.00 N ATOM 701 CA ARG A 52 0.741 -5.465 3.925 1.00 0.00 C ATOM 702 C ARG A 52 -0.088 -6.716 3.825 1.00 0.00 C ATOM 703 O ARG A 52 0.244 -7.503 2.966 1.00 0.00 O ATOM 704 CB ARG A 52 1.682 -5.603 5.122 1.00 0.00 C ATOM 705 CG ARG A 52 2.795 -4.562 5.081 1.00 0.00 C ATOM 706 CD ARG A 52 3.841 -4.703 6.197 1.00 0.00 C ATOM 707 NE ARG A 52 4.750 -5.849 6.000 1.00 0.00 N ATOM 708 CZ ARG A 52 5.587 -6.334 6.929 1.00 0.00 C ATOM 709 NH1 ARG A 52 5.695 -5.749 8.123 1.00 0.00 N ATOM 710 NH2 ARG A 52 6.254 -7.448 6.677 1.00 0.00 N ATOM 0 H ARG A 52 0.011 -3.747 4.821 1.00 0.00 H new ATOM 0 HA ARG A 52 1.361 -5.332 3.038 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.115 -5.494 6.046 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.117 -6.602 5.131 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.300 -4.626 4.117 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.349 -3.569 5.142 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.429 -3.787 6.253 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.330 -4.813 7.153 1.00 0.00 H new ATOM 0 HE ARG A 52 4.741 -6.307 5.089 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.137 -4.923 8.338 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.335 -6.128 8.821 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.129 -7.927 5.785 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.894 -7.828 7.374 1.00 0.00 H new ATOM 724 N ALA A 53 -1.184 -6.887 4.569 1.00 0.00 N ATOM 725 CA ALA A 53 -2.029 -8.067 4.364 1.00 0.00 C ATOM 726 C ALA A 53 -2.492 -8.159 2.908 1.00 0.00 C ATOM 727 O ALA A 53 -2.456 -9.230 2.296 1.00 0.00 O ATOM 728 CB ALA A 53 -3.233 -8.075 5.307 1.00 0.00 C ATOM 0 H ALA A 53 -1.501 -6.246 5.297 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.422 -8.942 4.594 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.834 -8.966 5.123 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.886 -8.079 6.340 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.839 -7.186 5.131 1.00 0.00 H new ATOM 734 N GLN A 54 -2.905 -7.026 2.337 1.00 0.00 N ATOM 735 CA GLN A 54 -3.305 -6.919 0.934 1.00 0.00 C ATOM 736 C GLN A 54 -2.112 -7.043 -0.044 1.00 0.00 C ATOM 737 O GLN A 54 -2.320 -7.149 -1.252 1.00 0.00 O ATOM 738 CB GLN A 54 -4.069 -5.602 0.741 1.00 0.00 C ATOM 739 CG GLN A 54 -4.931 -5.510 -0.533 1.00 0.00 C ATOM 740 CD GLN A 54 -6.421 -5.837 -0.391 1.00 0.00 C ATOM 741 OE1 GLN A 54 -7.021 -5.708 0.676 1.00 0.00 O ATOM 742 NE2 GLN A 54 -7.081 -6.192 -1.484 1.00 0.00 N ATOM 0 H GLN A 54 -2.972 -6.144 2.845 1.00 0.00 H new ATOM 0 HA GLN A 54 -3.956 -7.759 0.694 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.714 -5.447 1.606 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.349 -4.784 0.730 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.843 -4.498 -0.929 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.506 -6.182 -1.278 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.584 -6.299 -2.368 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.086 -6.358 -1.441 1.00 0.00 H new ATOM 751 N ALA A 55 -0.868 -7.076 0.428 1.00 0.00 N ATOM 752 CA ALA A 55 0.317 -7.349 -0.373 1.00 0.00 C ATOM 753 C ALA A 55 1.046 -8.642 0.044 1.00 0.00 C ATOM 754 O ALA A 55 2.052 -9.000 -0.558 1.00 0.00 O ATOM 755 CB ALA A 55 1.279 -6.151 -0.268 1.00 0.00 C ATOM 0 H ALA A 55 -0.653 -6.908 1.411 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.011 -7.496 -1.402 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.170 -6.346 -0.865 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.784 -5.253 -0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.565 -6.004 0.774 1.00 0.00 H new ATOM 761 N PHE A 56 0.583 -9.334 1.079 1.00 0.00 N ATOM 762 CA PHE A 56 1.229 -10.504 1.642 1.00 0.00 C ATOM 763 C PHE A 56 0.453 -11.718 1.146 1.00 0.00 C ATOM 764 O PHE A 56 1.014 -12.598 0.498 1.00 0.00 O ATOM 765 CB PHE A 56 1.217 -10.431 3.181 1.00 0.00 C ATOM 766 CG PHE A 56 1.914 -11.611 3.848 1.00 0.00 C ATOM 767 CD1 PHE A 56 3.180 -12.058 3.414 1.00 0.00 C ATOM 768 CD2 PHE A 56 1.279 -12.291 4.903 1.00 0.00 C ATOM 769 CE1 PHE A 56 3.804 -13.151 4.043 1.00 0.00 C ATOM 770 CE2 PHE A 56 1.886 -13.401 5.511 1.00 0.00 C ATOM 771 CZ PHE A 56 3.149 -13.832 5.080 1.00 0.00 C ATOM 0 H PHE A 56 -0.280 -9.084 1.562 1.00 0.00 H new ATOM 0 HA PHE A 56 2.272 -10.566 1.333 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.700 -9.507 3.497 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.184 -10.385 3.527 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.673 -11.558 2.594 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.313 -11.955 5.249 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.788 -13.466 3.727 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.381 -13.923 6.310 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.617 -14.687 5.546 1.00 0.00 H new ATOM 781 N GLY A 57 -0.847 -11.749 1.456 1.00 0.00 N ATOM 782 CA GLY A 57 -1.755 -12.871 1.239 1.00 0.00 C ATOM 783 C GLY A 57 -2.893 -12.585 0.261 1.00 0.00 C ATOM 784 O GLY A 57 -3.937 -13.230 0.350 1.00 0.00 O ATOM 0 H GLY A 57 -1.314 -10.951 1.886 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.181 -13.721 0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.182 -13.167 2.197 1.00 0.00 H new ATOM 788 N ASN A 58 -2.740 -11.624 -0.652 1.00 0.00 N ATOM 789 CA ASN A 58 -3.803 -11.143 -1.546 1.00 0.00 C ATOM 790 C ASN A 58 -3.353 -11.188 -3.014 1.00 0.00 C ATOM 791 O ASN A 58 -3.868 -11.999 -3.779 1.00 0.00 O ATOM 792 CB ASN A 58 -4.194 -9.726 -1.122 1.00 0.00 C ATOM 793 CG ASN A 58 -5.048 -9.019 -2.172 1.00 0.00 C ATOM 794 OD1 ASN A 58 -6.244 -9.262 -2.313 1.00 0.00 O ATOM 795 ND2 ASN A 58 -4.444 -8.117 -2.917 1.00 0.00 N ATOM 0 H ASN A 58 -1.851 -11.144 -0.796 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.673 -11.795 -1.466 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.742 -9.770 -0.181 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.292 -9.143 -0.939 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.970 -7.606 -3.626 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.450 -7.929 -2.785 1.00 0.00 H new ATOM 802 N SER A 59 -2.380 -10.373 -3.437 1.00 0.00 N ATOM 803 CA SER A 59 -1.884 -10.350 -4.805 1.00 0.00 C ATOM 804 C SER A 59 -0.370 -10.208 -4.916 1.00 0.00 C ATOM 805 O SER A 59 0.237 -11.004 -5.626 1.00 0.00 O ATOM 806 CB SER A 59 -2.578 -9.205 -5.519 1.00 0.00 C ATOM 807 OG SER A 59 -3.822 -9.675 -6.018 1.00 0.00 O ATOM 0 H SER A 59 -1.913 -9.704 -2.825 1.00 0.00 H new ATOM 0 HA SER A 59 -2.109 -11.313 -5.264 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.735 -8.371 -4.835 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.957 -8.835 -6.335 1.00 0.00 H new ATOM 0 HG SER A 59 -4.107 -10.457 -5.501 1.00 0.00 H new ATOM 813 N CYS A 60 0.230 -9.187 -4.298 1.00 0.00 N ATOM 814 CA CYS A 60 1.657 -8.921 -4.437 1.00 0.00 C ATOM 815 C CYS A 60 2.437 -10.171 -4.028 1.00 0.00 C ATOM 816 O CYS A 60 2.196 -10.755 -2.968 1.00 0.00 O ATOM 817 CB CYS A 60 2.024 -7.705 -3.601 1.00 0.00 C ATOM 818 SG CYS A 60 3.770 -7.260 -3.640 1.00 0.00 S ATOM 0 H CYS A 60 -0.259 -8.528 -3.692 1.00 0.00 H new ATOM 0 HA CYS A 60 1.914 -8.694 -5.472 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.439 -6.853 -3.947 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.734 -7.892 -2.567 1.00 0.00 H new ATOM 0 HG CYS A 60 4.064 -6.759 -4.803 1.00 0.00 H new ATOM 823 N LEU A 61 3.268 -10.666 -4.945 1.00 0.00 N ATOM 824 CA LEU A 61 3.570 -12.087 -4.960 1.00 0.00 C ATOM 825 C LEU A 61 4.418 -12.496 -3.765 1.00 0.00 C ATOM 826 O LEU A 61 4.170 -13.549 -3.181 1.00 0.00 O ATOM 827 CB LEU A 61 4.233 -12.487 -6.286 1.00 0.00 C ATOM 828 CG LEU A 61 3.568 -13.716 -6.928 1.00 0.00 C ATOM 829 CD1 LEU A 61 3.509 -14.951 -6.022 1.00 0.00 C ATOM 830 CD2 LEU A 61 2.183 -13.357 -7.460 1.00 0.00 C ATOM 0 H LEU A 61 3.731 -10.116 -5.668 1.00 0.00 H new ATOM 0 HA LEU A 61 2.627 -12.628 -4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.186 -11.648 -6.980 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.288 -12.698 -6.112 1.00 0.00 H new ATOM 0 HG LEU A 61 4.214 -14.004 -7.758 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.025 -15.770 -6.554 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.521 -15.247 -5.744 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.940 -14.716 -5.123 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.727 -14.238 -7.911 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.558 -13.005 -6.639 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.274 -12.571 -8.210 1.00 0.00 H new ATOM 842 N ASN A 62 5.374 -11.656 -3.379 1.00 0.00 N ATOM 843 CA ASN A 62 5.923 -11.544 -2.044 1.00 0.00 C ATOM 844 C ASN A 62 5.880 -10.058 -1.708 1.00 0.00 C ATOM 845 O ASN A 62 6.064 -9.236 -2.607 1.00 0.00 O ATOM 846 CB ASN A 62 7.349 -12.098 -1.953 1.00 0.00 C ATOM 847 CG ASN A 62 8.398 -11.279 -2.698 1.00 0.00 C ATOM 848 OD1 ASN A 62 9.322 -10.724 -2.118 1.00 0.00 O ATOM 849 ND2 ASN A 62 8.346 -11.222 -4.016 1.00 0.00 N ATOM 0 H ASN A 62 5.806 -11.001 -4.031 1.00 0.00 H new ATOM 0 HA ASN A 62 5.345 -12.136 -1.335 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.634 -12.160 -0.903 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.355 -13.115 -2.345 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.068 -10.721 -4.534 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.583 -11.679 -4.517 1.00 0.00 H new ATOM 856 N TRP A 63 5.588 -9.742 -0.450 1.00 0.00 N ATOM 857 CA TRP A 63 5.594 -8.388 0.067 1.00 0.00 C ATOM 858 C TRP A 63 7.010 -7.839 0.129 1.00 0.00 C ATOM 859 O TRP A 63 7.965 -8.638 0.235 1.00 0.00 O ATOM 860 CB TRP A 63 4.913 -8.347 1.444 1.00 0.00 C ATOM 861 CG TRP A 63 5.393 -9.254 2.553 1.00 0.00 C ATOM 862 CD1 TRP A 63 6.336 -10.224 2.512 1.00 0.00 C ATOM 863 CD2 TRP A 63 4.858 -9.310 3.900 1.00 0.00 C ATOM 864 NE1 TRP A 63 6.404 -10.878 3.729 1.00 0.00 N ATOM 865 CE2 TRP A 63 5.483 -10.363 4.622 1.00 0.00 C ATOM 866 CE3 TRP A 63 3.830 -8.604 4.537 1.00 0.00 C ATOM 867 CZ2 TRP A 63 5.064 -10.715 5.912 1.00 0.00 C ATOM 868 CZ3 TRP A 63 3.400 -8.942 5.835 1.00 0.00 C ATOM 869 CH2 TRP A 63 3.998 -10.022 6.509 1.00 0.00 C ATOM 0 H TRP A 63 5.336 -10.440 0.250 1.00 0.00 H new ATOM 0 HA TRP A 63 5.028 -7.749 -0.611 1.00 0.00 H new ATOM 0 HB2 TRP A 63 4.984 -7.323 1.810 1.00 0.00 H new ATOM 0 HB3 TRP A 63 3.855 -8.558 1.288 1.00 0.00 H new ATOM 0 HD1 TRP A 63 6.948 -10.454 1.652 1.00 0.00 H new ATOM 0 HE1 TRP A 63 7.049 -11.640 3.940 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.356 -7.782 4.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 5.558 -11.515 6.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 2.614 -8.374 6.311 1.00 0.00 H new ATOM 0 HH2 TRP A 63 3.638 -10.318 7.483 1.00 0.00 H new