USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 410 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 45 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 64 SER OG : rot 170:sc= 0 USER MOD Set 2.1: A 40 ASN : amide:sc= -0.958 K(o=-1.4,f=-9.5!) USER MOD Set 2.2: A 46 LYS NZ :NH3+ -121:sc= -0.461 (180deg=-0.0426) USER MOD Set 3.1: A 36 HIS : no HE2:sc= -1.1! C(o=-2.2!,f=-13!) USER MOD Set 3.2: A 60 TYR OH : rot -34:sc= -1.14! USER MOD Set 4.1: A 28 MET CE :methyl 167:sc= -2.46 (180deg=-2.84) USER MOD Set 4.2: A 65 MET CE :methyl -151:sc= -0.927 (180deg=-3.63!) USER MOD Single : A 14 SER OG : rot 29:sc= 0.414 USER MOD Single : A 17 CYS SG : rot 180:sc=-0.000263 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 23 MET CE :methyl -106:sc= 0 (180deg=-0.101) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -2! C(o=-2!,f=-5.1!) USER MOD Single : A 63 MET CE :methyl 154:sc= -0.15 (180deg=-0.927) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -6.25! C(o=-6.2!,f=-9.8!) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.13 F(o=-0.71,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 23 N SER A 14 7.028 -1.185 -8.409 1.00 0.00 N ATOM 24 CA SER A 14 5.738 -1.755 -7.931 1.00 0.00 C ATOM 25 C SER A 14 5.469 -1.279 -6.503 1.00 0.00 C ATOM 26 O SER A 14 6.349 -0.781 -5.829 1.00 0.00 O ATOM 27 CB SER A 14 5.811 -3.282 -7.951 1.00 0.00 C ATOM 28 OG SER A 14 6.434 -3.707 -9.154 1.00 0.00 O ATOM 0 HA SER A 14 4.932 -1.422 -8.586 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.374 -3.642 -7.090 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.810 -3.706 -7.877 1.00 0.00 H new ATOM 0 HG SER A 14 7.060 -3.017 -9.460 1.00 0.00 H new ATOM 34 N ILE A 15 4.256 -1.438 -6.037 1.00 0.00 N ATOM 35 CA ILE A 15 3.904 -1.011 -4.648 1.00 0.00 C ATOM 36 C ILE A 15 3.137 -2.139 -3.959 1.00 0.00 C ATOM 37 O ILE A 15 2.198 -2.688 -4.501 1.00 0.00 O ATOM 38 CB ILE A 15 3.039 0.250 -4.709 1.00 0.00 C ATOM 39 CG1 ILE A 15 3.847 1.380 -5.350 1.00 0.00 C ATOM 40 CG2 ILE A 15 2.619 0.660 -3.296 1.00 0.00 C ATOM 41 CD1 ILE A 15 2.931 2.572 -5.630 1.00 0.00 C ATOM 0 H ILE A 15 3.487 -1.850 -6.565 1.00 0.00 H new ATOM 0 HA ILE A 15 4.811 -0.793 -4.083 1.00 0.00 H new ATOM 0 HB ILE A 15 2.147 0.051 -5.302 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.659 1.680 -4.688 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.303 1.034 -6.277 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.003 1.558 -3.346 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.047 -0.147 -2.838 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.507 0.861 -2.697 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.509 3.376 -6.087 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.134 2.267 -6.309 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.496 2.924 -4.695 1.00 0.00 H new ATOM 53 N TRP A 16 3.539 -2.498 -2.767 1.00 0.00 N ATOM 54 CA TRP A 16 2.847 -3.600 -2.031 1.00 0.00 C ATOM 55 C TRP A 16 2.762 -3.227 -0.548 1.00 0.00 C ATOM 56 O TRP A 16 3.691 -2.676 0.010 1.00 0.00 O ATOM 57 CB TRP A 16 3.661 -4.889 -2.179 1.00 0.00 C ATOM 58 CG TRP A 16 3.845 -5.224 -3.628 1.00 0.00 C ATOM 59 CD1 TRP A 16 4.676 -4.571 -4.477 1.00 0.00 C ATOM 60 CD2 TRP A 16 3.221 -6.289 -4.409 1.00 0.00 C ATOM 61 NE1 TRP A 16 4.598 -5.163 -5.725 1.00 0.00 N ATOM 62 CE2 TRP A 16 3.718 -6.225 -5.734 1.00 0.00 C ATOM 63 CE3 TRP A 16 2.282 -7.293 -4.105 1.00 0.00 C ATOM 64 CZ2 TRP A 16 3.301 -7.123 -6.716 1.00 0.00 C ATOM 65 CZ3 TRP A 16 1.862 -8.197 -5.092 1.00 0.00 C ATOM 66 CH2 TRP A 16 2.371 -8.114 -6.394 1.00 0.00 C ATOM 0 H TRP A 16 4.321 -2.073 -2.269 1.00 0.00 H new ATOM 0 HA TRP A 16 1.846 -3.748 -2.436 1.00 0.00 H new ATOM 0 HB2 TRP A 16 4.633 -4.771 -1.700 1.00 0.00 H new ATOM 0 HB3 TRP A 16 3.153 -5.709 -1.671 1.00 0.00 H new ATOM 0 HD1 TRP A 16 5.298 -3.726 -4.221 1.00 0.00 H new ATOM 0 HE1 TRP A 16 5.127 -4.852 -6.540 1.00 0.00 H new ATOM 0 HE3 TRP A 16 1.882 -7.368 -3.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 3.695 -7.053 -7.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 1.141 -8.962 -4.846 1.00 0.00 H new ATOM 0 HH2 TRP A 16 2.045 -8.815 -7.148 1.00 0.00 H new ATOM 77 N CYS A 17 1.653 -3.514 0.095 1.00 0.00 N ATOM 78 CA CYS A 17 1.499 -3.165 1.548 1.00 0.00 C ATOM 79 C CYS A 17 1.009 -4.382 2.338 1.00 0.00 C ATOM 80 O CYS A 17 0.153 -5.124 1.896 1.00 0.00 O ATOM 81 CB CYS A 17 0.482 -2.031 1.685 1.00 0.00 C ATOM 82 SG CYS A 17 1.182 -0.513 0.989 1.00 0.00 S ATOM 0 H CYS A 17 0.846 -3.976 -0.324 1.00 0.00 H new ATOM 0 HA CYS A 17 2.465 -2.852 1.944 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.441 -2.290 1.167 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.227 -1.880 2.734 1.00 0.00 H new ATOM 0 HG CYS A 17 0.320 0.454 1.101 1.00 0.00 H new ATOM 88 N SER A 18 1.550 -4.586 3.510 1.00 0.00 N ATOM 89 CA SER A 18 1.130 -5.743 4.353 1.00 0.00 C ATOM 90 C SER A 18 -0.268 -5.463 4.926 1.00 0.00 C ATOM 91 O SER A 18 -0.640 -4.319 5.098 1.00 0.00 O ATOM 92 CB SER A 18 2.140 -5.893 5.497 1.00 0.00 C ATOM 93 OG SER A 18 2.151 -4.700 6.271 1.00 0.00 O ATOM 0 H SER A 18 2.272 -3.995 3.923 1.00 0.00 H new ATOM 0 HA SER A 18 1.098 -6.659 3.763 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.874 -6.745 6.123 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.134 -6.090 5.097 1.00 0.00 H new ATOM 0 HG SER A 18 2.794 -4.792 7.005 1.00 0.00 H new ATOM 99 N PRO A 19 -1.044 -6.482 5.230 1.00 0.00 N ATOM 100 CA PRO A 19 -2.412 -6.292 5.795 1.00 0.00 C ATOM 101 C PRO A 19 -2.404 -5.312 6.972 1.00 0.00 C ATOM 102 O PRO A 19 -3.331 -4.558 7.168 1.00 0.00 O ATOM 103 CB PRO A 19 -2.843 -7.708 6.249 1.00 0.00 C ATOM 104 CG PRO A 19 -1.617 -8.565 6.137 1.00 0.00 C ATOM 105 CD PRO A 19 -0.734 -7.912 5.077 1.00 0.00 C ATOM 0 HA PRO A 19 -3.099 -5.863 5.066 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.217 -7.693 7.273 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.647 -8.092 5.621 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.097 -8.626 7.093 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.879 -9.584 5.851 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.323 -8.117 5.248 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.970 -8.272 4.076 1.00 0.00 H new ATOM 113 N GLN A 20 -1.365 -5.318 7.756 1.00 0.00 N ATOM 114 CA GLN A 20 -1.313 -4.387 8.911 1.00 0.00 C ATOM 115 C GLN A 20 -1.398 -2.953 8.402 1.00 0.00 C ATOM 116 O GLN A 20 -2.165 -2.151 8.900 1.00 0.00 O ATOM 117 CB GLN A 20 0.009 -4.587 9.650 1.00 0.00 C ATOM 118 CG GLN A 20 0.003 -5.942 10.363 1.00 0.00 C ATOM 119 CD GLN A 20 1.330 -6.136 11.099 1.00 0.00 C ATOM 120 OE1 GLN A 20 1.877 -5.199 11.648 1.00 0.00 O ATOM 121 NE2 GLN A 20 1.871 -7.323 11.144 1.00 0.00 N ATOM 0 H GLN A 20 -0.553 -5.925 7.647 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.146 -4.584 9.586 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.840 -4.539 8.947 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.157 -3.785 10.374 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.827 -5.990 11.068 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.145 -6.745 9.641 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.413 -8.110 10.684 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.752 -7.464 11.639 1.00 0.00 H new ATOM 130 N GLU A 21 -0.629 -2.623 7.403 1.00 0.00 N ATOM 131 CA GLU A 21 -0.682 -1.240 6.860 1.00 0.00 C ATOM 132 C GLU A 21 -2.046 -1.016 6.204 1.00 0.00 C ATOM 133 O GLU A 21 -2.665 0.016 6.369 1.00 0.00 O ATOM 134 CB GLU A 21 0.418 -1.060 5.810 1.00 0.00 C ATOM 135 CG GLU A 21 1.790 -1.084 6.487 1.00 0.00 C ATOM 136 CD GLU A 21 1.954 0.158 7.364 1.00 0.00 C ATOM 137 OE1 GLU A 21 1.374 1.177 7.029 1.00 0.00 O ATOM 138 OE2 GLU A 21 2.656 0.068 8.359 1.00 0.00 O ATOM 0 H GLU A 21 0.031 -3.249 6.941 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.534 -0.522 7.667 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.356 -1.854 5.065 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.279 -0.116 5.283 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.892 -1.985 7.093 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.577 -1.116 5.734 1.00 0.00 H new ATOM 145 N ILE A 22 -2.520 -1.979 5.456 1.00 0.00 N ATOM 146 CA ILE A 22 -3.843 -1.822 4.787 1.00 0.00 C ATOM 147 C ILE A 22 -4.974 -1.890 5.817 1.00 0.00 C ATOM 148 O ILE A 22 -5.816 -1.018 5.878 1.00 0.00 O ATOM 149 CB ILE A 22 -4.031 -2.928 3.746 1.00 0.00 C ATOM 150 CG1 ILE A 22 -2.918 -2.828 2.702 1.00 0.00 C ATOM 151 CG2 ILE A 22 -5.386 -2.753 3.056 1.00 0.00 C ATOM 152 CD1 ILE A 22 -2.941 -4.064 1.801 1.00 0.00 C ATOM 0 H ILE A 22 -2.048 -2.866 5.281 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.872 -0.850 4.295 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.994 -3.901 4.235 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.049 -1.927 2.103 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.950 -2.744 3.196 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.521 -3.540 2.314 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.182 -2.813 3.798 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.421 -1.781 2.564 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.146 -3.988 1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.789 -4.958 2.406 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.905 -4.128 1.295 1.00 0.00 H new ATOM 164 N MET A 23 -5.017 -2.923 6.618 1.00 0.00 N ATOM 165 CA MET A 23 -6.110 -3.053 7.624 1.00 0.00 C ATOM 166 C MET A 23 -6.227 -1.767 8.448 1.00 0.00 C ATOM 167 O MET A 23 -7.256 -1.491 9.033 1.00 0.00 O ATOM 168 CB MET A 23 -5.792 -4.252 8.534 1.00 0.00 C ATOM 169 CG MET A 23 -7.030 -4.692 9.326 1.00 0.00 C ATOM 170 SD MET A 23 -7.228 -3.636 10.786 1.00 0.00 S ATOM 171 CE MET A 23 -6.032 -4.472 11.865 1.00 0.00 C ATOM 0 H MET A 23 -4.339 -3.685 6.618 1.00 0.00 H new ATOM 0 HA MET A 23 -7.064 -3.216 7.122 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.429 -5.084 7.930 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.991 -3.986 9.224 1.00 0.00 H new ATOM 0 HG2 MET A 23 -7.918 -4.629 8.697 1.00 0.00 H new ATOM 0 HG3 MET A 23 -6.928 -5.734 9.630 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.565 -5.049 12.621 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.410 -5.141 11.270 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.401 -3.729 12.354 1.00 0.00 H new ATOM 181 N ALA A 24 -5.197 -0.965 8.495 1.00 0.00 N ATOM 182 CA ALA A 24 -5.290 0.301 9.276 1.00 0.00 C ATOM 183 C ALA A 24 -6.084 1.326 8.461 1.00 0.00 C ATOM 184 O ALA A 24 -6.404 2.399 8.930 1.00 0.00 O ATOM 185 CB ALA A 24 -3.887 0.846 9.554 1.00 0.00 C ATOM 0 H ALA A 24 -4.304 -1.130 8.031 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.790 0.110 10.226 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.963 1.771 10.125 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.318 0.112 10.125 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.379 1.043 8.610 1.00 0.00 H new ATOM 191 N ALA A 25 -6.420 0.986 7.245 1.00 0.00 N ATOM 192 CA ALA A 25 -7.214 1.924 6.397 1.00 0.00 C ATOM 193 C ALA A 25 -8.692 1.797 6.777 1.00 0.00 C ATOM 194 O ALA A 25 -9.241 0.714 6.815 1.00 0.00 O ATOM 195 CB ALA A 25 -7.030 1.571 4.919 1.00 0.00 C ATOM 0 H ALA A 25 -6.179 0.099 6.802 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.874 2.947 6.559 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.612 2.259 4.305 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.976 1.651 4.654 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.371 0.551 4.743 1.00 0.00 H new ATOM 201 N ASP A 26 -9.337 2.894 7.067 1.00 0.00 N ATOM 202 CA ASP A 26 -10.777 2.840 7.455 1.00 0.00 C ATOM 203 C ASP A 26 -11.599 2.230 6.313 1.00 0.00 C ATOM 204 O ASP A 26 -12.511 1.460 6.536 1.00 0.00 O ATOM 205 CB ASP A 26 -11.274 4.260 7.747 1.00 0.00 C ATOM 206 CG ASP A 26 -12.747 4.223 8.169 1.00 0.00 C ATOM 207 OD1 ASP A 26 -13.403 3.232 7.894 1.00 0.00 O ATOM 208 OD2 ASP A 26 -13.192 5.190 8.767 1.00 0.00 O ATOM 0 H ASP A 26 -8.928 3.828 7.052 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.891 2.222 8.346 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.672 4.710 8.537 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -11.156 4.885 6.862 1.00 0.00 H new ATOM 213 N GLY A 27 -11.288 2.575 5.094 1.00 0.00 N ATOM 214 CA GLY A 27 -12.059 2.023 3.940 1.00 0.00 C ATOM 215 C GLY A 27 -12.038 0.492 3.974 1.00 0.00 C ATOM 216 O GLY A 27 -12.747 -0.161 3.235 1.00 0.00 O ATOM 0 H GLY A 27 -10.534 3.215 4.845 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.088 2.381 3.976 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.630 2.379 3.003 1.00 0.00 H new ATOM 220 N MET A 28 -11.223 -0.083 4.824 1.00 0.00 N ATOM 221 CA MET A 28 -11.135 -1.577 4.919 1.00 0.00 C ATOM 222 C MET A 28 -11.257 -1.986 6.400 1.00 0.00 C ATOM 223 O MET A 28 -10.268 -2.202 7.072 1.00 0.00 O ATOM 224 CB MET A 28 -9.787 -2.031 4.344 1.00 0.00 C ATOM 225 CG MET A 28 -9.422 -1.133 3.159 1.00 0.00 C ATOM 226 SD MET A 28 -8.112 -1.909 2.184 1.00 0.00 S ATOM 227 CE MET A 28 -8.276 -0.844 0.731 1.00 0.00 C ATOM 0 H MET A 28 -10.609 0.422 5.463 1.00 0.00 H new ATOM 0 HA MET A 28 -11.938 -2.048 4.352 1.00 0.00 H new ATOM 0 HB2 MET A 28 -9.013 -1.976 5.110 1.00 0.00 H new ATOM 0 HB3 MET A 28 -9.846 -3.071 4.024 1.00 0.00 H new ATOM 0 HG2 MET A 28 -10.300 -0.963 2.536 1.00 0.00 H new ATOM 0 HG3 MET A 28 -9.092 -0.158 3.518 1.00 0.00 H new ATOM 0 HE1 MET A 28 -7.414 -0.984 0.078 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.186 -1.104 0.191 1.00 0.00 H new ATOM 0 HE3 MET A 28 -8.326 0.198 1.047 1.00 0.00 H new ATOM 237 N PRO A 29 -12.463 -2.054 6.915 1.00 0.00 N ATOM 238 CA PRO A 29 -12.722 -2.398 8.351 1.00 0.00 C ATOM 239 C PRO A 29 -12.711 -3.902 8.629 1.00 0.00 C ATOM 240 O PRO A 29 -12.851 -4.712 7.737 1.00 0.00 O ATOM 241 CB PRO A 29 -14.128 -1.854 8.573 1.00 0.00 C ATOM 242 CG PRO A 29 -14.800 -2.075 7.260 1.00 0.00 C ATOM 243 CD PRO A 29 -13.731 -1.818 6.193 1.00 0.00 C ATOM 0 HA PRO A 29 -11.952 -1.987 9.004 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -14.639 -2.381 9.379 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -14.112 -0.798 8.842 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -15.189 -3.090 7.186 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -15.646 -1.399 7.136 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -13.841 -2.492 5.343 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -13.788 -0.802 5.803 1.00 0.00 H new ATOM 251 N GLY A 30 -12.548 -4.274 9.875 1.00 0.00 N ATOM 252 CA GLY A 30 -12.526 -5.718 10.245 1.00 0.00 C ATOM 253 C GLY A 30 -11.088 -6.110 10.548 1.00 0.00 C ATOM 254 O GLY A 30 -10.163 -5.389 10.232 1.00 0.00 O ATOM 0 H GLY A 30 -12.428 -3.630 10.657 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -13.160 -5.897 11.113 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.922 -6.325 9.431 1.00 0.00 H new ATOM 258 N SER A 31 -10.875 -7.235 11.160 1.00 0.00 N ATOM 259 CA SER A 31 -9.480 -7.641 11.475 1.00 0.00 C ATOM 260 C SER A 31 -8.774 -8.003 10.177 1.00 0.00 C ATOM 261 O SER A 31 -9.277 -7.750 9.100 1.00 0.00 O ATOM 262 CB SER A 31 -9.487 -8.853 12.408 1.00 0.00 C ATOM 263 OG SER A 31 -10.082 -9.960 11.742 1.00 0.00 O ATOM 0 H SER A 31 -11.600 -7.889 11.455 1.00 0.00 H new ATOM 0 HA SER A 31 -8.961 -6.820 11.969 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.469 -9.100 12.708 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.041 -8.622 13.318 1.00 0.00 H new ATOM 0 HG SER A 31 -10.085 -10.737 12.339 1.00 0.00 H new ATOM 269 N VAL A 32 -7.608 -8.571 10.256 1.00 0.00 N ATOM 270 CA VAL A 32 -6.889 -8.908 9.003 1.00 0.00 C ATOM 271 C VAL A 32 -7.751 -9.852 8.167 1.00 0.00 C ATOM 272 O VAL A 32 -7.872 -9.691 6.969 1.00 0.00 O ATOM 273 CB VAL A 32 -5.555 -9.584 9.324 1.00 0.00 C ATOM 274 CG1 VAL A 32 -4.855 -9.945 8.012 1.00 0.00 C ATOM 275 CG2 VAL A 32 -4.677 -8.628 10.139 1.00 0.00 C ATOM 0 H VAL A 32 -7.127 -8.814 11.122 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.694 -7.992 8.445 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.727 -10.488 9.908 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.902 -10.428 8.229 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.485 -10.626 7.439 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.679 -9.039 7.432 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.727 -9.111 10.367 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.494 -7.721 9.562 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.185 -8.370 11.068 1.00 0.00 H new ATOM 285 N ALA A 33 -8.361 -10.832 8.775 1.00 0.00 N ATOM 286 CA ALA A 33 -9.215 -11.766 7.992 1.00 0.00 C ATOM 287 C ALA A 33 -10.342 -10.975 7.320 1.00 0.00 C ATOM 288 O ALA A 33 -10.719 -11.247 6.198 1.00 0.00 O ATOM 289 CB ALA A 33 -9.820 -12.814 8.929 1.00 0.00 C ATOM 0 H ALA A 33 -8.305 -11.025 9.775 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.611 -12.264 7.233 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.445 -13.498 8.355 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.020 -13.374 9.413 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.426 -12.318 9.687 1.00 0.00 H new ATOM 295 N GLY A 34 -10.891 -10.001 7.999 1.00 0.00 N ATOM 296 CA GLY A 34 -11.996 -9.205 7.389 1.00 0.00 C ATOM 297 C GLY A 34 -11.519 -8.616 6.062 1.00 0.00 C ATOM 298 O GLY A 34 -12.221 -8.648 5.070 1.00 0.00 O ATOM 0 H GLY A 34 -10.624 -9.724 8.944 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.869 -9.837 7.227 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.302 -8.407 8.066 1.00 0.00 H new ATOM 302 N VAL A 35 -10.322 -8.096 6.028 1.00 0.00 N ATOM 303 CA VAL A 35 -9.803 -7.529 4.753 1.00 0.00 C ATOM 304 C VAL A 35 -9.710 -8.663 3.729 1.00 0.00 C ATOM 305 O VAL A 35 -10.063 -8.512 2.576 1.00 0.00 O ATOM 306 CB VAL A 35 -8.409 -6.931 4.991 1.00 0.00 C ATOM 307 CG1 VAL A 35 -7.732 -6.633 3.645 1.00 0.00 C ATOM 308 CG2 VAL A 35 -8.549 -5.632 5.792 1.00 0.00 C ATOM 0 H VAL A 35 -9.685 -8.040 6.823 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.466 -6.746 4.387 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.799 -7.643 5.547 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.743 -6.209 3.821 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.634 -7.557 3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.337 -5.922 3.083 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.562 -5.203 5.964 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.160 -4.924 5.233 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.024 -5.844 6.750 1.00 0.00 H new ATOM 318 N HIS A 36 -9.239 -9.801 4.156 1.00 0.00 N ATOM 319 CA HIS A 36 -9.118 -10.966 3.238 1.00 0.00 C ATOM 320 C HIS A 36 -10.500 -11.345 2.704 1.00 0.00 C ATOM 321 O HIS A 36 -10.640 -11.796 1.586 1.00 0.00 O ATOM 322 CB HIS A 36 -8.522 -12.155 3.996 1.00 0.00 C ATOM 323 CG HIS A 36 -7.039 -11.967 4.161 1.00 0.00 C ATOM 324 ND1 HIS A 36 -6.492 -11.016 5.008 1.00 0.00 N ATOM 325 CD2 HIS A 36 -5.978 -12.612 3.589 1.00 0.00 C ATOM 326 CE1 HIS A 36 -5.151 -11.119 4.918 1.00 0.00 C ATOM 327 NE2 HIS A 36 -4.785 -12.078 4.066 1.00 0.00 N ATOM 0 H HIS A 36 -8.930 -9.975 5.112 1.00 0.00 H new ATOM 0 HA HIS A 36 -8.467 -10.702 2.404 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -8.996 -12.249 4.973 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -8.722 -13.080 3.454 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -7.009 -10.359 5.592 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.054 -13.417 2.873 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.458 -10.501 5.468 1.00 0.00 H new ATOM 335 N TYR A 37 -11.521 -11.191 3.503 1.00 0.00 N ATOM 336 CA TYR A 37 -12.881 -11.575 3.039 1.00 0.00 C ATOM 337 C TYR A 37 -13.253 -10.777 1.789 1.00 0.00 C ATOM 338 O TYR A 37 -13.616 -11.342 0.777 1.00 0.00 O ATOM 339 CB TYR A 37 -13.889 -11.289 4.156 1.00 0.00 C ATOM 340 CG TYR A 37 -15.278 -11.659 3.698 1.00 0.00 C ATOM 341 CD1 TYR A 37 -15.752 -12.964 3.882 1.00 0.00 C ATOM 342 CD2 TYR A 37 -16.098 -10.694 3.102 1.00 0.00 C ATOM 343 CE1 TYR A 37 -17.045 -13.303 3.466 1.00 0.00 C ATOM 344 CE2 TYR A 37 -17.390 -11.034 2.685 1.00 0.00 C ATOM 345 CZ TYR A 37 -17.864 -12.338 2.869 1.00 0.00 C ATOM 346 OH TYR A 37 -19.139 -12.674 2.462 1.00 0.00 O ATOM 0 H TYR A 37 -11.471 -10.818 4.451 1.00 0.00 H new ATOM 0 HA TYR A 37 -12.895 -12.637 2.793 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -13.627 -11.857 5.049 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -13.855 -10.234 4.428 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -15.121 -13.708 4.344 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.734 -9.687 2.964 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -17.411 -14.310 3.606 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -18.021 -10.290 2.221 1.00 0.00 H new ATOM 0 HH TYR A 37 -19.574 -11.889 2.069 1.00 0.00 H new ATOM 356 N ARG A 38 -13.152 -9.477 1.824 1.00 0.00 N ATOM 357 CA ARG A 38 -13.490 -8.697 0.602 1.00 0.00 C ATOM 358 C ARG A 38 -12.416 -8.936 -0.469 1.00 0.00 C ATOM 359 O ARG A 38 -12.708 -9.042 -1.643 1.00 0.00 O ATOM 360 CB ARG A 38 -13.612 -7.200 0.928 1.00 0.00 C ATOM 361 CG ARG A 38 -12.321 -6.668 1.574 1.00 0.00 C ATOM 362 CD ARG A 38 -12.425 -5.136 1.801 1.00 0.00 C ATOM 363 NE ARG A 38 -12.027 -4.783 3.206 1.00 0.00 N ATOM 364 CZ ARG A 38 -12.608 -5.326 4.244 1.00 0.00 C ATOM 365 NH1 ARG A 38 -13.617 -6.137 4.085 1.00 0.00 N ATOM 366 NH2 ARG A 38 -12.191 -5.036 5.444 1.00 0.00 N ATOM 0 H ARG A 38 -12.855 -8.929 2.631 1.00 0.00 H new ATOM 0 HA ARG A 38 -14.454 -9.032 0.220 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -13.823 -6.642 0.016 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -14.453 -7.039 1.602 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -12.147 -7.172 2.524 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.467 -6.891 0.934 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.782 -4.613 1.093 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.445 -4.803 1.611 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.283 -4.101 3.354 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.957 -6.351 3.147 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.066 -6.558 4.898 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.414 -4.387 5.571 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -12.642 -5.457 6.256 1.00 0.00 H new ATOM 380 N ALA A 39 -11.173 -8.997 -0.069 1.00 0.00 N ATOM 381 CA ALA A 39 -10.070 -9.199 -1.051 1.00 0.00 C ATOM 382 C ALA A 39 -10.212 -10.543 -1.777 1.00 0.00 C ATOM 383 O ALA A 39 -9.900 -10.648 -2.947 1.00 0.00 O ATOM 384 CB ALA A 39 -8.723 -9.157 -0.323 1.00 0.00 C ATOM 0 H ALA A 39 -10.874 -8.915 0.903 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.122 -8.400 -1.791 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.916 -9.305 -1.041 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.603 -8.189 0.164 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.690 -9.947 0.427 1.00 0.00 H new ATOM 390 N ASN A 40 -10.656 -11.578 -1.112 1.00 0.00 N ATOM 391 CA ASN A 40 -10.774 -12.894 -1.804 1.00 0.00 C ATOM 392 C ASN A 40 -11.823 -12.788 -2.913 1.00 0.00 C ATOM 393 O ASN A 40 -11.653 -13.317 -3.994 1.00 0.00 O ATOM 394 CB ASN A 40 -11.208 -13.969 -0.799 1.00 0.00 C ATOM 395 CG ASN A 40 -10.065 -14.259 0.177 1.00 0.00 C ATOM 396 OD1 ASN A 40 -8.921 -13.963 -0.101 1.00 0.00 O ATOM 397 ND2 ASN A 40 -10.329 -14.848 1.314 1.00 0.00 N ATOM 0 H ASN A 40 -10.939 -11.570 -0.132 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.809 -13.166 -2.232 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -12.089 -13.634 -0.252 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -11.488 -14.881 -1.326 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.574 -15.058 1.967 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -11.290 -15.097 1.548 1.00 0.00 H new ATOM 404 N VAL A 41 -12.901 -12.101 -2.656 1.00 0.00 N ATOM 405 CA VAL A 41 -13.954 -11.953 -3.700 1.00 0.00 C ATOM 406 C VAL A 41 -13.411 -11.064 -4.820 1.00 0.00 C ATOM 407 O VAL A 41 -13.637 -11.309 -5.989 1.00 0.00 O ATOM 408 CB VAL A 41 -15.191 -11.295 -3.077 1.00 0.00 C ATOM 409 CG1 VAL A 41 -16.195 -10.929 -4.174 1.00 0.00 C ATOM 410 CG2 VAL A 41 -15.839 -12.268 -2.092 1.00 0.00 C ATOM 0 H VAL A 41 -13.099 -11.636 -1.770 1.00 0.00 H new ATOM 0 HA VAL A 41 -14.227 -12.929 -4.101 1.00 0.00 H new ATOM 0 HB VAL A 41 -14.892 -10.388 -2.552 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -17.071 -10.462 -3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -15.732 -10.233 -4.874 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -16.497 -11.831 -4.706 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -16.719 -11.803 -1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -16.135 -13.175 -2.618 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -15.126 -12.520 -1.307 1.00 0.00 H new ATOM 420 N GLN A 42 -12.695 -10.034 -4.465 1.00 0.00 N ATOM 421 CA GLN A 42 -12.133 -9.118 -5.496 1.00 0.00 C ATOM 422 C GLN A 42 -10.866 -9.742 -6.093 1.00 0.00 C ATOM 423 O GLN A 42 -10.184 -10.520 -5.456 1.00 0.00 O ATOM 424 CB GLN A 42 -11.795 -7.777 -4.840 1.00 0.00 C ATOM 425 CG GLN A 42 -13.067 -7.167 -4.246 1.00 0.00 C ATOM 426 CD GLN A 42 -12.719 -5.863 -3.527 1.00 0.00 C ATOM 427 OE1 GLN A 42 -11.671 -5.750 -2.923 1.00 0.00 O ATOM 428 NE2 GLN A 42 -13.560 -4.865 -3.564 1.00 0.00 N ATOM 0 H GLN A 42 -12.474 -9.786 -3.501 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.861 -8.959 -6.291 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.048 -7.920 -4.059 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.362 -7.099 -5.575 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.795 -6.977 -5.035 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.528 -7.867 -3.549 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -14.440 -4.958 -4.071 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -13.337 -3.992 -3.086 1.00 0.00 H new ATOM 437 N GLY A 43 -10.549 -9.412 -7.317 1.00 0.00 N ATOM 438 CA GLY A 43 -9.332 -9.990 -7.960 1.00 0.00 C ATOM 439 C GLY A 43 -8.097 -9.195 -7.541 1.00 0.00 C ATOM 440 O GLY A 43 -7.384 -8.654 -8.363 1.00 0.00 O ATOM 0 H GLY A 43 -11.081 -8.766 -7.900 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.218 -11.035 -7.671 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.438 -9.969 -9.045 1.00 0.00 H new ATOM 444 N TRP A 44 -7.838 -9.117 -6.266 1.00 0.00 N ATOM 445 CA TRP A 44 -6.648 -8.355 -5.791 1.00 0.00 C ATOM 446 C TRP A 44 -5.378 -9.143 -6.108 1.00 0.00 C ATOM 447 O TRP A 44 -5.343 -10.353 -6.003 1.00 0.00 O ATOM 448 CB TRP A 44 -6.735 -8.146 -4.272 1.00 0.00 C ATOM 449 CG TRP A 44 -7.702 -7.051 -3.954 1.00 0.00 C ATOM 450 CD1 TRP A 44 -8.788 -6.731 -4.693 1.00 0.00 C ATOM 451 CD2 TRP A 44 -7.684 -6.124 -2.828 1.00 0.00 C ATOM 452 NE1 TRP A 44 -9.444 -5.674 -4.089 1.00 0.00 N ATOM 453 CE2 TRP A 44 -8.803 -5.263 -2.937 1.00 0.00 C ATOM 454 CE3 TRP A 44 -6.817 -5.949 -1.731 1.00 0.00 C ATOM 455 CZ2 TRP A 44 -9.054 -4.267 -1.996 1.00 0.00 C ATOM 456 CZ3 TRP A 44 -7.066 -4.947 -0.783 1.00 0.00 C ATOM 457 CH2 TRP A 44 -8.183 -4.107 -0.914 1.00 0.00 C ATOM 0 H TRP A 44 -8.399 -9.548 -5.531 1.00 0.00 H new ATOM 0 HA TRP A 44 -6.622 -7.388 -6.294 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -7.050 -9.071 -3.788 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.751 -7.898 -3.875 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.093 -7.221 -5.606 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -10.298 -5.249 -4.451 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.955 -6.591 -1.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.915 -3.623 -2.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.394 -4.820 0.053 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -8.370 -3.338 -0.179 1.00 0.00 H new ATOM 468 N THR A 45 -4.326 -8.463 -6.464 1.00 0.00 N ATOM 469 CA THR A 45 -3.050 -9.168 -6.749 1.00 0.00 C ATOM 470 C THR A 45 -2.399 -9.518 -5.406 1.00 0.00 C ATOM 471 O THR A 45 -2.270 -8.676 -4.538 1.00 0.00 O ATOM 472 CB THR A 45 -2.141 -8.248 -7.582 1.00 0.00 C ATOM 473 OG1 THR A 45 -2.563 -8.283 -8.937 1.00 0.00 O ATOM 474 CG2 THR A 45 -0.678 -8.702 -7.494 1.00 0.00 C ATOM 0 H THR A 45 -4.296 -7.449 -6.570 1.00 0.00 H new ATOM 0 HA THR A 45 -3.219 -10.082 -7.319 1.00 0.00 H new ATOM 0 HB THR A 45 -2.213 -7.234 -7.189 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.989 -7.697 -9.474 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.054 -8.037 -8.091 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.350 -8.672 -6.455 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.589 -9.720 -7.874 1.00 0.00 H new ATOM 482 N LYS A 46 -2.016 -10.759 -5.219 1.00 0.00 N ATOM 483 CA LYS A 46 -1.400 -11.177 -3.916 1.00 0.00 C ATOM 484 C LYS A 46 -0.087 -11.916 -4.174 1.00 0.00 C ATOM 485 O LYS A 46 0.113 -12.510 -5.216 1.00 0.00 O ATOM 486 CB LYS A 46 -2.354 -12.135 -3.189 1.00 0.00 C ATOM 487 CG LYS A 46 -3.760 -11.532 -3.113 1.00 0.00 C ATOM 488 CD LYS A 46 -4.668 -12.456 -2.288 1.00 0.00 C ATOM 489 CE LYS A 46 -6.140 -12.101 -2.535 1.00 0.00 C ATOM 490 NZ LYS A 46 -6.976 -12.627 -1.416 1.00 0.00 N ATOM 0 H LYS A 46 -2.103 -11.502 -5.912 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.215 -10.289 -3.312 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.389 -13.090 -3.712 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.982 -12.335 -2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.719 -10.543 -2.657 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.168 -11.404 -4.116 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.486 -13.496 -2.559 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.434 -12.357 -1.228 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.256 -11.020 -2.612 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.473 -12.526 -3.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.688 -13.284 -1.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.370 -13.128 -0.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.454 -11.836 -0.938 1.00 0.00 H new ATOM 504 N ARG A 47 0.806 -11.896 -3.217 1.00 0.00 N ATOM 505 CA ARG A 47 2.109 -12.611 -3.373 1.00 0.00 C ATOM 506 C ARG A 47 2.517 -13.196 -2.018 1.00 0.00 C ATOM 507 O ARG A 47 2.249 -12.621 -0.978 1.00 0.00 O ATOM 508 CB ARG A 47 3.187 -11.634 -3.866 1.00 0.00 C ATOM 509 CG ARG A 47 3.335 -10.470 -2.880 1.00 0.00 C ATOM 510 CD ARG A 47 4.436 -9.525 -3.370 1.00 0.00 C ATOM 511 NE ARG A 47 5.711 -10.287 -3.590 1.00 0.00 N ATOM 512 CZ ARG A 47 6.279 -10.975 -2.635 1.00 0.00 C ATOM 513 NH1 ARG A 47 5.858 -10.881 -1.407 1.00 0.00 N ATOM 514 NH2 ARG A 47 7.315 -11.720 -2.904 1.00 0.00 N ATOM 0 H ARG A 47 0.687 -11.411 -2.328 1.00 0.00 H new ATOM 0 HA ARG A 47 2.004 -13.412 -4.104 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.139 -12.154 -3.972 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.920 -11.254 -4.852 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.391 -9.932 -2.792 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.580 -10.848 -1.888 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.126 -9.044 -4.298 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.598 -8.733 -2.639 1.00 0.00 H new ATOM 0 HE ARG A 47 6.147 -10.267 -4.512 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.077 -10.265 -1.181 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.309 -11.423 -0.670 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.678 -11.764 -3.856 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.762 -12.259 -2.162 1.00 0.00 H new ATOM 678 N VAL A 58 1.515 -12.223 3.902 1.00 0.00 N ATOM 679 CA VAL A 58 0.669 -11.993 2.683 1.00 0.00 C ATOM 680 C VAL A 58 0.711 -10.505 2.324 1.00 0.00 C ATOM 681 O VAL A 58 0.616 -9.655 3.186 1.00 0.00 O ATOM 682 CB VAL A 58 -0.774 -12.403 2.986 1.00 0.00 C ATOM 683 CG1 VAL A 58 -1.646 -12.172 1.751 1.00 0.00 C ATOM 684 CG2 VAL A 58 -0.814 -13.885 3.368 1.00 0.00 C ATOM 0 HA VAL A 58 1.047 -12.585 1.850 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.153 -11.802 3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.673 -12.465 1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.620 -11.117 1.479 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.268 -12.769 0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.842 -14.177 3.584 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.432 -14.484 2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.197 -14.050 4.251 1.00 0.00 H new ATOM 694 N GLU A 59 0.869 -10.181 1.060 1.00 0.00 N ATOM 695 CA GLU A 59 0.937 -8.738 0.645 1.00 0.00 C ATOM 696 C GLU A 59 -0.040 -8.468 -0.501 1.00 0.00 C ATOM 697 O GLU A 59 -0.412 -9.362 -1.239 1.00 0.00 O ATOM 698 CB GLU A 59 2.357 -8.419 0.179 1.00 0.00 C ATOM 699 CG GLU A 59 3.300 -8.451 1.380 1.00 0.00 C ATOM 700 CD GLU A 59 4.724 -8.134 0.921 1.00 0.00 C ATOM 701 OE1 GLU A 59 4.941 -8.086 -0.278 1.00 0.00 O ATOM 702 OE2 GLU A 59 5.569 -7.936 1.777 1.00 0.00 O ATOM 0 H GLU A 59 0.954 -10.853 0.297 1.00 0.00 H new ATOM 0 HA GLU A 59 0.669 -8.110 1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.678 -9.143 -0.570 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.385 -7.438 -0.294 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.978 -7.726 2.128 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.269 -9.432 1.853 1.00 0.00 H new ATOM 709 N TYR A 60 -0.463 -7.232 -0.647 1.00 0.00 N ATOM 710 CA TYR A 60 -1.426 -6.864 -1.732 1.00 0.00 C ATOM 711 C TYR A 60 -0.867 -5.669 -2.503 1.00 0.00 C ATOM 712 O TYR A 60 -0.161 -4.846 -1.955 1.00 0.00 O ATOM 713 CB TYR A 60 -2.752 -6.452 -1.092 1.00 0.00 C ATOM 714 CG TYR A 60 -3.306 -7.600 -0.286 1.00 0.00 C ATOM 715 CD1 TYR A 60 -2.964 -7.729 1.066 1.00 0.00 C ATOM 716 CD2 TYR A 60 -4.166 -8.527 -0.881 1.00 0.00 C ATOM 717 CE1 TYR A 60 -3.480 -8.787 1.821 1.00 0.00 C ATOM 718 CE2 TYR A 60 -4.682 -9.586 -0.124 1.00 0.00 C ATOM 719 CZ TYR A 60 -4.340 -9.716 1.226 1.00 0.00 C ATOM 720 OH TYR A 60 -4.849 -10.759 1.970 1.00 0.00 O ATOM 0 H TYR A 60 -0.177 -6.455 -0.052 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.575 -7.710 -2.403 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.603 -5.583 -0.451 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.464 -6.160 -1.864 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.301 -7.011 1.526 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.432 -8.427 -1.923 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.215 -8.887 2.863 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.345 -10.304 -0.583 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.186 -11.042 2.634 1.00 0.00 H new ATOM 730 N ASP A 61 -1.177 -5.555 -3.768 1.00 0.00 N ATOM 731 CA ASP A 61 -0.661 -4.401 -4.567 1.00 0.00 C ATOM 732 C ASP A 61 -1.700 -3.279 -4.563 1.00 0.00 C ATOM 733 O ASP A 61 -2.820 -3.456 -4.998 1.00 0.00 O ATOM 734 CB ASP A 61 -0.405 -4.846 -6.006 1.00 0.00 C ATOM 735 CG ASP A 61 0.241 -3.698 -6.782 1.00 0.00 C ATOM 736 OD1 ASP A 61 0.010 -2.557 -6.417 1.00 0.00 O ATOM 737 OD2 ASP A 61 0.954 -3.977 -7.732 1.00 0.00 O ATOM 0 H ASP A 61 -1.765 -6.210 -4.283 1.00 0.00 H new ATOM 0 HA ASP A 61 0.270 -4.043 -4.127 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.246 -5.720 -6.018 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.342 -5.139 -6.480 1.00 0.00 H new ATOM 742 N VAL A 62 -1.338 -2.123 -4.078 1.00 0.00 N ATOM 743 CA VAL A 62 -2.293 -0.978 -4.043 1.00 0.00 C ATOM 744 C VAL A 62 -2.709 -0.598 -5.470 1.00 0.00 C ATOM 745 O VAL A 62 -3.814 -0.153 -5.709 1.00 0.00 O ATOM 746 CB VAL A 62 -1.601 0.220 -3.381 1.00 0.00 C ATOM 747 CG1 VAL A 62 -2.483 1.466 -3.506 1.00 0.00 C ATOM 748 CG2 VAL A 62 -1.355 -0.085 -1.901 1.00 0.00 C ATOM 0 H VAL A 62 -0.412 -1.921 -3.701 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.181 -1.261 -3.478 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.649 0.403 -3.879 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.985 2.313 -3.034 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.654 1.687 -4.560 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.439 1.286 -3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.863 0.767 -1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.307 -0.273 -1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.719 -0.966 -1.812 1.00 0.00 H new ATOM 758 N MET A 63 -1.814 -0.736 -6.408 1.00 0.00 N ATOM 759 CA MET A 63 -2.121 -0.349 -7.817 1.00 0.00 C ATOM 760 C MET A 63 -3.100 -1.338 -8.459 1.00 0.00 C ATOM 761 O MET A 63 -3.417 -1.226 -9.627 1.00 0.00 O ATOM 762 CB MET A 63 -0.817 -0.343 -8.618 1.00 0.00 C ATOM 763 CG MET A 63 0.077 0.797 -8.127 1.00 0.00 C ATOM 764 SD MET A 63 1.642 0.781 -9.040 1.00 0.00 S ATOM 765 CE MET A 63 1.003 1.262 -10.666 1.00 0.00 C ATOM 0 H MET A 63 -0.874 -1.103 -6.259 1.00 0.00 H new ATOM 0 HA MET A 63 -2.581 0.639 -7.819 1.00 0.00 H new ATOM 0 HB2 MET A 63 -0.303 -1.297 -8.504 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.030 -0.221 -9.680 1.00 0.00 H new ATOM 0 HG2 MET A 63 -0.427 1.753 -8.267 1.00 0.00 H new ATOM 0 HG3 MET A 63 0.267 0.689 -7.059 1.00 0.00 H new ATOM 0 HE1 MET A 63 1.793 1.748 -11.238 1.00 0.00 H new ATOM 0 HE2 MET A 63 0.662 0.375 -11.200 1.00 0.00 H new ATOM 0 HE3 MET A 63 0.169 1.953 -10.540 1.00 0.00 H new ATOM 775 N SER A 64 -3.574 -2.310 -7.719 1.00 0.00 N ATOM 776 CA SER A 64 -4.528 -3.312 -8.300 1.00 0.00 C ATOM 777 C SER A 64 -5.946 -3.070 -7.771 1.00 0.00 C ATOM 778 O SER A 64 -6.919 -3.401 -8.418 1.00 0.00 O ATOM 779 CB SER A 64 -4.081 -4.716 -7.895 1.00 0.00 C ATOM 780 OG SER A 64 -4.964 -5.673 -8.467 1.00 0.00 O ATOM 0 H SER A 64 -3.343 -2.455 -6.736 1.00 0.00 H new ATOM 0 HA SER A 64 -4.531 -3.211 -9.385 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.061 -4.897 -8.234 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.078 -4.810 -6.809 1.00 0.00 H new ATOM 0 HG SER A 64 -4.594 -6.572 -8.347 1.00 0.00 H new ATOM 786 N MET A 65 -6.077 -2.492 -6.607 1.00 0.00 N ATOM 787 CA MET A 65 -7.442 -2.230 -6.053 1.00 0.00 C ATOM 788 C MET A 65 -8.014 -0.940 -6.663 1.00 0.00 C ATOM 789 O MET A 65 -7.273 -0.046 -7.024 1.00 0.00 O ATOM 790 CB MET A 65 -7.362 -2.091 -4.529 1.00 0.00 C ATOM 791 CG MET A 65 -6.125 -1.279 -4.148 1.00 0.00 C ATOM 792 SD MET A 65 -6.224 -0.826 -2.399 1.00 0.00 S ATOM 793 CE MET A 65 -5.432 -2.314 -1.737 1.00 0.00 C ATOM 0 H MET A 65 -5.303 -2.190 -6.016 1.00 0.00 H new ATOM 0 HA MET A 65 -8.097 -3.064 -6.304 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.260 -1.602 -4.152 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.318 -3.077 -4.066 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.222 -1.861 -4.335 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.060 -0.383 -4.765 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.816 -2.516 -0.737 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.649 -3.161 -2.387 1.00 0.00 H new ATOM 0 HE3 MET A 65 -4.354 -2.161 -1.687 1.00 0.00 H new ATOM 803 N PRO A 66 -9.320 -0.829 -6.770 1.00 0.00 N ATOM 804 CA PRO A 66 -9.978 0.383 -7.331 1.00 0.00 C ATOM 805 C PRO A 66 -9.247 1.678 -6.949 1.00 0.00 C ATOM 806 O PRO A 66 -8.485 1.719 -6.004 1.00 0.00 O ATOM 807 CB PRO A 66 -11.370 0.336 -6.702 1.00 0.00 C ATOM 808 CG PRO A 66 -11.673 -1.125 -6.567 1.00 0.00 C ATOM 809 CD PRO A 66 -10.322 -1.840 -6.372 1.00 0.00 C ATOM 0 HA PRO A 66 -9.986 0.384 -8.421 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.385 0.835 -5.733 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.106 0.837 -7.330 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.333 -1.307 -5.719 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -12.184 -1.498 -7.455 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.183 -2.154 -5.338 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.252 -2.736 -6.989 1.00 0.00 H new ATOM 817 N THR A 67 -9.478 2.730 -7.683 1.00 0.00 N ATOM 818 CA THR A 67 -8.805 4.025 -7.381 1.00 0.00 C ATOM 819 C THR A 67 -9.347 4.611 -6.071 1.00 0.00 C ATOM 820 O THR A 67 -8.648 5.303 -5.359 1.00 0.00 O ATOM 821 CB THR A 67 -9.067 5.008 -8.529 1.00 0.00 C ATOM 822 OG1 THR A 67 -8.402 4.554 -9.699 1.00 0.00 O ATOM 823 CG2 THR A 67 -8.551 6.403 -8.157 1.00 0.00 C ATOM 0 H THR A 67 -10.108 2.749 -8.485 1.00 0.00 H new ATOM 0 HA THR A 67 -7.733 3.856 -7.274 1.00 0.00 H new ATOM 0 HB THR A 67 -10.140 5.064 -8.713 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.570 5.180 -10.434 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.742 7.093 -8.979 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.064 6.754 -7.262 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.479 6.355 -7.965 1.00 0.00 H new ATOM 831 N LYS A 68 -10.592 4.370 -5.762 1.00 0.00 N ATOM 832 CA LYS A 68 -11.174 4.950 -4.516 1.00 0.00 C ATOM 833 C LYS A 68 -10.402 4.468 -3.283 1.00 0.00 C ATOM 834 O LYS A 68 -10.106 5.242 -2.395 1.00 0.00 O ATOM 835 CB LYS A 68 -12.637 4.521 -4.398 1.00 0.00 C ATOM 836 CG LYS A 68 -13.463 5.230 -5.471 1.00 0.00 C ATOM 837 CD LYS A 68 -14.925 4.799 -5.352 1.00 0.00 C ATOM 838 CE LYS A 68 -15.752 5.507 -6.426 1.00 0.00 C ATOM 839 NZ LYS A 68 -17.172 5.066 -6.328 1.00 0.00 N ATOM 0 H LYS A 68 -11.230 3.799 -6.316 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.104 6.037 -4.568 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.721 3.440 -4.514 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -13.020 4.766 -3.408 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -13.380 6.311 -5.355 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.080 4.986 -6.462 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.008 3.718 -5.467 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -15.308 5.044 -4.362 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.686 6.587 -6.298 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.356 5.278 -7.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.736 5.547 -7.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.227 4.037 -6.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.546 5.306 -5.388 1.00 0.00 H new ATOM 853 N GLU A 69 -10.059 3.210 -3.213 1.00 0.00 N ATOM 854 CA GLU A 69 -9.299 2.727 -2.023 1.00 0.00 C ATOM 855 C GLU A 69 -7.936 3.420 -1.997 1.00 0.00 C ATOM 856 O GLU A 69 -7.407 3.736 -0.950 1.00 0.00 O ATOM 857 CB GLU A 69 -9.098 1.206 -2.094 1.00 0.00 C ATOM 858 CG GLU A 69 -10.432 0.477 -1.879 1.00 0.00 C ATOM 859 CD GLU A 69 -10.989 0.786 -0.486 1.00 0.00 C ATOM 860 OE1 GLU A 69 -10.214 1.180 0.368 1.00 0.00 O ATOM 861 OE2 GLU A 69 -12.185 0.626 -0.299 1.00 0.00 O ATOM 0 H GLU A 69 -10.268 2.503 -3.918 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.860 2.961 -1.118 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.680 0.933 -3.063 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.379 0.892 -1.337 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.149 0.784 -2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.289 -0.598 -1.991 1.00 0.00 H new ATOM 868 N ARG A 70 -7.366 3.657 -3.146 1.00 0.00 N ATOM 869 CA ARG A 70 -6.036 4.326 -3.199 1.00 0.00 C ATOM 870 C ARG A 70 -6.143 5.700 -2.530 1.00 0.00 C ATOM 871 O ARG A 70 -5.261 6.111 -1.800 1.00 0.00 O ATOM 872 CB ARG A 70 -5.607 4.476 -4.663 1.00 0.00 C ATOM 873 CG ARG A 70 -4.208 5.089 -4.735 1.00 0.00 C ATOM 874 CD ARG A 70 -3.748 5.123 -6.194 1.00 0.00 C ATOM 875 NE ARG A 70 -2.298 5.502 -6.258 1.00 0.00 N ATOM 876 CZ ARG A 70 -1.867 6.630 -5.765 1.00 0.00 C ATOM 877 NH1 ARG A 70 -2.710 7.543 -5.373 1.00 0.00 N ATOM 878 NH2 ARG A 70 -0.584 6.865 -5.711 1.00 0.00 N ATOM 0 H ARG A 70 -7.765 3.415 -4.053 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.291 3.730 -2.672 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.613 3.503 -5.154 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.318 5.107 -5.197 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.218 6.097 -4.321 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.511 4.505 -4.135 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.900 4.147 -6.656 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.346 5.839 -6.757 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.634 4.864 -6.697 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.714 7.378 -5.451 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.366 8.423 -4.988 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.077 6.168 -6.054 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.243 7.746 -5.326 1.00 0.00 H new ATOM 892 N GLU A 71 -7.219 6.406 -2.749 1.00 0.00 N ATOM 893 CA GLU A 71 -7.370 7.736 -2.092 1.00 0.00 C ATOM 894 C GLU A 71 -7.352 7.530 -0.575 1.00 0.00 C ATOM 895 O GLU A 71 -6.750 8.286 0.161 1.00 0.00 O ATOM 896 CB GLU A 71 -8.702 8.363 -2.506 1.00 0.00 C ATOM 897 CG GLU A 71 -8.646 8.770 -3.980 1.00 0.00 C ATOM 898 CD GLU A 71 -7.688 9.950 -4.155 1.00 0.00 C ATOM 899 OE1 GLU A 71 -7.321 10.546 -3.155 1.00 0.00 O ATOM 900 OE2 GLU A 71 -7.337 10.239 -5.287 1.00 0.00 O ATOM 0 H GLU A 71 -7.994 6.123 -3.349 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.557 8.397 -2.392 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.514 7.654 -2.345 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.913 9.234 -1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.315 7.928 -4.587 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.642 9.043 -4.330 1.00 0.00 H new ATOM 907 N GLN A 72 -8.002 6.496 -0.111 1.00 0.00 N ATOM 908 CA GLN A 72 -8.024 6.212 1.352 1.00 0.00 C ATOM 909 C GLN A 72 -6.608 5.849 1.806 1.00 0.00 C ATOM 910 O GLN A 72 -6.162 6.249 2.865 1.00 0.00 O ATOM 911 CB GLN A 72 -8.975 5.040 1.640 1.00 0.00 C ATOM 912 CG GLN A 72 -10.434 5.516 1.595 1.00 0.00 C ATOM 913 CD GLN A 72 -10.830 5.841 0.155 1.00 0.00 C ATOM 914 OE1 GLN A 72 -10.461 6.872 -0.369 1.00 0.00 O ATOM 915 NE2 GLN A 72 -11.577 5.002 -0.511 1.00 0.00 N ATOM 0 H GLN A 72 -8.521 5.833 -0.686 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.373 7.092 1.893 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.821 4.248 0.907 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.754 4.615 2.619 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -11.090 4.744 1.997 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.558 6.398 2.223 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.887 4.136 -0.071 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.850 5.213 -1.471 1.00 0.00 H new ATOM 924 N VAL A 73 -5.895 5.097 1.013 1.00 0.00 N ATOM 925 CA VAL A 73 -4.510 4.715 1.402 1.00 0.00 C ATOM 926 C VAL A 73 -3.632 5.970 1.368 1.00 0.00 C ATOM 927 O VAL A 73 -2.870 6.231 2.276 1.00 0.00 O ATOM 928 CB VAL A 73 -3.972 3.680 0.408 1.00 0.00 C ATOM 929 CG1 VAL A 73 -2.484 3.433 0.667 1.00 0.00 C ATOM 930 CG2 VAL A 73 -4.743 2.369 0.572 1.00 0.00 C ATOM 0 H VAL A 73 -6.212 4.732 0.115 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.503 4.285 2.403 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.101 4.056 -0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.108 2.696 -0.043 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.934 4.366 0.547 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.348 3.060 1.682 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.362 1.632 -0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.616 1.997 1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.802 2.543 0.379 1.00 0.00 H new ATOM 940 N ILE A 74 -3.752 6.753 0.330 1.00 0.00 N ATOM 941 CA ILE A 74 -2.946 8.006 0.227 1.00 0.00 C ATOM 942 C ILE A 74 -3.278 8.915 1.414 1.00 0.00 C ATOM 943 O ILE A 74 -2.405 9.458 2.068 1.00 0.00 O ATOM 944 CB ILE A 74 -3.306 8.720 -1.083 1.00 0.00 C ATOM 945 CG1 ILE A 74 -2.811 7.890 -2.290 1.00 0.00 C ATOM 946 CG2 ILE A 74 -2.681 10.122 -1.107 1.00 0.00 C ATOM 947 CD1 ILE A 74 -1.316 8.134 -2.576 1.00 0.00 C ATOM 0 H ILE A 74 -4.377 6.578 -0.457 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.882 7.770 0.237 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.389 8.820 -1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -2.976 6.830 -2.095 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.397 8.147 -3.173 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.942 10.621 -2.040 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.060 10.704 -0.267 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.597 10.038 -1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.006 7.533 -3.431 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.155 9.189 -2.797 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.728 7.853 -1.703 1.00 0.00 H new ATOM 959 N ALA A 75 -4.540 9.087 1.692 1.00 0.00 N ATOM 960 CA ALA A 75 -4.949 9.959 2.826 1.00 0.00 C ATOM 961 C ALA A 75 -4.360 9.414 4.128 1.00 0.00 C ATOM 962 O ALA A 75 -3.994 10.159 5.012 1.00 0.00 O ATOM 963 CB ALA A 75 -6.476 9.981 2.925 1.00 0.00 C ATOM 0 H ALA A 75 -5.310 8.658 1.179 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.581 10.971 2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.778 10.619 3.755 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.895 10.370 1.997 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.844 8.969 3.093 1.00 0.00 H new ATOM 969 N HIS A 76 -4.272 8.119 4.256 1.00 0.00 N ATOM 970 CA HIS A 76 -3.720 7.530 5.508 1.00 0.00 C ATOM 971 C HIS A 76 -2.282 8.008 5.729 1.00 0.00 C ATOM 972 O HIS A 76 -1.890 8.315 6.838 1.00 0.00 O ATOM 973 CB HIS A 76 -3.738 6.006 5.403 1.00 0.00 C ATOM 974 CG HIS A 76 -3.180 5.415 6.666 1.00 0.00 C ATOM 975 ND1 HIS A 76 -1.894 5.265 7.117 1.00 0.00 N flip ATOM 976 CD2 HIS A 76 -3.993 4.889 7.658 1.00 0.00 C flip ATOM 977 CE1 HIS A 76 -1.902 4.656 8.367 1.00 0.00 C flip ATOM 978 NE2 HIS A 76 -3.193 4.451 8.647 1.00 0.00 N flip ATOM 0 H HIS A 76 -4.558 7.443 3.548 1.00 0.00 H new ATOM 0 HA HIS A 76 -4.333 7.850 6.351 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.757 5.653 5.242 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -3.149 5.682 4.545 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -5.072 4.840 7.640 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -1.049 4.403 8.980 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -3.530 4.016 9.506 1.00 0.00 H new ATOM 986 N LEU A 77 -1.490 8.080 4.694 1.00 0.00 N ATOM 987 CA LEU A 77 -0.086 8.545 4.874 1.00 0.00 C ATOM 988 C LEU A 77 -0.101 9.964 5.443 1.00 0.00 C ATOM 989 O LEU A 77 0.716 10.318 6.269 1.00 0.00 O ATOM 990 CB LEU A 77 0.652 8.543 3.525 1.00 0.00 C ATOM 991 CG LEU A 77 1.100 7.121 3.158 1.00 0.00 C ATOM 992 CD1 LEU A 77 -0.102 6.289 2.717 1.00 0.00 C ATOM 993 CD2 LEU A 77 2.111 7.191 2.010 1.00 0.00 C ATOM 0 H LEU A 77 -1.752 7.839 3.738 1.00 0.00 H new ATOM 0 HA LEU A 77 0.431 7.872 5.559 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.001 8.937 2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.519 9.201 3.577 1.00 0.00 H new ATOM 0 HG LEU A 77 1.557 6.655 4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.227 5.282 2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.826 6.237 3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.566 6.753 1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.432 6.183 1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.646 7.662 1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.975 7.777 2.322 1.00 0.00 H new