USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 572 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 11 ASN : amide:sc= -0.161! C(o=-0.016!,f=-2!) USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= 0.145 USER MOD Set 2.1: A 63 GLN : amide:sc= -2.05! K(o=-2.6!,f=-4.4) USER MOD Set 2.2: A 87 HIS : no HD1:sc= -0.555 K(o=-2.6,f=-4.7) USER MOD Set 3.1: A 31 SER OG : rot -170:sc= -0.0113 USER MOD Set 3.2: A 70 ASN : amide:sc= -2.83! C(o=-2.8!,f=-8.9!) USER MOD Set 4.1: A 9 MET CE :methyl 165:sc= -0.915 (180deg=-1.31) USER MOD Set 4.2: A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 41:sc= 0.165 USER MOD Single : A 22 LYS NZ :NH3+ 171:sc= 0.716 (180deg=0.594) USER MOD Single : A 29 ASN : amide:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : A 33 SER OG : rot 120:sc= 1.26 USER MOD Single : A 37 LYS NZ :NH3+ 144:sc= -0.0568 (180deg=-0.445) USER MOD Single : A 38 HIS : no HD1:sc= -0.208 X(o=-0.21,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 133:sc= -0.0401 USER MOD Single : A 68 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.022) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00517 USER MOD Single : A 77 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0384) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 120:sc= -0.0603 USER MOD Single : A 86 MET CE :methyl 141:sc= -0.295 (180deg=-1.05) USER MOD ----------------------------------------------------------------- ATOM 37 N VAL A 5 -11.916 -14.873 7.925 1.00 73.23 N ATOM 38 CA VAL A 5 -12.309 -13.673 7.229 1.00 71.44 C ATOM 39 C VAL A 5 -13.842 -13.535 7.260 1.00 33.51 C ATOM 40 O VAL A 5 -14.555 -14.433 6.801 1.00 23.45 O ATOM 41 CB VAL A 5 -11.817 -13.682 5.763 1.00 54.05 C ATOM 42 CG1 VAL A 5 -12.090 -12.346 5.091 1.00 74.43 C ATOM 43 CG2 VAL A 5 -10.341 -14.030 5.681 1.00 4.55 C ATOM 0 HA VAL A 5 -11.849 -12.824 7.734 1.00 71.44 H new ATOM 0 HB VAL A 5 -12.375 -14.453 5.231 1.00 54.05 H new ATOM 0 HG11 VAL A 5 -11.735 -12.378 4.061 1.00 74.43 H new ATOM 0 HG12 VAL A 5 -13.162 -12.147 5.099 1.00 74.43 H new ATOM 0 HG13 VAL A 5 -11.569 -11.554 5.630 1.00 74.43 H new ATOM 0 HG21 VAL A 5 -10.024 -14.028 4.638 1.00 4.55 H new ATOM 0 HG22 VAL A 5 -9.762 -13.293 6.237 1.00 4.55 H new ATOM 0 HG23 VAL A 5 -10.176 -15.019 6.109 1.00 4.55 H new ATOM 53 N PRO A 6 -14.362 -12.418 7.813 1.00 74.23 N ATOM 54 CA PRO A 6 -15.802 -12.196 7.924 1.00 31.11 C ATOM 55 C PRO A 6 -16.477 -12.085 6.567 1.00 34.55 C ATOM 56 O PRO A 6 -15.920 -11.485 5.636 1.00 60.53 O ATOM 57 CB PRO A 6 -15.945 -10.862 8.666 1.00 62.12 C ATOM 58 CG PRO A 6 -14.581 -10.453 9.093 1.00 62.14 C ATOM 59 CD PRO A 6 -13.581 -11.301 8.360 1.00 64.51 C ATOM 0 HA PRO A 6 -16.276 -13.033 8.437 1.00 31.11 H new ATOM 0 HB2 PRO A 6 -16.389 -10.106 8.018 1.00 62.12 H new ATOM 0 HB3 PRO A 6 -16.603 -10.969 9.528 1.00 62.12 H new ATOM 0 HG2 PRO A 6 -14.416 -9.398 8.875 1.00 62.14 H new ATOM 0 HG3 PRO A 6 -14.467 -10.578 10.170 1.00 62.14 H new ATOM 0 HD2 PRO A 6 -13.090 -10.737 7.567 1.00 64.51 H new ATOM 0 HD3 PRO A 6 -12.798 -11.657 9.030 1.00 64.51 H new ATOM 67 N ALA A 7 -17.685 -12.630 6.452 1.00 73.13 N ATOM 68 CA ALA A 7 -18.437 -12.556 5.235 1.00 54.15 C ATOM 69 C ALA A 7 -19.107 -11.199 5.124 1.00 51.20 C ATOM 70 O ALA A 7 -20.316 -11.046 5.320 1.00 3.12 O ATOM 71 CB ALA A 7 -19.435 -13.688 5.110 1.00 65.10 C ATOM 0 H ALA A 7 -18.156 -13.131 7.206 1.00 73.13 H new ATOM 0 HA ALA A 7 -17.745 -12.670 4.401 1.00 54.15 H new ATOM 0 HB1 ALA A 7 -19.981 -13.590 4.172 1.00 65.10 H new ATOM 0 HB2 ALA A 7 -18.907 -14.642 5.124 1.00 65.10 H new ATOM 0 HB3 ALA A 7 -20.136 -13.649 5.944 1.00 65.10 H new ATOM 77 N ASP A 8 -18.275 -10.236 4.896 1.00 23.21 N ATOM 78 CA ASP A 8 -18.620 -8.837 4.745 1.00 20.14 C ATOM 79 C ASP A 8 -17.380 -8.190 4.207 1.00 14.32 C ATOM 80 O ASP A 8 -17.415 -7.322 3.340 1.00 74.11 O ATOM 81 CB ASP A 8 -18.942 -8.200 6.118 1.00 30.14 C ATOM 82 CG ASP A 8 -19.447 -6.758 6.022 1.00 62.12 C ATOM 83 OD1 ASP A 8 -18.655 -5.837 5.725 1.00 32.33 O ATOM 84 OD2 ASP A 8 -20.654 -6.534 6.274 1.00 71.54 O ATOM 0 H ASP A 8 -17.273 -10.402 4.802 1.00 23.21 H new ATOM 0 HA ASP A 8 -19.491 -8.713 4.102 1.00 20.14 H new ATOM 0 HB2 ASP A 8 -19.694 -8.806 6.623 1.00 30.14 H new ATOM 0 HB3 ASP A 8 -18.046 -8.222 6.738 1.00 30.14 H new ATOM 89 N MET A 9 -16.264 -8.686 4.709 1.00 32.15 N ATOM 90 CA MET A 9 -14.963 -8.188 4.373 1.00 13.11 C ATOM 91 C MET A 9 -14.312 -9.136 3.386 1.00 75.24 C ATOM 92 O MET A 9 -14.674 -10.319 3.302 1.00 53.34 O ATOM 93 CB MET A 9 -14.081 -8.146 5.640 1.00 62.13 C ATOM 94 CG MET A 9 -14.686 -7.394 6.824 1.00 22.30 C ATOM 95 SD MET A 9 -14.929 -5.628 6.550 1.00 14.35 S ATOM 96 CE MET A 9 -13.238 -5.063 6.401 1.00 14.35 C ATOM 0 H MET A 9 -16.247 -9.460 5.373 1.00 32.15 H new ATOM 0 HA MET A 9 -15.061 -7.190 3.947 1.00 13.11 H new ATOM 0 HB2 MET A 9 -13.867 -9.169 5.950 1.00 62.13 H new ATOM 0 HB3 MET A 9 -13.127 -7.684 5.385 1.00 62.13 H new ATOM 0 HG2 MET A 9 -15.647 -7.845 7.071 1.00 22.30 H new ATOM 0 HG3 MET A 9 -14.039 -7.528 7.691 1.00 22.30 H new ATOM 0 HE1 MET A 9 -13.226 -4.062 5.971 1.00 14.35 H new ATOM 0 HE2 MET A 9 -12.774 -5.040 7.387 1.00 14.35 H new ATOM 0 HE3 MET A 9 -12.683 -5.742 5.754 1.00 14.35 H new ATOM 106 N ILE A 10 -13.393 -8.633 2.653 1.00 74.35 N ATOM 107 CA ILE A 10 -12.579 -9.431 1.781 1.00 31.14 C ATOM 108 C ILE A 10 -11.131 -9.297 2.253 1.00 12.41 C ATOM 109 O ILE A 10 -10.727 -8.217 2.700 1.00 72.32 O ATOM 110 CB ILE A 10 -12.790 -9.063 0.241 1.00 41.13 C ATOM 111 CG1 ILE A 10 -12.618 -7.579 -0.074 1.00 53.32 C ATOM 112 CG2 ILE A 10 -14.128 -9.516 -0.274 1.00 73.50 C ATOM 113 CD1 ILE A 10 -11.207 -7.108 -0.187 1.00 42.31 C ATOM 0 H ILE A 10 -13.171 -7.638 2.632 1.00 74.35 H new ATOM 0 HA ILE A 10 -12.876 -10.478 1.838 1.00 31.14 H new ATOM 0 HB ILE A 10 -11.995 -9.606 -0.271 1.00 41.13 H new ATOM 0 HG12 ILE A 10 -13.132 -7.362 -1.011 1.00 53.32 H new ATOM 0 HG13 ILE A 10 -13.115 -7.000 0.704 1.00 53.32 H new ATOM 0 HG21 ILE A 10 -14.225 -9.243 -1.325 1.00 73.50 H new ATOM 0 HG22 ILE A 10 -14.210 -10.598 -0.171 1.00 73.50 H new ATOM 0 HG23 ILE A 10 -14.920 -9.036 0.300 1.00 73.50 H new ATOM 0 HD11 ILE A 10 -11.196 -6.042 -0.412 1.00 42.31 H new ATOM 0 HD12 ILE A 10 -10.688 -7.285 0.755 1.00 42.31 H new ATOM 0 HD13 ILE A 10 -10.704 -7.653 -0.986 1.00 42.31 H new ATOM 125 N ASN A 11 -10.370 -10.362 2.241 1.00 21.15 N ATOM 126 CA ASN A 11 -9.005 -10.251 2.724 1.00 42.14 C ATOM 127 C ASN A 11 -8.135 -9.934 1.563 1.00 31.12 C ATOM 128 O ASN A 11 -8.145 -10.650 0.567 1.00 11.23 O ATOM 129 CB ASN A 11 -8.510 -11.521 3.404 1.00 64.43 C ATOM 130 CG ASN A 11 -7.205 -11.283 4.164 1.00 12.21 C ATOM 131 OD1 ASN A 11 -6.961 -10.196 4.671 1.00 54.02 O ATOM 132 ND2 ASN A 11 -6.367 -12.268 4.240 1.00 25.11 N ATOM 0 H ASN A 11 -10.652 -11.287 1.916 1.00 21.15 H new ATOM 0 HA ASN A 11 -8.972 -9.465 3.478 1.00 42.14 H new ATOM 0 HB2 ASN A 11 -9.272 -11.885 4.094 1.00 64.43 H new ATOM 0 HB3 ASN A 11 -8.359 -12.299 2.656 1.00 64.43 H new ATOM 0 HD21 ASN A 11 -5.481 -12.147 4.731 1.00 25.11 H new ATOM 0 HD22 ASN A 11 -6.593 -13.164 3.809 1.00 25.11 H new ATOM 139 N LEU A 12 -7.402 -8.897 1.660 1.00 0.51 N ATOM 140 CA LEU A 12 -6.636 -8.454 0.555 1.00 53.00 C ATOM 141 C LEU A 12 -5.187 -8.291 0.902 1.00 2.41 C ATOM 142 O LEU A 12 -4.839 -7.719 1.940 1.00 70.31 O ATOM 143 CB LEU A 12 -7.234 -7.149 0.029 1.00 62.15 C ATOM 144 CG LEU A 12 -6.457 -6.405 -1.047 1.00 12.45 C ATOM 145 CD1 LEU A 12 -6.234 -7.243 -2.279 1.00 21.14 C ATOM 146 CD2 LEU A 12 -7.142 -5.107 -1.379 1.00 64.32 C ATOM 0 H LEU A 12 -7.312 -8.329 2.502 1.00 0.51 H new ATOM 0 HA LEU A 12 -6.676 -9.213 -0.226 1.00 53.00 H new ATOM 0 HB2 LEU A 12 -8.227 -7.368 -0.364 1.00 62.15 H new ATOM 0 HB3 LEU A 12 -7.367 -6.475 0.875 1.00 62.15 H new ATOM 0 HG LEU A 12 -5.468 -6.184 -0.646 1.00 12.45 H new ATOM 0 HD11 LEU A 12 -5.675 -6.666 -3.016 1.00 21.14 H new ATOM 0 HD12 LEU A 12 -5.669 -8.137 -2.014 1.00 21.14 H new ATOM 0 HD13 LEU A 12 -7.196 -7.534 -2.700 1.00 21.14 H new ATOM 0 HD21 LEU A 12 -6.576 -4.584 -2.150 1.00 64.32 H new ATOM 0 HD22 LEU A 12 -8.149 -5.310 -1.743 1.00 64.32 H new ATOM 0 HD23 LEU A 12 -7.197 -4.486 -0.485 1.00 64.32 H new ATOM 158 N ARG A 13 -4.344 -8.802 0.044 1.00 10.44 N ATOM 159 CA ARG A 13 -2.960 -8.606 0.184 1.00 15.34 C ATOM 160 C ARG A 13 -2.508 -7.619 -0.851 1.00 71.01 C ATOM 161 O ARG A 13 -2.653 -7.834 -2.057 1.00 22.33 O ATOM 162 CB ARG A 13 -2.188 -9.920 0.078 1.00 72.32 C ATOM 163 CG ARG A 13 -0.691 -9.734 0.194 1.00 60.11 C ATOM 164 CD ARG A 13 0.027 -11.037 0.417 1.00 42.30 C ATOM 165 NE ARG A 13 -0.226 -12.041 -0.620 1.00 72.55 N ATOM 166 CZ ARG A 13 0.675 -12.943 -1.049 1.00 2.21 C ATOM 167 NH1 ARG A 13 1.929 -12.914 -0.595 1.00 25.11 N ATOM 168 NH2 ARG A 13 0.315 -13.871 -1.922 1.00 41.22 N ATOM 0 H ARG A 13 -4.616 -9.362 -0.764 1.00 10.44 H new ATOM 0 HA ARG A 13 -2.753 -8.211 1.178 1.00 15.34 H new ATOM 0 HB2 ARG A 13 -2.527 -10.599 0.861 1.00 72.32 H new ATOM 0 HB3 ARG A 13 -2.417 -10.394 -0.876 1.00 72.32 H new ATOM 0 HG2 ARG A 13 -0.313 -9.264 -0.714 1.00 60.11 H new ATOM 0 HG3 ARG A 13 -0.474 -9.055 1.019 1.00 60.11 H new ATOM 0 HD2 ARG A 13 1.099 -10.845 0.469 1.00 42.30 H new ATOM 0 HD3 ARG A 13 -0.271 -11.444 1.383 1.00 42.30 H new ATOM 0 HE ARG A 13 -1.152 -12.057 -1.047 1.00 72.55 H new ATOM 0 HH11 ARG A 13 2.210 -12.205 0.082 1.00 25.11 H new ATOM 0 HH12 ARG A 13 2.607 -13.601 -0.925 1.00 25.11 H new ATOM 0 HH21 ARG A 13 -0.644 -13.901 -2.268 1.00 41.22 H new ATOM 0 HH22 ARG A 13 0.997 -14.556 -2.249 1.00 41.22 H new ATOM 182 N LEU A 14 -1.964 -6.567 -0.364 1.00 63.00 N ATOM 183 CA LEU A 14 -1.477 -5.459 -1.167 1.00 2.11 C ATOM 184 C LEU A 14 0.017 -5.580 -1.328 1.00 1.24 C ATOM 185 O LEU A 14 0.755 -5.655 -0.327 1.00 10.14 O ATOM 186 CB LEU A 14 -1.813 -4.080 -0.495 1.00 13.21 C ATOM 187 CG LEU A 14 -3.295 -3.677 -0.331 1.00 32.21 C ATOM 188 CD1 LEU A 14 -3.996 -3.548 -1.660 1.00 20.31 C ATOM 189 CD2 LEU A 14 -4.055 -4.607 0.584 1.00 51.04 C ATOM 0 H LEU A 14 -1.831 -6.428 0.638 1.00 63.00 H new ATOM 0 HA LEU A 14 -1.968 -5.498 -2.139 1.00 2.11 H new ATOM 0 HB2 LEU A 14 -1.358 -4.075 0.495 1.00 13.21 H new ATOM 0 HB3 LEU A 14 -1.321 -3.300 -1.076 1.00 13.21 H new ATOM 0 HG LEU A 14 -3.284 -2.695 0.142 1.00 32.21 H new ATOM 0 HD11 LEU A 14 -5.035 -3.263 -1.497 1.00 20.31 H new ATOM 0 HD12 LEU A 14 -3.501 -2.785 -2.260 1.00 20.31 H new ATOM 0 HD13 LEU A 14 -3.959 -4.503 -2.185 1.00 20.31 H new ATOM 0 HD21 LEU A 14 -5.090 -4.275 0.662 1.00 51.04 H new ATOM 0 HD22 LEU A 14 -4.028 -5.619 0.179 1.00 51.04 H new ATOM 0 HD23 LEU A 14 -3.596 -4.600 1.573 1.00 51.04 H new ATOM 201 N ILE A 15 0.478 -5.641 -2.555 1.00 22.44 N ATOM 202 CA ILE A 15 1.891 -5.689 -2.790 1.00 55.11 C ATOM 203 C ILE A 15 2.315 -4.329 -3.288 1.00 32.34 C ATOM 204 O ILE A 15 1.778 -3.843 -4.287 1.00 4.10 O ATOM 205 CB ILE A 15 2.296 -6.705 -3.879 1.00 44.53 C ATOM 206 CG1 ILE A 15 1.569 -8.049 -3.737 1.00 64.00 C ATOM 207 CG2 ILE A 15 3.795 -6.912 -3.794 1.00 54.53 C ATOM 208 CD1 ILE A 15 1.876 -8.800 -2.504 1.00 11.34 C ATOM 0 H ILE A 15 -0.102 -5.658 -3.394 1.00 22.44 H new ATOM 0 HA ILE A 15 2.366 -5.986 -1.855 1.00 55.11 H new ATOM 0 HB ILE A 15 2.008 -6.302 -4.850 1.00 44.53 H new ATOM 0 HG12 ILE A 15 0.495 -7.869 -3.776 1.00 64.00 H new ATOM 0 HG13 ILE A 15 1.819 -8.672 -4.595 1.00 64.00 H new ATOM 0 HG21 ILE A 15 4.107 -7.627 -4.555 1.00 54.53 H new ATOM 0 HG22 ILE A 15 4.303 -5.962 -3.959 1.00 54.53 H new ATOM 0 HG23 ILE A 15 4.054 -7.296 -2.807 1.00 54.53 H new ATOM 0 HD11 ILE A 15 1.314 -9.734 -2.497 1.00 11.34 H new ATOM 0 HD12 ILE A 15 2.943 -9.019 -2.467 1.00 11.34 H new ATOM 0 HD13 ILE A 15 1.598 -8.203 -1.636 1.00 11.34 H new ATOM 220 N LEU A 16 3.241 -3.716 -2.618 1.00 22.21 N ATOM 221 CA LEU A 16 3.702 -2.399 -3.039 1.00 4.41 C ATOM 222 C LEU A 16 4.932 -2.512 -3.939 1.00 21.10 C ATOM 223 O LEU A 16 5.663 -3.503 -3.879 1.00 45.14 O ATOM 224 CB LEU A 16 3.988 -1.453 -1.847 1.00 41.04 C ATOM 225 CG LEU A 16 2.796 -1.064 -0.923 1.00 4.12 C ATOM 226 CD1 LEU A 16 1.653 -0.454 -1.715 1.00 14.11 C ATOM 227 CD2 LEU A 16 2.316 -2.230 -0.057 1.00 54.11 C ATOM 0 H LEU A 16 3.697 -4.088 -1.785 1.00 22.21 H new ATOM 0 HA LEU A 16 2.886 -1.955 -3.609 1.00 4.41 H new ATOM 0 HB2 LEU A 16 4.754 -1.919 -1.227 1.00 41.04 H new ATOM 0 HB3 LEU A 16 4.416 -0.533 -2.245 1.00 41.04 H new ATOM 0 HG LEU A 16 3.172 -0.303 -0.239 1.00 4.12 H new ATOM 0 HD11 LEU A 16 0.839 -0.195 -1.038 1.00 14.11 H new ATOM 0 HD12 LEU A 16 2.002 0.445 -2.224 1.00 14.11 H new ATOM 0 HD13 LEU A 16 1.297 -1.173 -2.452 1.00 14.11 H new ATOM 0 HD21 LEU A 16 1.484 -1.902 0.567 1.00 54.11 H new ATOM 0 HD22 LEU A 16 1.988 -3.048 -0.698 1.00 54.11 H new ATOM 0 HD23 LEU A 16 3.133 -2.572 0.578 1.00 54.11 H new ATOM 239 N VAL A 17 5.173 -1.465 -4.734 1.00 71.14 N ATOM 240 CA VAL A 17 6.262 -1.407 -5.740 1.00 73.13 C ATOM 241 C VAL A 17 7.659 -1.734 -5.202 1.00 61.23 C ATOM 242 O VAL A 17 8.501 -2.252 -5.937 1.00 11.02 O ATOM 243 CB VAL A 17 6.310 -0.036 -6.464 1.00 20.43 C ATOM 244 CG1 VAL A 17 5.042 0.193 -7.235 1.00 45.34 C ATOM 245 CG2 VAL A 17 6.542 1.112 -5.478 1.00 13.41 C ATOM 0 H VAL A 17 4.612 -0.614 -4.703 1.00 71.14 H new ATOM 0 HA VAL A 17 6.001 -2.197 -6.444 1.00 73.13 H new ATOM 0 HB VAL A 17 7.151 -0.057 -7.158 1.00 20.43 H new ATOM 0 HG11 VAL A 17 5.091 1.159 -7.737 1.00 45.34 H new ATOM 0 HG12 VAL A 17 4.920 -0.596 -7.977 1.00 45.34 H new ATOM 0 HG13 VAL A 17 4.193 0.182 -6.551 1.00 45.34 H new ATOM 0 HG21 VAL A 17 6.570 2.057 -6.020 1.00 13.41 H new ATOM 0 HG22 VAL A 17 5.732 1.135 -4.750 1.00 13.41 H new ATOM 0 HG23 VAL A 17 7.490 0.962 -4.961 1.00 13.41 H new ATOM 255 N SER A 18 7.906 -1.438 -3.948 1.00 63.01 N ATOM 256 CA SER A 18 9.206 -1.681 -3.353 1.00 2.15 C ATOM 257 C SER A 18 9.312 -3.116 -2.804 1.00 2.12 C ATOM 258 O SER A 18 10.313 -3.488 -2.191 1.00 2.23 O ATOM 259 CB SER A 18 9.449 -0.661 -2.247 1.00 61.14 C ATOM 260 OG SER A 18 9.306 0.661 -2.745 1.00 11.53 O ATOM 0 H SER A 18 7.222 -1.026 -3.314 1.00 63.01 H new ATOM 0 HA SER A 18 9.971 -1.572 -4.122 1.00 2.15 H new ATOM 0 HB2 SER A 18 8.745 -0.826 -1.432 1.00 61.14 H new ATOM 0 HB3 SER A 18 10.450 -0.794 -1.836 1.00 61.14 H new ATOM 0 HG SER A 18 9.464 1.302 -2.021 1.00 11.53 H new ATOM 266 N GLY A 19 8.281 -3.913 -3.040 1.00 1.33 N ATOM 267 CA GLY A 19 8.259 -5.273 -2.553 1.00 61.24 C ATOM 268 C GLY A 19 7.791 -5.332 -1.126 1.00 53.22 C ATOM 269 O GLY A 19 8.105 -6.261 -0.389 1.00 13.44 O ATOM 0 H GLY A 19 7.452 -3.637 -3.566 1.00 1.33 H new ATOM 0 HA2 GLY A 19 7.601 -5.876 -3.179 1.00 61.24 H new ATOM 0 HA3 GLY A 19 9.257 -5.706 -2.629 1.00 61.24 H new ATOM 273 N LYS A 20 7.030 -4.333 -0.737 1.00 64.40 N ATOM 274 CA LYS A 20 6.487 -4.283 0.595 1.00 22.24 C ATOM 275 C LYS A 20 5.207 -5.053 0.512 1.00 21.42 C ATOM 276 O LYS A 20 4.410 -4.816 -0.395 1.00 62.01 O ATOM 277 CB LYS A 20 6.149 -2.834 0.984 1.00 3.11 C ATOM 278 CG LYS A 20 7.257 -1.806 0.776 1.00 64.45 C ATOM 279 CD LYS A 20 8.461 -2.042 1.663 1.00 11.22 C ATOM 280 CE LYS A 20 9.499 -0.948 1.455 1.00 15.24 C ATOM 281 NZ LYS A 20 10.627 -1.056 2.398 1.00 63.24 N ATOM 0 H LYS A 20 6.775 -3.543 -1.330 1.00 64.40 H new ATOM 0 HA LYS A 20 7.190 -4.679 1.328 1.00 22.24 H new ATOM 0 HB2 LYS A 20 5.277 -2.519 0.410 1.00 3.11 H new ATOM 0 HB3 LYS A 20 5.861 -2.820 2.035 1.00 3.11 H new ATOM 0 HG2 LYS A 20 7.572 -1.827 -0.267 1.00 64.45 H new ATOM 0 HG3 LYS A 20 6.861 -0.809 0.970 1.00 64.45 H new ATOM 0 HD2 LYS A 20 8.152 -2.064 2.708 1.00 11.22 H new ATOM 0 HD3 LYS A 20 8.899 -3.015 1.440 1.00 11.22 H new ATOM 0 HE2 LYS A 20 9.877 -0.999 0.434 1.00 15.24 H new ATOM 0 HE3 LYS A 20 9.024 0.026 1.571 1.00 15.24 H new ATOM 0 HZ1 LYS A 20 11.306 -0.290 2.216 1.00 63.24 H new ATOM 0 HZ2 LYS A 20 10.273 -0.981 3.373 1.00 63.24 H new ATOM 0 HZ3 LYS A 20 11.099 -1.974 2.271 1.00 63.24 H new ATOM 295 N THR A 21 4.991 -5.953 1.393 1.00 23.32 N ATOM 296 CA THR A 21 3.826 -6.763 1.300 1.00 72.24 C ATOM 297 C THR A 21 3.029 -6.735 2.572 1.00 31.30 C ATOM 298 O THR A 21 3.572 -6.972 3.662 1.00 5.25 O ATOM 299 CB THR A 21 4.212 -8.206 0.975 1.00 1.21 C ATOM 300 OG1 THR A 21 5.190 -8.675 1.929 1.00 53.24 O ATOM 301 CG2 THR A 21 4.774 -8.329 -0.424 1.00 64.31 C ATOM 0 H THR A 21 5.600 -6.152 2.187 1.00 23.32 H new ATOM 0 HA THR A 21 3.208 -6.356 0.500 1.00 72.24 H new ATOM 0 HB THR A 21 3.310 -8.815 1.034 1.00 1.21 H new ATOM 0 HG1 THR A 21 4.948 -8.363 2.826 1.00 53.24 H new ATOM 0 HG21 THR A 21 5.037 -9.368 -0.620 1.00 64.31 H new ATOM 0 HG22 THR A 21 4.026 -8.002 -1.147 1.00 64.31 H new ATOM 0 HG23 THR A 21 5.664 -7.706 -0.515 1.00 64.31 H new ATOM 309 N LYS A 22 1.760 -6.462 2.453 1.00 75.53 N ATOM 310 CA LYS A 22 0.878 -6.469 3.624 1.00 4.13 C ATOM 311 C LYS A 22 -0.476 -7.028 3.277 1.00 0.03 C ATOM 312 O LYS A 22 -0.954 -6.857 2.159 1.00 25.12 O ATOM 313 CB LYS A 22 0.704 -5.081 4.283 1.00 22.53 C ATOM 314 CG LYS A 22 1.975 -4.438 4.828 1.00 53.43 C ATOM 315 CD LYS A 22 1.643 -3.228 5.689 1.00 2.43 C ATOM 316 CE LYS A 22 2.889 -2.515 6.195 1.00 73.50 C ATOM 317 NZ LYS A 22 3.648 -1.881 5.094 1.00 21.54 N ATOM 0 H LYS A 22 1.300 -6.232 1.572 1.00 75.53 H new ATOM 0 HA LYS A 22 1.374 -7.111 4.353 1.00 4.13 H new ATOM 0 HB2 LYS A 22 0.264 -4.405 3.550 1.00 22.53 H new ATOM 0 HB3 LYS A 22 -0.011 -5.175 5.100 1.00 22.53 H new ATOM 0 HG2 LYS A 22 2.533 -5.166 5.416 1.00 53.43 H new ATOM 0 HG3 LYS A 22 2.618 -4.136 4.001 1.00 53.43 H new ATOM 0 HD2 LYS A 22 1.038 -2.530 5.111 1.00 2.43 H new ATOM 0 HD3 LYS A 22 1.039 -3.545 6.539 1.00 2.43 H new ATOM 0 HE2 LYS A 22 2.602 -1.756 6.923 1.00 73.50 H new ATOM 0 HE3 LYS A 22 3.530 -3.228 6.714 1.00 73.50 H new ATOM 0 HZ1 LYS A 22 4.399 -1.281 5.491 1.00 21.54 H new ATOM 0 HZ2 LYS A 22 4.073 -2.618 4.496 1.00 21.54 H new ATOM 0 HZ3 LYS A 22 3.006 -1.297 4.521 1.00 21.54 H new ATOM 331 N GLU A 23 -1.091 -7.691 4.222 1.00 63.51 N ATOM 332 CA GLU A 23 -2.390 -8.259 4.011 1.00 42.25 C ATOM 333 C GLU A 23 -3.301 -7.747 5.111 1.00 51.10 C ATOM 334 O GLU A 23 -2.941 -7.812 6.292 1.00 11.12 O ATOM 335 CB GLU A 23 -2.279 -9.763 4.123 1.00 11.33 C ATOM 336 CG GLU A 23 -3.434 -10.521 3.613 1.00 32.22 C ATOM 337 CD GLU A 23 -3.324 -11.938 4.086 1.00 20.44 C ATOM 338 OE1 GLU A 23 -2.644 -12.742 3.432 1.00 31.04 O ATOM 339 OE2 GLU A 23 -3.885 -12.260 5.158 1.00 61.41 O ATOM 0 H GLU A 23 -0.705 -7.850 5.153 1.00 63.51 H new ATOM 0 HA GLU A 23 -2.783 -7.989 3.031 1.00 42.25 H new ATOM 0 HB2 GLU A 23 -1.388 -10.086 3.585 1.00 11.33 H new ATOM 0 HB3 GLU A 23 -2.130 -10.022 5.171 1.00 11.33 H new ATOM 0 HG2 GLU A 23 -4.364 -10.076 3.966 1.00 32.22 H new ATOM 0 HG3 GLU A 23 -3.458 -10.487 2.524 1.00 32.22 H new ATOM 346 N PHE A 24 -4.447 -7.246 4.743 1.00 62.41 N ATOM 347 CA PHE A 24 -5.411 -6.736 5.703 1.00 34.13 C ATOM 348 C PHE A 24 -6.810 -7.012 5.238 1.00 23.23 C ATOM 349 O PHE A 24 -7.046 -7.246 4.041 1.00 52.12 O ATOM 350 CB PHE A 24 -5.263 -5.227 5.967 1.00 43.23 C ATOM 351 CG PHE A 24 -3.988 -4.792 6.632 1.00 22.24 C ATOM 352 CD1 PHE A 24 -3.836 -4.892 8.005 1.00 63.20 C ATOM 353 CD2 PHE A 24 -2.952 -4.276 5.887 1.00 55.54 C ATOM 354 CE1 PHE A 24 -2.667 -4.488 8.617 1.00 25.35 C ATOM 355 CE2 PHE A 24 -1.784 -3.867 6.491 1.00 22.02 C ATOM 356 CZ PHE A 24 -1.640 -3.972 7.858 1.00 41.33 C ATOM 0 H PHE A 24 -4.748 -7.176 3.771 1.00 62.41 H new ATOM 0 HA PHE A 24 -5.208 -7.257 6.639 1.00 34.13 H new ATOM 0 HB2 PHE A 24 -5.349 -4.703 5.015 1.00 43.23 H new ATOM 0 HB3 PHE A 24 -6.100 -4.904 6.586 1.00 43.23 H new ATOM 0 HD1 PHE A 24 -4.642 -5.291 8.604 1.00 63.20 H new ATOM 0 HD2 PHE A 24 -3.056 -4.191 4.815 1.00 55.54 H new ATOM 0 HE1 PHE A 24 -2.558 -4.576 9.688 1.00 25.35 H new ATOM 0 HE2 PHE A 24 -0.980 -3.464 5.893 1.00 22.02 H new ATOM 0 HZ PHE A 24 -0.725 -3.651 8.332 1.00 41.33 H new ATOM 366 N LEU A 25 -7.731 -7.001 6.161 1.00 12.03 N ATOM 367 CA LEU A 25 -9.113 -7.152 5.834 1.00 41.54 C ATOM 368 C LEU A 25 -9.622 -5.825 5.345 1.00 3.44 C ATOM 369 O LEU A 25 -9.484 -4.813 6.033 1.00 31.11 O ATOM 370 CB LEU A 25 -9.920 -7.563 7.070 1.00 34.35 C ATOM 371 CG LEU A 25 -9.554 -8.891 7.724 1.00 71.30 C ATOM 372 CD1 LEU A 25 -10.407 -9.109 8.958 1.00 61.15 C ATOM 373 CD2 LEU A 25 -9.755 -10.027 6.748 1.00 21.30 C ATOM 0 H LEU A 25 -7.541 -6.887 7.157 1.00 12.03 H new ATOM 0 HA LEU A 25 -9.223 -7.924 5.073 1.00 41.54 H new ATOM 0 HB2 LEU A 25 -9.818 -6.777 7.818 1.00 34.35 H new ATOM 0 HB3 LEU A 25 -10.973 -7.602 6.790 1.00 34.35 H new ATOM 0 HG LEU A 25 -8.504 -8.863 8.016 1.00 71.30 H new ATOM 0 HD11 LEU A 25 -10.141 -10.059 9.421 1.00 61.15 H new ATOM 0 HD12 LEU A 25 -10.235 -8.299 9.667 1.00 61.15 H new ATOM 0 HD13 LEU A 25 -11.459 -9.125 8.675 1.00 61.15 H new ATOM 0 HD21 LEU A 25 -9.490 -10.970 7.227 1.00 21.30 H new ATOM 0 HD22 LEU A 25 -10.799 -10.059 6.437 1.00 21.30 H new ATOM 0 HD23 LEU A 25 -9.121 -9.873 5.875 1.00 21.30 H new ATOM 385 N PHE A 26 -10.193 -5.813 4.194 1.00 41.02 N ATOM 386 CA PHE A 26 -10.745 -4.611 3.649 1.00 43.32 C ATOM 387 C PHE A 26 -12.135 -4.864 3.192 1.00 54.32 C ATOM 388 O PHE A 26 -12.554 -6.021 3.043 1.00 43.24 O ATOM 389 CB PHE A 26 -9.888 -4.036 2.509 1.00 0.12 C ATOM 390 CG PHE A 26 -8.548 -3.517 2.953 1.00 43.32 C ATOM 391 CD1 PHE A 26 -8.445 -2.276 3.553 1.00 31.22 C ATOM 392 CD2 PHE A 26 -7.396 -4.260 2.777 1.00 24.43 C ATOM 393 CE1 PHE A 26 -7.226 -1.797 3.964 1.00 5.22 C ATOM 394 CE2 PHE A 26 -6.187 -3.784 3.180 1.00 55.14 C ATOM 395 CZ PHE A 26 -6.093 -2.558 3.775 1.00 72.33 C ATOM 0 H PHE A 26 -10.294 -6.634 3.597 1.00 41.02 H new ATOM 0 HA PHE A 26 -10.753 -3.859 4.438 1.00 43.32 H new ATOM 0 HB2 PHE A 26 -9.735 -4.810 1.757 1.00 0.12 H new ATOM 0 HB3 PHE A 26 -10.438 -3.228 2.027 1.00 0.12 H new ATOM 0 HD1 PHE A 26 -9.332 -1.678 3.700 1.00 31.22 H new ATOM 0 HD2 PHE A 26 -7.457 -5.233 2.313 1.00 24.43 H new ATOM 0 HE1 PHE A 26 -7.155 -0.827 4.434 1.00 5.22 H new ATOM 0 HE2 PHE A 26 -5.298 -4.378 3.029 1.00 55.14 H new ATOM 0 HZ PHE A 26 -5.132 -2.186 4.097 1.00 72.33 H new ATOM 405 N SER A 27 -12.862 -3.837 2.995 1.00 34.12 N ATOM 406 CA SER A 27 -14.178 -3.974 2.552 1.00 1.32 C ATOM 407 C SER A 27 -14.153 -3.985 1.038 1.00 14.23 C ATOM 408 O SER A 27 -13.371 -3.268 0.427 1.00 60.33 O ATOM 409 CB SER A 27 -15.019 -2.822 3.088 1.00 42.33 C ATOM 410 OG SER A 27 -14.954 -2.772 4.512 1.00 12.23 O ATOM 0 H SER A 27 -12.555 -2.875 3.139 1.00 34.12 H new ATOM 0 HA SER A 27 -14.624 -4.901 2.914 1.00 1.32 H new ATOM 0 HB2 SER A 27 -14.664 -1.880 2.669 1.00 42.33 H new ATOM 0 HB3 SER A 27 -16.055 -2.942 2.770 1.00 42.33 H new ATOM 0 HG SER A 27 -15.499 -2.025 4.838 1.00 12.23 H new ATOM 416 N PRO A 28 -14.977 -4.814 0.394 1.00 5.22 N ATOM 417 CA PRO A 28 -15.032 -4.880 -1.068 1.00 73.51 C ATOM 418 C PRO A 28 -15.482 -3.544 -1.695 1.00 51.24 C ATOM 419 O PRO A 28 -15.355 -3.334 -2.907 1.00 23.23 O ATOM 420 CB PRO A 28 -16.028 -6.012 -1.336 1.00 22.43 C ATOM 421 CG PRO A 28 -16.834 -6.102 -0.093 1.00 31.23 C ATOM 422 CD PRO A 28 -15.892 -5.776 1.018 1.00 62.41 C ATOM 0 HA PRO A 28 -14.056 -5.065 -1.518 1.00 73.51 H new ATOM 0 HB2 PRO A 28 -16.655 -5.792 -2.200 1.00 22.43 H new ATOM 0 HB3 PRO A 28 -15.515 -6.951 -1.545 1.00 22.43 H new ATOM 0 HG2 PRO A 28 -17.670 -5.403 -0.116 1.00 31.23 H new ATOM 0 HG3 PRO A 28 -17.256 -7.100 0.030 1.00 31.23 H new ATOM 0 HD2 PRO A 28 -16.410 -5.345 1.875 1.00 62.41 H new ATOM 0 HD3 PRO A 28 -15.366 -6.661 1.376 1.00 62.41 H new ATOM 430 N ASN A 29 -15.977 -2.656 -0.840 1.00 5.41 N ATOM 431 CA ASN A 29 -16.400 -1.310 -1.203 1.00 12.32 C ATOM 432 C ASN A 29 -15.175 -0.392 -1.341 1.00 12.42 C ATOM 433 O ASN A 29 -15.239 0.657 -1.990 1.00 32.14 O ATOM 434 CB ASN A 29 -17.336 -0.761 -0.101 1.00 43.25 C ATOM 435 CG ASN A 29 -17.868 0.637 -0.384 1.00 72.25 C ATOM 436 OD1 ASN A 29 -18.909 0.804 -1.020 1.00 50.25 O ATOM 437 ND2 ASN A 29 -17.182 1.646 0.105 1.00 53.34 N ATOM 0 H ASN A 29 -16.098 -2.859 0.152 1.00 5.41 H new ATOM 0 HA ASN A 29 -16.927 -1.341 -2.156 1.00 12.32 H new ATOM 0 HB2 ASN A 29 -18.178 -1.442 0.019 1.00 43.25 H new ATOM 0 HB3 ASN A 29 -16.798 -0.749 0.847 1.00 43.25 H new ATOM 0 HD21 ASN A 29 -17.509 2.602 -0.038 1.00 53.34 H new ATOM 0 HD22 ASN A 29 -16.323 1.473 0.628 1.00 53.34 H new ATOM 444 N ASP A 30 -14.072 -0.797 -0.737 1.00 10.03 N ATOM 445 CA ASP A 30 -12.844 -0.008 -0.744 1.00 32.24 C ATOM 446 C ASP A 30 -12.145 -0.088 -2.085 1.00 64.33 C ATOM 447 O ASP A 30 -12.332 -1.050 -2.844 1.00 54.33 O ATOM 448 CB ASP A 30 -11.878 -0.397 0.406 1.00 2.34 C ATOM 449 CG ASP A 30 -12.432 -0.101 1.790 1.00 51.34 C ATOM 450 OD1 ASP A 30 -12.781 1.066 2.052 1.00 3.43 O ATOM 451 OD2 ASP A 30 -12.537 -1.044 2.623 1.00 60.42 O ATOM 0 H ASP A 30 -13.998 -1.678 -0.228 1.00 10.03 H new ATOM 0 HA ASP A 30 -13.142 1.027 -0.573 1.00 32.24 H new ATOM 0 HB2 ASP A 30 -11.650 -1.461 0.334 1.00 2.34 H new ATOM 0 HB3 ASP A 30 -10.938 0.140 0.277 1.00 2.34 H new ATOM 456 N SER A 31 -11.379 0.922 -2.398 1.00 35.44 N ATOM 457 CA SER A 31 -10.668 0.977 -3.646 1.00 34.03 C ATOM 458 C SER A 31 -9.182 0.599 -3.489 1.00 11.14 C ATOM 459 O SER A 31 -8.495 1.098 -2.614 1.00 53.51 O ATOM 460 CB SER A 31 -10.877 2.333 -4.317 1.00 31.45 C ATOM 461 OG SER A 31 -10.666 3.405 -3.413 1.00 62.42 O ATOM 0 H SER A 31 -11.230 1.731 -1.794 1.00 35.44 H new ATOM 0 HA SER A 31 -11.085 0.220 -4.311 1.00 34.03 H new ATOM 0 HB2 SER A 31 -10.195 2.430 -5.162 1.00 31.45 H new ATOM 0 HB3 SER A 31 -11.889 2.389 -4.717 1.00 31.45 H new ATOM 0 HG SER A 31 -10.959 4.244 -3.826 1.00 62.42 H new ATOM 467 N ALA A 32 -8.726 -0.276 -4.367 1.00 42.40 N ATOM 468 CA ALA A 32 -7.375 -0.882 -4.360 1.00 53.41 C ATOM 469 C ALA A 32 -6.196 0.109 -4.192 1.00 52.10 C ATOM 470 O ALA A 32 -5.417 -0.010 -3.249 1.00 1.42 O ATOM 471 CB ALA A 32 -7.208 -1.621 -5.648 1.00 62.13 C ATOM 0 H ALA A 32 -9.298 -0.608 -5.143 1.00 42.40 H new ATOM 0 HA ALA A 32 -7.329 -1.525 -3.481 1.00 53.41 H new ATOM 0 HB1 ALA A 32 -6.221 -2.082 -5.678 1.00 62.13 H new ATOM 0 HB2 ALA A 32 -7.972 -2.395 -5.725 1.00 62.13 H new ATOM 0 HB3 ALA A 32 -7.309 -0.926 -6.482 1.00 62.13 H new ATOM 477 N SER A 33 -6.063 1.064 -5.100 1.00 54.41 N ATOM 478 CA SER A 33 -4.915 1.973 -5.089 1.00 20.30 C ATOM 479 C SER A 33 -5.016 2.985 -3.935 1.00 31.11 C ATOM 480 O SER A 33 -4.023 3.591 -3.519 1.00 41.22 O ATOM 481 CB SER A 33 -4.763 2.644 -6.460 1.00 3.44 C ATOM 482 OG SER A 33 -4.718 1.643 -7.461 1.00 55.55 O ATOM 0 H SER A 33 -6.730 1.233 -5.853 1.00 54.41 H new ATOM 0 HA SER A 33 -4.007 1.399 -4.906 1.00 20.30 H new ATOM 0 HB2 SER A 33 -5.597 3.321 -6.642 1.00 3.44 H new ATOM 0 HB3 SER A 33 -3.854 3.244 -6.487 1.00 3.44 H new ATOM 0 HG SER A 33 -5.457 1.776 -8.090 1.00 55.55 H new ATOM 488 N ASP A 34 -6.217 3.148 -3.437 1.00 45.33 N ATOM 489 CA ASP A 34 -6.485 3.941 -2.234 1.00 50.13 C ATOM 490 C ASP A 34 -5.920 3.177 -1.048 1.00 22.41 C ATOM 491 O ASP A 34 -5.185 3.714 -0.216 1.00 30.33 O ATOM 492 CB ASP A 34 -7.989 4.097 -2.090 1.00 44.13 C ATOM 493 CG ASP A 34 -8.427 4.917 -0.916 1.00 3.10 C ATOM 494 OD1 ASP A 34 -8.567 4.368 0.197 1.00 42.14 O ATOM 495 OD2 ASP A 34 -8.687 6.095 -1.105 1.00 62.31 O ATOM 0 H ASP A 34 -7.053 2.735 -3.850 1.00 45.33 H new ATOM 0 HA ASP A 34 -6.028 4.929 -2.291 1.00 50.13 H new ATOM 0 HB2 ASP A 34 -8.381 4.552 -2.999 1.00 44.13 H new ATOM 0 HB3 ASP A 34 -8.437 3.106 -2.010 1.00 44.13 H new ATOM 500 N ILE A 35 -6.247 1.896 -1.010 1.00 60.24 N ATOM 501 CA ILE A 35 -5.756 0.975 -0.007 1.00 22.30 C ATOM 502 C ILE A 35 -4.227 0.907 -0.032 1.00 64.11 C ATOM 503 O ILE A 35 -3.601 0.766 1.018 1.00 65.24 O ATOM 504 CB ILE A 35 -6.343 -0.430 -0.219 1.00 70.42 C ATOM 505 CG1 ILE A 35 -7.856 -0.415 -0.054 1.00 20.43 C ATOM 506 CG2 ILE A 35 -5.728 -1.410 0.730 1.00 73.14 C ATOM 507 CD1 ILE A 35 -8.495 -1.757 -0.289 1.00 32.52 C ATOM 0 H ILE A 35 -6.873 1.462 -1.689 1.00 60.24 H new ATOM 0 HA ILE A 35 -6.076 1.345 0.967 1.00 22.30 H new ATOM 0 HB ILE A 35 -6.110 -0.741 -1.237 1.00 70.42 H new ATOM 0 HG12 ILE A 35 -8.101 -0.075 0.952 1.00 20.43 H new ATOM 0 HG13 ILE A 35 -8.283 0.309 -0.748 1.00 20.43 H new ATOM 0 HG21 ILE A 35 -6.158 -2.398 0.563 1.00 73.14 H new ATOM 0 HG22 ILE A 35 -4.651 -1.450 0.565 1.00 73.14 H new ATOM 0 HG23 ILE A 35 -5.926 -1.097 1.755 1.00 73.14 H new ATOM 0 HD11 ILE A 35 -9.574 -1.675 -0.155 1.00 32.52 H new ATOM 0 HD12 ILE A 35 -8.280 -2.090 -1.304 1.00 32.52 H new ATOM 0 HD13 ILE A 35 -8.095 -2.480 0.422 1.00 32.52 H new ATOM 519 N ALA A 36 -3.633 1.013 -1.235 1.00 53.21 N ATOM 520 CA ALA A 36 -2.173 1.072 -1.406 1.00 13.01 C ATOM 521 C ALA A 36 -1.563 2.133 -0.484 1.00 72.55 C ATOM 522 O ALA A 36 -0.466 1.964 0.017 1.00 32.23 O ATOM 523 CB ALA A 36 -1.808 1.367 -2.861 1.00 53.30 C ATOM 0 H ALA A 36 -4.151 1.060 -2.112 1.00 53.21 H new ATOM 0 HA ALA A 36 -1.763 0.098 -1.137 1.00 13.01 H new ATOM 0 HB1 ALA A 36 -0.724 1.406 -2.963 1.00 53.30 H new ATOM 0 HB2 ALA A 36 -2.205 0.580 -3.502 1.00 53.30 H new ATOM 0 HB3 ALA A 36 -2.235 2.326 -3.156 1.00 53.30 H new ATOM 529 N LYS A 37 -2.301 3.212 -0.250 1.00 41.41 N ATOM 530 CA LYS A 37 -1.890 4.229 0.699 1.00 73.33 C ATOM 531 C LYS A 37 -1.953 3.680 2.127 1.00 2.23 C ATOM 532 O LYS A 37 -0.970 3.726 2.860 1.00 14.24 O ATOM 533 CB LYS A 37 -2.775 5.487 0.572 1.00 51.42 C ATOM 534 CG LYS A 37 -2.280 6.584 -0.364 1.00 45.34 C ATOM 535 CD LYS A 37 -2.020 6.115 -1.777 1.00 3.32 C ATOM 536 CE LYS A 37 -1.626 7.295 -2.651 1.00 3.04 C ATOM 537 NZ LYS A 37 -0.476 8.053 -2.082 1.00 2.51 N ATOM 0 H LYS A 37 -3.192 3.402 -0.710 1.00 41.41 H new ATOM 0 HA LYS A 37 -0.861 4.509 0.474 1.00 73.33 H new ATOM 0 HB2 LYS A 37 -3.764 5.174 0.236 1.00 51.42 H new ATOM 0 HB3 LYS A 37 -2.898 5.918 1.566 1.00 51.42 H new ATOM 0 HG2 LYS A 37 -3.017 7.387 -0.388 1.00 45.34 H new ATOM 0 HG3 LYS A 37 -1.361 7.007 0.042 1.00 45.34 H new ATOM 0 HD2 LYS A 37 -1.226 5.368 -1.781 1.00 3.32 H new ATOM 0 HD3 LYS A 37 -2.912 5.635 -2.180 1.00 3.32 H new ATOM 0 HE2 LYS A 37 -1.367 6.937 -3.647 1.00 3.04 H new ATOM 0 HE3 LYS A 37 -2.480 7.963 -2.764 1.00 3.04 H new ATOM 0 HZ1 LYS A 37 0.132 8.393 -2.854 1.00 2.51 H new ATOM 0 HZ2 LYS A 37 -0.831 8.865 -1.537 1.00 2.51 H new ATOM 0 HZ3 LYS A 37 0.075 7.431 -1.457 1.00 2.51 H new ATOM 551 N HIS A 38 -3.100 3.111 2.482 1.00 51.42 N ATOM 552 CA HIS A 38 -3.330 2.579 3.831 1.00 71.01 C ATOM 553 C HIS A 38 -2.289 1.512 4.212 1.00 0.11 C ATOM 554 O HIS A 38 -1.790 1.491 5.326 1.00 53.13 O ATOM 555 CB HIS A 38 -4.764 2.006 3.959 1.00 63.15 C ATOM 556 CG HIS A 38 -5.084 1.336 5.295 1.00 14.30 C ATOM 557 ND1 HIS A 38 -5.659 1.987 6.364 1.00 34.43 N ATOM 558 CD2 HIS A 38 -4.952 0.052 5.681 1.00 21.12 C ATOM 559 CE1 HIS A 38 -5.867 1.123 7.347 1.00 61.22 C ATOM 560 NE2 HIS A 38 -5.447 -0.059 6.955 1.00 21.44 N ATOM 0 H HIS A 38 -3.895 3.003 1.852 1.00 51.42 H new ATOM 0 HA HIS A 38 -3.221 3.410 4.528 1.00 71.01 H new ATOM 0 HB2 HIS A 38 -5.476 2.815 3.797 1.00 63.15 H new ATOM 0 HB3 HIS A 38 -4.920 1.280 3.161 1.00 63.15 H new ATOM 0 HD2 HIS A 38 -4.531 -0.749 5.091 1.00 21.12 H new ATOM 0 HE1 HIS A 38 -6.307 1.351 8.307 1.00 61.22 H new ATOM 0 HE2 HIS A 38 -5.483 -0.916 7.507 1.00 21.44 H new ATOM 569 N VAL A 39 -1.990 0.635 3.285 1.00 41.40 N ATOM 570 CA VAL A 39 -1.043 -0.436 3.522 1.00 25.54 C ATOM 571 C VAL A 39 0.404 0.048 3.481 1.00 54.43 C ATOM 572 O VAL A 39 1.278 -0.507 4.156 1.00 11.03 O ATOM 573 CB VAL A 39 -1.265 -1.616 2.577 1.00 63.42 C ATOM 574 CG1 VAL A 39 -2.650 -2.200 2.826 1.00 25.33 C ATOM 575 CG2 VAL A 39 -1.138 -1.171 1.146 1.00 14.12 C ATOM 0 H VAL A 39 -2.392 0.640 2.348 1.00 41.40 H new ATOM 0 HA VAL A 39 -1.230 -0.792 4.535 1.00 25.54 H new ATOM 0 HB VAL A 39 -0.509 -2.378 2.766 1.00 63.42 H new ATOM 0 HG11 VAL A 39 -2.816 -3.043 2.155 1.00 25.33 H new ATOM 0 HG12 VAL A 39 -2.721 -2.539 3.859 1.00 25.33 H new ATOM 0 HG13 VAL A 39 -3.405 -1.436 2.642 1.00 25.33 H new ATOM 0 HG21 VAL A 39 -1.299 -2.022 0.485 1.00 14.12 H new ATOM 0 HG22 VAL A 39 -1.883 -0.403 0.936 1.00 14.12 H new ATOM 0 HG23 VAL A 39 -0.141 -0.765 0.979 1.00 14.12 H new ATOM 585 N TYR A 40 0.671 1.058 2.669 1.00 55.24 N ATOM 586 CA TYR A 40 2.004 1.629 2.621 1.00 3.21 C ATOM 587 C TYR A 40 2.307 2.354 3.943 1.00 3.03 C ATOM 588 O TYR A 40 3.366 2.145 4.539 1.00 34.22 O ATOM 589 CB TYR A 40 2.181 2.558 1.414 1.00 14.15 C ATOM 590 CG TYR A 40 3.603 3.035 1.206 1.00 54.11 C ATOM 591 CD1 TYR A 40 4.573 2.166 0.727 1.00 1.31 C ATOM 592 CD2 TYR A 40 3.972 4.343 1.478 1.00 24.43 C ATOM 593 CE1 TYR A 40 5.868 2.585 0.527 1.00 24.54 C ATOM 594 CE2 TYR A 40 5.266 4.770 1.280 1.00 51.20 C ATOM 595 CZ TYR A 40 6.210 3.886 0.804 1.00 61.03 C ATOM 596 OH TYR A 40 7.511 4.304 0.610 1.00 51.33 O ATOM 0 H TYR A 40 -0.007 1.493 2.043 1.00 55.24 H new ATOM 0 HA TYR A 40 2.722 0.819 2.496 1.00 3.21 H new ATOM 0 HB2 TYR A 40 1.849 2.037 0.516 1.00 14.15 H new ATOM 0 HB3 TYR A 40 1.532 3.425 1.538 1.00 14.15 H new ATOM 0 HD1 TYR A 40 4.307 1.143 0.507 1.00 1.31 H new ATOM 0 HD2 TYR A 40 3.234 5.038 1.851 1.00 24.43 H new ATOM 0 HE1 TYR A 40 6.611 1.895 0.155 1.00 24.54 H new ATOM 0 HE2 TYR A 40 5.540 5.792 1.497 1.00 51.20 H new ATOM 0 HH TYR A 40 7.590 5.251 0.851 1.00 51.33 H new ATOM 870 N LEU A 58 -1.636 5.994 -10.226 1.00 61.22 N ATOM 871 CA LEU A 58 -2.322 5.211 -9.214 1.00 2.24 C ATOM 872 C LEU A 58 -3.119 4.179 -9.921 1.00 20.41 C ATOM 873 O LEU A 58 -4.204 4.462 -10.432 1.00 31.21 O ATOM 874 CB LEU A 58 -3.238 6.096 -8.350 1.00 2.53 C ATOM 875 CG LEU A 58 -2.543 7.190 -7.525 1.00 62.14 C ATOM 876 CD1 LEU A 58 -3.570 8.028 -6.782 1.00 5.24 C ATOM 877 CD2 LEU A 58 -1.557 6.577 -6.539 1.00 5.13 C ATOM 0 HA LEU A 58 -1.597 4.751 -8.542 1.00 2.24 H new ATOM 0 HB2 LEU A 58 -3.969 6.572 -9.003 1.00 2.53 H new ATOM 0 HB3 LEU A 58 -3.792 5.452 -7.667 1.00 2.53 H new ATOM 0 HG LEU A 58 -1.993 7.834 -8.211 1.00 62.14 H new ATOM 0 HD11 LEU A 58 -3.061 8.798 -6.203 1.00 5.24 H new ATOM 0 HD12 LEU A 58 -4.243 8.499 -7.499 1.00 5.24 H new ATOM 0 HD13 LEU A 58 -4.144 7.389 -6.111 1.00 5.24 H new ATOM 0 HD21 LEU A 58 -1.076 7.369 -5.965 1.00 5.13 H new ATOM 0 HD22 LEU A 58 -2.088 5.909 -5.861 1.00 5.13 H new ATOM 0 HD23 LEU A 58 -0.800 6.013 -7.084 1.00 5.13 H new ATOM 889 N ARG A 59 -2.553 3.014 -10.030 1.00 44.40 N ATOM 890 CA ARG A 59 -3.159 1.944 -10.747 1.00 42.45 C ATOM 891 C ARG A 59 -2.839 0.612 -10.127 1.00 40.12 C ATOM 892 O ARG A 59 -1.890 0.484 -9.337 1.00 20.42 O ATOM 893 CB ARG A 59 -2.821 2.028 -12.234 1.00 23.42 C ATOM 894 CG ARG A 59 -1.346 2.136 -12.522 1.00 34.10 C ATOM 895 CD ARG A 59 -1.077 2.460 -13.970 1.00 14.41 C ATOM 896 NE ARG A 59 0.362 2.603 -14.240 1.00 64.32 N ATOM 897 CZ ARG A 59 0.933 3.685 -14.792 1.00 35.23 C ATOM 898 NH1 ARG A 59 0.217 4.779 -15.035 1.00 44.45 N ATOM 899 NH2 ARG A 59 2.227 3.678 -15.067 1.00 51.33 N ATOM 0 H ARG A 59 -1.649 2.783 -9.618 1.00 44.40 H new ATOM 0 HA ARG A 59 -4.242 2.044 -10.674 1.00 42.45 H new ATOM 0 HB2 ARG A 59 -3.215 1.144 -12.736 1.00 23.42 H new ATOM 0 HB3 ARG A 59 -3.329 2.892 -12.663 1.00 23.42 H new ATOM 0 HG2 ARG A 59 -0.909 2.909 -11.890 1.00 34.10 H new ATOM 0 HG3 ARG A 59 -0.856 1.197 -12.263 1.00 34.10 H new ATOM 0 HD2 ARG A 59 -1.489 1.672 -14.601 1.00 14.41 H new ATOM 0 HD3 ARG A 59 -1.590 3.384 -14.237 1.00 14.41 H new ATOM 0 HE ARG A 59 0.970 1.823 -13.990 1.00 64.32 H new ATOM 0 HH11 ARG A 59 -0.776 4.801 -14.802 1.00 44.45 H new ATOM 0 HH12 ARG A 59 0.661 5.596 -15.455 1.00 44.45 H new ATOM 0 HH21 ARG A 59 2.788 2.852 -14.860 1.00 51.33 H new ATOM 0 HH22 ARG A 59 2.664 4.499 -15.487 1.00 51.33 H new ATOM 913 N LEU A 60 -3.607 -0.370 -10.482 1.00 74.40 N ATOM 914 CA LEU A 60 -3.541 -1.641 -9.842 1.00 53.44 C ATOM 915 C LEU A 60 -3.361 -2.759 -10.827 1.00 22.34 C ATOM 916 O LEU A 60 -3.799 -2.675 -11.974 1.00 75.03 O ATOM 917 CB LEU A 60 -4.822 -1.819 -9.014 1.00 50.45 C ATOM 918 CG LEU A 60 -6.158 -1.710 -9.780 1.00 24.50 C ATOM 919 CD1 LEU A 60 -6.533 -2.985 -10.523 1.00 33.12 C ATOM 920 CD2 LEU A 60 -7.252 -1.267 -8.884 1.00 23.25 C ATOM 0 H LEU A 60 -4.300 -0.310 -11.228 1.00 74.40 H new ATOM 0 HA LEU A 60 -2.667 -1.677 -9.191 1.00 53.44 H new ATOM 0 HB2 LEU A 60 -4.784 -2.796 -8.532 1.00 50.45 H new ATOM 0 HB3 LEU A 60 -4.822 -1.072 -8.220 1.00 50.45 H new ATOM 0 HG LEU A 60 -6.009 -0.949 -10.546 1.00 24.50 H new ATOM 0 HD11 LEU A 60 -7.482 -2.839 -11.039 1.00 33.12 H new ATOM 0 HD12 LEU A 60 -5.757 -3.224 -11.250 1.00 33.12 H new ATOM 0 HD13 LEU A 60 -6.629 -3.806 -9.812 1.00 33.12 H new ATOM 0 HD21 LEU A 60 -8.181 -1.199 -9.450 1.00 23.25 H new ATOM 0 HD22 LEU A 60 -7.373 -1.986 -8.074 1.00 23.25 H new ATOM 0 HD23 LEU A 60 -7.008 -0.289 -8.468 1.00 23.25 H new ATOM 932 N ILE A 61 -2.719 -3.787 -10.380 1.00 51.52 N ATOM 933 CA ILE A 61 -2.510 -4.970 -11.143 1.00 12.01 C ATOM 934 C ILE A 61 -3.169 -6.128 -10.427 1.00 50.50 C ATOM 935 O ILE A 61 -2.820 -6.455 -9.280 1.00 44.43 O ATOM 936 CB ILE A 61 -1.006 -5.247 -11.330 1.00 74.23 C ATOM 937 CG1 ILE A 61 -0.380 -4.098 -12.098 1.00 33.45 C ATOM 938 CG2 ILE A 61 -0.789 -6.560 -12.076 1.00 53.43 C ATOM 939 CD1 ILE A 61 1.125 -4.153 -12.196 1.00 53.03 C ATOM 0 H ILE A 61 -2.313 -3.827 -9.445 1.00 51.52 H new ATOM 0 HA ILE A 61 -2.949 -4.843 -12.133 1.00 12.01 H new ATOM 0 HB ILE A 61 -0.534 -5.333 -10.351 1.00 74.23 H new ATOM 0 HG12 ILE A 61 -0.796 -4.082 -13.105 1.00 33.45 H new ATOM 0 HG13 ILE A 61 -0.666 -3.161 -11.620 1.00 33.45 H new ATOM 0 HG21 ILE A 61 0.280 -6.737 -12.198 1.00 53.43 H new ATOM 0 HG22 ILE A 61 -1.230 -7.379 -11.507 1.00 53.43 H new ATOM 0 HG23 ILE A 61 -1.261 -6.504 -13.057 1.00 53.43 H new ATOM 0 HD11 ILE A 61 1.484 -3.293 -12.761 1.00 53.03 H new ATOM 0 HD12 ILE A 61 1.556 -4.135 -11.195 1.00 53.03 H new ATOM 0 HD13 ILE A 61 1.423 -5.071 -12.703 1.00 53.03 H new ATOM 951 N TYR A 62 -4.095 -6.750 -11.082 1.00 34.23 N ATOM 952 CA TYR A 62 -4.823 -7.841 -10.501 1.00 20.22 C ATOM 953 C TYR A 62 -4.254 -9.129 -11.050 1.00 2.11 C ATOM 954 O TYR A 62 -4.886 -9.829 -11.839 1.00 54.30 O ATOM 955 CB TYR A 62 -6.338 -7.683 -10.790 1.00 44.11 C ATOM 956 CG TYR A 62 -7.269 -8.735 -10.183 1.00 72.44 C ATOM 957 CD1 TYR A 62 -7.123 -9.160 -8.872 1.00 71.21 C ATOM 958 CD2 TYR A 62 -8.326 -9.263 -10.925 1.00 24.32 C ATOM 959 CE1 TYR A 62 -7.991 -10.081 -8.321 1.00 41.55 C ATOM 960 CE2 TYR A 62 -9.199 -10.186 -10.380 1.00 31.43 C ATOM 961 CZ TYR A 62 -9.025 -10.590 -9.077 1.00 1.24 C ATOM 962 OH TYR A 62 -9.887 -11.511 -8.525 1.00 12.14 O ATOM 0 H TYR A 62 -4.371 -6.519 -12.036 1.00 34.23 H new ATOM 0 HA TYR A 62 -4.717 -7.853 -9.416 1.00 20.22 H new ATOM 0 HB2 TYR A 62 -6.652 -6.703 -10.430 1.00 44.11 H new ATOM 0 HB3 TYR A 62 -6.480 -7.687 -11.871 1.00 44.11 H new ATOM 0 HD1 TYR A 62 -6.317 -8.764 -8.272 1.00 71.21 H new ATOM 0 HD2 TYR A 62 -8.465 -8.944 -11.947 1.00 24.32 H new ATOM 0 HE1 TYR A 62 -7.860 -10.403 -7.298 1.00 41.55 H new ATOM 0 HE2 TYR A 62 -10.009 -10.586 -10.971 1.00 31.43 H new ATOM 0 HH TYR A 62 -10.811 -11.255 -8.725 1.00 12.14 H new ATOM 972 N GLN A 63 -2.985 -9.363 -10.679 1.00 44.43 N ATOM 973 CA GLN A 63 -2.221 -10.526 -11.082 1.00 53.02 C ATOM 974 C GLN A 63 -2.179 -10.732 -12.590 1.00 71.01 C ATOM 975 O GLN A 63 -2.986 -11.459 -13.165 1.00 41.35 O ATOM 976 CB GLN A 63 -2.652 -11.764 -10.313 1.00 51.11 C ATOM 977 CG GLN A 63 -2.215 -11.751 -8.859 1.00 74.32 C ATOM 978 CD GLN A 63 -0.735 -12.025 -8.668 1.00 0.11 C ATOM 979 OE1 GLN A 63 -0.142 -11.559 -7.728 1.00 65.13 O ATOM 980 NE2 GLN A 63 -0.140 -12.793 -9.545 1.00 35.23 N ATOM 0 H GLN A 63 -2.462 -8.727 -10.077 1.00 44.43 H new ATOM 0 HA GLN A 63 -1.184 -10.331 -10.809 1.00 53.02 H new ATOM 0 HB2 GLN A 63 -3.738 -11.851 -10.358 1.00 51.11 H new ATOM 0 HB3 GLN A 63 -2.241 -12.648 -10.801 1.00 51.11 H new ATOM 0 HG2 GLN A 63 -2.456 -10.781 -8.425 1.00 74.32 H new ATOM 0 HG3 GLN A 63 -2.788 -12.497 -8.309 1.00 74.32 H new ATOM 0 HE21 GLN A 63 -0.667 -13.173 -10.331 1.00 35.23 H new ATOM 0 HE22 GLN A 63 0.851 -13.011 -9.443 1.00 35.23 H new ATOM 989 N GLY A 64 -1.262 -10.046 -13.229 1.00 2.41 N ATOM 990 CA GLY A 64 -1.129 -10.157 -14.652 1.00 54.13 C ATOM 991 C GLY A 64 -1.386 -8.849 -15.369 1.00 64.21 C ATOM 992 O GLY A 64 -0.512 -8.347 -16.080 1.00 21.44 O ATOM 0 H GLY A 64 -0.602 -9.409 -12.784 1.00 2.41 H new ATOM 0 HA2 GLY A 64 -0.125 -10.507 -14.892 1.00 54.13 H new ATOM 0 HA3 GLY A 64 -1.825 -10.911 -15.020 1.00 54.13 H new ATOM 996 N ARG A 65 -2.566 -8.281 -15.191 1.00 33.52 N ATOM 997 CA ARG A 65 -2.901 -7.054 -15.902 1.00 55.23 C ATOM 998 C ARG A 65 -3.464 -5.981 -14.986 1.00 62.11 C ATOM 999 O ARG A 65 -3.900 -6.267 -13.857 1.00 24.32 O ATOM 1000 CB ARG A 65 -3.887 -7.315 -17.053 1.00 61.23 C ATOM 1001 CG ARG A 65 -5.228 -7.873 -16.622 1.00 3.21 C ATOM 1002 CD ARG A 65 -6.185 -7.964 -17.797 1.00 43.12 C ATOM 1003 NE ARG A 65 -7.489 -8.507 -17.406 1.00 24.55 N ATOM 1004 CZ ARG A 65 -8.670 -8.155 -17.944 1.00 75.33 C ATOM 1005 NH1 ARG A 65 -8.737 -7.153 -18.829 1.00 3.43 N ATOM 1006 NH2 ARG A 65 -9.782 -8.776 -17.565 1.00 63.05 N ATOM 0 H ARG A 65 -3.296 -8.638 -14.575 1.00 33.52 H new ATOM 0 HA ARG A 65 -1.961 -6.687 -16.314 1.00 55.23 H new ATOM 0 HB2 ARG A 65 -4.053 -6.381 -17.590 1.00 61.23 H new ATOM 0 HB3 ARG A 65 -3.428 -8.010 -17.756 1.00 61.23 H new ATOM 0 HG2 ARG A 65 -5.090 -8.861 -16.184 1.00 3.21 H new ATOM 0 HG3 ARG A 65 -5.658 -7.238 -15.847 1.00 3.21 H new ATOM 0 HD2 ARG A 65 -6.321 -6.973 -18.231 1.00 43.12 H new ATOM 0 HD3 ARG A 65 -5.748 -8.594 -18.572 1.00 43.12 H new ATOM 0 HE ARG A 65 -7.502 -9.209 -16.666 1.00 24.55 H new ATOM 0 HH11 ARG A 65 -7.890 -6.653 -19.098 1.00 3.43 H new ATOM 0 HH12 ARG A 65 -9.635 -6.890 -19.234 1.00 3.43 H new ATOM 0 HH21 ARG A 65 -9.739 -9.518 -16.867 1.00 63.05 H new ATOM 0 HH22 ARG A 65 -10.679 -8.510 -17.972 1.00 63.05 H new ATOM 1020 N PHE A 66 -3.457 -4.752 -15.479 1.00 45.23 N ATOM 1021 CA PHE A 66 -4.052 -3.629 -14.781 1.00 34.35 C ATOM 1022 C PHE A 66 -5.538 -3.637 -15.107 1.00 25.23 C ATOM 1023 O PHE A 66 -5.909 -3.617 -16.283 1.00 73.25 O ATOM 1024 CB PHE A 66 -3.474 -2.277 -15.279 1.00 12.44 C ATOM 1025 CG PHE A 66 -1.974 -2.082 -15.187 1.00 52.01 C ATOM 1026 CD1 PHE A 66 -1.156 -2.453 -16.243 1.00 32.42 C ATOM 1027 CD2 PHE A 66 -1.385 -1.504 -14.068 1.00 32.44 C ATOM 1028 CE1 PHE A 66 0.209 -2.258 -16.190 1.00 71.11 C ATOM 1029 CE2 PHE A 66 -0.018 -1.311 -14.014 1.00 41.13 C ATOM 1030 CZ PHE A 66 0.775 -1.688 -15.075 1.00 73.12 C ATOM 0 H PHE A 66 -3.037 -4.508 -16.376 1.00 45.23 H new ATOM 0 HA PHE A 66 -3.848 -3.725 -13.714 1.00 34.35 H new ATOM 0 HB2 PHE A 66 -3.767 -2.149 -16.321 1.00 12.44 H new ATOM 0 HB3 PHE A 66 -3.953 -1.478 -14.713 1.00 12.44 H new ATOM 0 HD1 PHE A 66 -1.594 -2.902 -17.122 1.00 32.42 H new ATOM 0 HD2 PHE A 66 -2.001 -1.203 -13.234 1.00 32.44 H new ATOM 0 HE1 PHE A 66 0.831 -2.553 -17.022 1.00 71.11 H new ATOM 0 HE2 PHE A 66 0.429 -0.864 -13.139 1.00 41.13 H new ATOM 0 HZ PHE A 66 1.843 -1.535 -15.031 1.00 73.12 H new ATOM 1040 N LEU A 67 -6.390 -3.710 -14.110 1.00 72.22 N ATOM 1041 CA LEU A 67 -7.834 -3.668 -14.405 1.00 61.43 C ATOM 1042 C LEU A 67 -8.300 -2.264 -14.643 1.00 62.32 C ATOM 1043 O LEU A 67 -9.021 -1.986 -15.604 1.00 2.31 O ATOM 1044 CB LEU A 67 -8.709 -4.321 -13.340 1.00 54.23 C ATOM 1045 CG LEU A 67 -8.566 -5.816 -13.129 1.00 54.45 C ATOM 1046 CD1 LEU A 67 -9.607 -6.275 -12.136 1.00 21.50 C ATOM 1047 CD2 LEU A 67 -8.718 -6.574 -14.442 1.00 65.15 C ATOM 0 H LEU A 67 -6.141 -3.795 -13.125 1.00 72.22 H new ATOM 0 HA LEU A 67 -7.950 -4.258 -15.314 1.00 61.43 H new ATOM 0 HB2 LEU A 67 -8.505 -3.827 -12.390 1.00 54.23 H new ATOM 0 HB3 LEU A 67 -9.750 -4.116 -13.589 1.00 54.23 H new ATOM 0 HG LEU A 67 -7.569 -6.024 -12.741 1.00 54.45 H new ATOM 0 HD11 LEU A 67 -9.511 -7.349 -11.979 1.00 21.50 H new ATOM 0 HD12 LEU A 67 -9.461 -5.755 -11.189 1.00 21.50 H new ATOM 0 HD13 LEU A 67 -10.602 -6.052 -12.522 1.00 21.50 H new ATOM 0 HD21 LEU A 67 -8.611 -7.643 -14.259 1.00 65.15 H new ATOM 0 HD22 LEU A 67 -9.703 -6.375 -14.865 1.00 65.15 H new ATOM 0 HD23 LEU A 67 -7.949 -6.247 -15.142 1.00 65.15 H new ATOM 1059 N HIS A 68 -7.889 -1.379 -13.780 1.00 1.30 N ATOM 1060 CA HIS A 68 -8.271 -0.003 -13.854 1.00 72.41 C ATOM 1061 C HIS A 68 -7.321 0.730 -12.918 1.00 45.15 C ATOM 1062 O HIS A 68 -6.475 0.081 -12.292 1.00 61.20 O ATOM 1063 CB HIS A 68 -9.749 0.143 -13.391 1.00 44.11 C ATOM 1064 CG HIS A 68 -10.445 1.395 -13.849 1.00 33.24 C ATOM 1065 ND1 HIS A 68 -11.436 2.025 -13.135 1.00 3.12 N ATOM 1066 CD2 HIS A 68 -10.326 2.082 -14.997 1.00 53.15 C ATOM 1067 CE1 HIS A 68 -11.892 3.049 -13.832 1.00 24.32 C ATOM 1068 NE2 HIS A 68 -11.232 3.107 -14.965 1.00 24.35 N ATOM 0 H HIS A 68 -7.272 -1.598 -12.998 1.00 1.30 H new ATOM 0 HA HIS A 68 -8.210 0.402 -14.864 1.00 72.41 H new ATOM 0 HB2 HIS A 68 -10.312 -0.718 -13.751 1.00 44.11 H new ATOM 0 HB3 HIS A 68 -9.776 0.109 -12.302 1.00 44.11 H new ATOM 0 HD2 HIS A 68 -9.639 1.864 -15.801 1.00 53.15 H new ATOM 0 HE1 HIS A 68 -12.676 3.725 -13.522 1.00 24.32 H new ATOM 0 HE2 HIS A 68 -11.371 3.801 -15.700 1.00 24.35 H new ATOM 1077 N GLY A 69 -7.440 2.025 -12.814 1.00 74.55 N ATOM 1078 CA GLY A 69 -6.556 2.771 -11.953 1.00 71.11 C ATOM 1079 C GLY A 69 -6.840 2.539 -10.481 1.00 70.10 C ATOM 1080 O GLY A 69 -5.940 2.338 -9.700 1.00 23.02 O ATOM 0 H GLY A 69 -8.134 2.585 -13.309 1.00 74.55 H new ATOM 0 HA2 GLY A 69 -5.525 2.492 -12.168 1.00 71.11 H new ATOM 0 HA3 GLY A 69 -6.651 3.834 -12.174 1.00 71.11 H new ATOM 1084 N ASN A 70 -8.089 2.510 -10.123 1.00 23.33 N ATOM 1085 CA ASN A 70 -8.470 2.381 -8.754 1.00 1.20 C ATOM 1086 C ASN A 70 -9.896 1.888 -8.695 1.00 25.34 C ATOM 1087 O ASN A 70 -10.836 2.661 -8.535 1.00 61.52 O ATOM 1088 CB ASN A 70 -8.301 3.713 -7.994 1.00 62.22 C ATOM 1089 CG ASN A 70 -8.545 3.575 -6.511 1.00 34.44 C ATOM 1090 OD1 ASN A 70 -8.286 2.524 -5.930 1.00 63.03 O ATOM 1091 ND2 ASN A 70 -9.036 4.621 -5.886 1.00 0.12 N ATOM 0 H ASN A 70 -8.871 2.575 -10.775 1.00 23.33 H new ATOM 0 HA ASN A 70 -7.817 1.660 -8.262 1.00 1.20 H new ATOM 0 HB2 ASN A 70 -7.293 4.094 -8.158 1.00 62.22 H new ATOM 0 HB3 ASN A 70 -8.991 4.450 -8.404 1.00 62.22 H new ATOM 0 HD21 ASN A 70 -9.215 4.578 -4.883 1.00 0.12 H new ATOM 0 HD22 ASN A 70 -9.238 5.476 -6.404 1.00 0.12 H new ATOM 1098 N VAL A 71 -10.035 0.618 -8.961 1.00 63.32 N ATOM 1099 CA VAL A 71 -11.301 -0.069 -8.967 1.00 65.54 C ATOM 1100 C VAL A 71 -11.442 -0.873 -7.665 1.00 33.32 C ATOM 1101 O VAL A 71 -10.425 -1.242 -7.054 1.00 42.35 O ATOM 1102 CB VAL A 71 -11.479 -0.922 -10.291 1.00 70.40 C ATOM 1103 CG1 VAL A 71 -10.446 -2.017 -10.486 1.00 32.33 C ATOM 1104 CG2 VAL A 71 -12.878 -1.433 -10.476 1.00 5.24 C ATOM 0 H VAL A 71 -9.246 0.012 -9.187 1.00 63.32 H new ATOM 0 HA VAL A 71 -12.125 0.644 -8.987 1.00 65.54 H new ATOM 0 HB VAL A 71 -11.288 -0.205 -11.090 1.00 70.40 H new ATOM 0 HG11 VAL A 71 -10.648 -2.546 -11.417 1.00 32.33 H new ATOM 0 HG12 VAL A 71 -9.451 -1.575 -10.529 1.00 32.33 H new ATOM 0 HG13 VAL A 71 -10.496 -2.717 -9.652 1.00 32.33 H new ATOM 0 HG21 VAL A 71 -12.936 -2.009 -11.400 1.00 5.24 H new ATOM 0 HG22 VAL A 71 -13.147 -2.070 -9.633 1.00 5.24 H new ATOM 0 HG23 VAL A 71 -13.569 -0.591 -10.530 1.00 5.24 H new ATOM 1114 N THR A 72 -12.662 -1.092 -7.219 1.00 73.43 N ATOM 1115 CA THR A 72 -12.916 -1.721 -5.935 1.00 4.43 C ATOM 1116 C THR A 72 -12.720 -3.231 -5.977 1.00 61.02 C ATOM 1117 O THR A 72 -12.735 -3.842 -7.049 1.00 12.22 O ATOM 1118 CB THR A 72 -14.343 -1.403 -5.462 1.00 74.43 C ATOM 1119 OG1 THR A 72 -15.277 -1.757 -6.492 1.00 1.01 O ATOM 1120 CG2 THR A 72 -14.492 0.069 -5.129 1.00 2.35 C ATOM 0 H THR A 72 -13.506 -0.840 -7.734 1.00 73.43 H new ATOM 0 HA THR A 72 -12.189 -1.313 -5.233 1.00 4.43 H new ATOM 0 HB THR A 72 -14.544 -1.981 -4.560 1.00 74.43 H new ATOM 0 HG1 THR A 72 -16.188 -1.556 -6.191 1.00 1.01 H new ATOM 0 HG21 THR A 72 -15.511 0.266 -4.797 1.00 2.35 H new ATOM 0 HG22 THR A 72 -13.794 0.335 -4.335 1.00 2.35 H new ATOM 0 HG23 THR A 72 -14.277 0.666 -6.015 1.00 2.35 H new ATOM 1128 N LEU A 73 -12.538 -3.831 -4.804 1.00 72.32 N ATOM 1129 CA LEU A 73 -12.312 -5.252 -4.710 1.00 34.31 C ATOM 1130 C LEU A 73 -13.561 -6.032 -5.080 1.00 41.41 C ATOM 1131 O LEU A 73 -13.482 -7.101 -5.665 1.00 30.14 O ATOM 1132 CB LEU A 73 -11.820 -5.653 -3.323 1.00 30.21 C ATOM 1133 CG LEU A 73 -10.580 -4.928 -2.787 1.00 23.05 C ATOM 1134 CD1 LEU A 73 -9.503 -4.772 -3.839 1.00 41.41 C ATOM 1135 CD2 LEU A 73 -10.914 -3.623 -2.101 1.00 3.45 C ATOM 0 H LEU A 73 -12.544 -3.344 -3.908 1.00 72.32 H new ATOM 0 HA LEU A 73 -11.529 -5.501 -5.426 1.00 34.31 H new ATOM 0 HB2 LEU A 73 -12.635 -5.497 -2.616 1.00 30.21 H new ATOM 0 HB3 LEU A 73 -11.608 -6.722 -3.335 1.00 30.21 H new ATOM 0 HG LEU A 73 -10.164 -5.574 -2.014 1.00 23.05 H new ATOM 0 HD11 LEU A 73 -8.647 -4.253 -3.409 1.00 41.41 H new ATOM 0 HD12 LEU A 73 -9.192 -5.756 -4.190 1.00 41.41 H new ATOM 0 HD13 LEU A 73 -9.894 -4.195 -4.677 1.00 41.41 H new ATOM 0 HD21 LEU A 73 -9.997 -3.155 -1.742 1.00 3.45 H new ATOM 0 HD22 LEU A 73 -11.409 -2.957 -2.808 1.00 3.45 H new ATOM 0 HD23 LEU A 73 -11.577 -3.815 -1.258 1.00 3.45 H new ATOM 1147 N GLY A 74 -14.723 -5.491 -4.744 1.00 15.11 N ATOM 1148 CA GLY A 74 -15.972 -6.117 -5.146 1.00 41.32 C ATOM 1149 C GLY A 74 -16.110 -6.146 -6.660 1.00 14.52 C ATOM 1150 O GLY A 74 -16.711 -7.058 -7.228 1.00 24.22 O ATOM 0 H GLY A 74 -14.826 -4.633 -4.202 1.00 15.11 H new ATOM 0 HA2 GLY A 74 -16.015 -7.133 -4.755 1.00 41.32 H new ATOM 0 HA3 GLY A 74 -16.811 -5.573 -4.712 1.00 41.32 H new ATOM 1154 N ALA A 75 -15.512 -5.161 -7.307 1.00 34.41 N ATOM 1155 CA ALA A 75 -15.517 -5.049 -8.750 1.00 54.23 C ATOM 1156 C ALA A 75 -14.579 -6.084 -9.391 1.00 21.32 C ATOM 1157 O ALA A 75 -14.642 -6.330 -10.589 1.00 74.33 O ATOM 1158 CB ALA A 75 -15.149 -3.640 -9.171 1.00 64.32 C ATOM 0 H ALA A 75 -15.005 -4.410 -6.838 1.00 34.41 H new ATOM 0 HA ALA A 75 -16.526 -5.259 -9.106 1.00 54.23 H new ATOM 0 HB1 ALA A 75 -15.157 -3.571 -10.259 1.00 64.32 H new ATOM 0 HB2 ALA A 75 -15.872 -2.936 -8.758 1.00 64.32 H new ATOM 0 HB3 ALA A 75 -14.153 -3.398 -8.800 1.00 64.32 H new ATOM 1164 N LEU A 76 -13.703 -6.676 -8.582 1.00 44.33 N ATOM 1165 CA LEU A 76 -12.738 -7.683 -9.050 1.00 42.12 C ATOM 1166 C LEU A 76 -13.394 -9.065 -9.092 1.00 42.32 C ATOM 1167 O LEU A 76 -12.744 -10.063 -9.429 1.00 55.33 O ATOM 1168 CB LEU A 76 -11.573 -7.773 -8.083 1.00 54.23 C ATOM 1169 CG LEU A 76 -10.858 -6.489 -7.717 1.00 42.43 C ATOM 1170 CD1 LEU A 76 -9.797 -6.798 -6.715 1.00 2.43 C ATOM 1171 CD2 LEU A 76 -10.247 -5.833 -8.918 1.00 10.43 C ATOM 0 H LEU A 76 -13.638 -6.475 -7.584 1.00 44.33 H new ATOM 0 HA LEU A 76 -12.400 -7.386 -10.043 1.00 42.12 H new ATOM 0 HB2 LEU A 76 -11.937 -8.228 -7.162 1.00 54.23 H new ATOM 0 HB3 LEU A 76 -10.838 -8.457 -8.507 1.00 54.23 H new ATOM 0 HG LEU A 76 -11.586 -5.794 -7.299 1.00 42.43 H new ATOM 0 HD11 LEU A 76 -9.275 -5.881 -6.443 1.00 2.43 H new ATOM 0 HD12 LEU A 76 -10.252 -7.233 -5.825 1.00 2.43 H new ATOM 0 HD13 LEU A 76 -9.088 -7.506 -7.143 1.00 2.43 H new ATOM 0 HD21 LEU A 76 -9.743 -4.915 -8.615 1.00 10.43 H new ATOM 0 HD22 LEU A 76 -9.524 -6.510 -9.374 1.00 10.43 H new ATOM 0 HD23 LEU A 76 -11.028 -5.596 -9.640 1.00 10.43 H new ATOM 1183 N LYS A 77 -14.686 -9.102 -8.760 1.00 2.32 N ATOM 1184 CA LYS A 77 -15.474 -10.336 -8.668 1.00 13.45 C ATOM 1185 C LYS A 77 -14.929 -11.200 -7.527 1.00 62.13 C ATOM 1186 O LYS A 77 -14.164 -12.146 -7.752 1.00 25.02 O ATOM 1187 CB LYS A 77 -15.551 -11.164 -10.008 1.00 51.31 C ATOM 1188 CG LYS A 77 -16.134 -10.435 -11.244 1.00 44.01 C ATOM 1189 CD LYS A 77 -15.198 -9.345 -11.782 1.00 55.44 C ATOM 1190 CE LYS A 77 -15.800 -8.585 -12.960 1.00 21.11 C ATOM 1191 NZ LYS A 77 -16.100 -9.456 -14.116 1.00 14.35 N ATOM 0 H LYS A 77 -15.224 -8.263 -8.544 1.00 2.32 H new ATOM 0 HA LYS A 77 -16.501 -10.034 -8.464 1.00 13.45 H new ATOM 0 HB2 LYS A 77 -14.545 -11.504 -10.256 1.00 51.31 H new ATOM 0 HB3 LYS A 77 -16.152 -12.055 -9.824 1.00 51.31 H new ATOM 0 HG2 LYS A 77 -16.329 -11.163 -12.032 1.00 44.01 H new ATOM 0 HG3 LYS A 77 -17.092 -9.988 -10.979 1.00 44.01 H new ATOM 0 HD2 LYS A 77 -14.966 -8.643 -10.981 1.00 55.44 H new ATOM 0 HD3 LYS A 77 -14.256 -9.799 -12.090 1.00 55.44 H new ATOM 0 HE2 LYS A 77 -16.716 -8.091 -12.637 1.00 21.11 H new ATOM 0 HE3 LYS A 77 -15.109 -7.802 -13.272 1.00 21.11 H new ATOM 0 HZ1 LYS A 77 -16.394 -8.871 -14.924 1.00 14.35 H new ATOM 0 HZ2 LYS A 77 -15.250 -9.998 -14.372 1.00 14.35 H new ATOM 0 HZ3 LYS A 77 -16.867 -10.112 -13.866 1.00 14.35 H new ATOM 1205 N LEU A 78 -15.279 -10.838 -6.306 1.00 34.20 N ATOM 1206 CA LEU A 78 -14.752 -11.513 -5.129 1.00 74.11 C ATOM 1207 C LEU A 78 -15.854 -11.838 -4.144 1.00 63.11 C ATOM 1208 O LEU A 78 -16.714 -10.985 -3.864 1.00 0.32 O ATOM 1209 CB LEU A 78 -13.710 -10.627 -4.404 1.00 13.40 C ATOM 1210 CG LEU A 78 -12.471 -10.218 -5.190 1.00 32.32 C ATOM 1211 CD1 LEU A 78 -11.560 -9.371 -4.327 1.00 55.24 C ATOM 1212 CD2 LEU A 78 -11.731 -11.428 -5.693 1.00 64.12 C ATOM 0 H LEU A 78 -15.928 -10.078 -6.101 1.00 34.20 H new ATOM 0 HA LEU A 78 -14.284 -12.434 -5.477 1.00 74.11 H new ATOM 0 HB2 LEU A 78 -14.213 -9.719 -4.071 1.00 13.40 H new ATOM 0 HB3 LEU A 78 -13.382 -11.156 -3.509 1.00 13.40 H new ATOM 0 HG LEU A 78 -12.792 -9.631 -6.050 1.00 32.32 H new ATOM 0 HD11 LEU A 78 -10.678 -9.085 -4.900 1.00 55.24 H new ATOM 0 HD12 LEU A 78 -12.091 -8.475 -4.008 1.00 55.24 H new ATOM 0 HD13 LEU A 78 -11.254 -9.943 -3.451 1.00 55.24 H new ATOM 0 HD21 LEU A 78 -10.850 -11.110 -6.251 1.00 64.12 H new ATOM 0 HD22 LEU A 78 -11.422 -12.043 -4.848 1.00 64.12 H new ATOM 0 HD23 LEU A 78 -12.384 -12.009 -6.345 1.00 64.12 H new ATOM 1224 N PRO A 79 -15.880 -13.071 -3.623 1.00 65.12 N ATOM 1225 CA PRO A 79 -16.776 -13.437 -2.547 1.00 32.30 C ATOM 1226 C PRO A 79 -16.177 -12.979 -1.214 1.00 33.03 C ATOM 1227 O PRO A 79 -14.947 -12.814 -1.100 1.00 63.53 O ATOM 1228 CB PRO A 79 -16.831 -14.978 -2.601 1.00 11.11 C ATOM 1229 CG PRO A 79 -15.910 -15.394 -3.710 1.00 14.40 C ATOM 1230 CD PRO A 79 -15.054 -14.206 -4.049 1.00 32.53 C ATOM 0 HA PRO A 79 -17.763 -12.984 -2.640 1.00 32.30 H new ATOM 0 HB2 PRO A 79 -16.517 -15.412 -1.652 1.00 11.11 H new ATOM 0 HB3 PRO A 79 -17.847 -15.324 -2.789 1.00 11.11 H new ATOM 0 HG2 PRO A 79 -15.292 -16.237 -3.401 1.00 14.40 H new ATOM 0 HG3 PRO A 79 -16.479 -15.719 -4.581 1.00 14.40 H new ATOM 0 HD2 PRO A 79 -14.101 -14.232 -3.521 1.00 32.53 H new ATOM 0 HD3 PRO A 79 -14.827 -14.163 -5.114 1.00 32.53 H new ATOM 1238 N PHE A 80 -17.004 -12.779 -0.223 1.00 15.01 N ATOM 1239 CA PHE A 80 -16.515 -12.312 1.055 1.00 54.43 C ATOM 1240 C PHE A 80 -15.867 -13.469 1.779 1.00 73.33 C ATOM 1241 O PHE A 80 -16.210 -14.633 1.540 1.00 3.41 O ATOM 1242 CB PHE A 80 -17.643 -11.784 1.935 1.00 51.42 C ATOM 1243 CG PHE A 80 -18.569 -10.800 1.297 1.00 12.51 C ATOM 1244 CD1 PHE A 80 -18.116 -9.847 0.396 1.00 1.03 C ATOM 1245 CD2 PHE A 80 -19.912 -10.850 1.593 1.00 60.33 C ATOM 1246 CE1 PHE A 80 -18.997 -8.963 -0.192 1.00 73.45 C ATOM 1247 CE2 PHE A 80 -20.800 -9.971 1.009 1.00 3.53 C ATOM 1248 CZ PHE A 80 -20.342 -9.025 0.116 1.00 51.15 C ATOM 0 H PHE A 80 -18.012 -12.929 -0.270 1.00 15.01 H new ATOM 0 HA PHE A 80 -15.808 -11.504 0.867 1.00 54.43 H new ATOM 0 HB2 PHE A 80 -18.232 -12.632 2.284 1.00 51.42 H new ATOM 0 HB3 PHE A 80 -17.201 -11.318 2.816 1.00 51.42 H new ATOM 0 HD1 PHE A 80 -17.065 -9.797 0.153 1.00 1.03 H new ATOM 0 HD2 PHE A 80 -20.276 -11.588 2.293 1.00 60.33 H new ATOM 0 HE1 PHE A 80 -18.636 -8.224 -0.892 1.00 73.45 H new ATOM 0 HE2 PHE A 80 -21.851 -10.023 1.250 1.00 3.53 H new ATOM 0 HZ PHE A 80 -21.034 -8.334 -0.342 1.00 51.15 H new ATOM 1258 N GLY A 81 -14.944 -13.171 2.644 1.00 73.53 N ATOM 1259 CA GLY A 81 -14.296 -14.211 3.401 1.00 11.21 C ATOM 1260 C GLY A 81 -13.146 -14.859 2.657 1.00 11.44 C ATOM 1261 O GLY A 81 -12.513 -15.792 3.167 1.00 24.34 O ATOM 0 H GLY A 81 -14.621 -12.225 2.845 1.00 73.53 H new ATOM 0 HA2 GLY A 81 -13.926 -13.794 4.337 1.00 11.21 H new ATOM 0 HA3 GLY A 81 -15.030 -14.974 3.660 1.00 11.21 H new ATOM 1265 N LYS A 82 -12.866 -14.370 1.474 1.00 15.21 N ATOM 1266 CA LYS A 82 -11.818 -14.927 0.651 1.00 11.44 C ATOM 1267 C LYS A 82 -10.606 -14.015 0.658 1.00 54.44 C ATOM 1268 O LYS A 82 -10.736 -12.802 0.841 1.00 4.34 O ATOM 1269 CB LYS A 82 -12.320 -15.134 -0.781 1.00 34.03 C ATOM 1270 CG LYS A 82 -13.575 -15.998 -0.880 1.00 11.33 C ATOM 1271 CD LYS A 82 -13.370 -17.377 -0.278 1.00 31.33 C ATOM 1272 CE LYS A 82 -14.645 -18.196 -0.339 1.00 52.52 C ATOM 1273 NZ LYS A 82 -14.465 -19.541 0.245 1.00 52.23 N ATOM 0 H LYS A 82 -13.355 -13.579 1.055 1.00 15.21 H new ATOM 0 HA LYS A 82 -11.529 -15.895 1.061 1.00 11.44 H new ATOM 0 HB2 LYS A 82 -12.525 -14.161 -1.227 1.00 34.03 H new ATOM 0 HB3 LYS A 82 -11.527 -15.594 -1.370 1.00 34.03 H new ATOM 0 HG2 LYS A 82 -14.399 -15.499 -0.369 1.00 11.33 H new ATOM 0 HG3 LYS A 82 -13.863 -16.099 -1.926 1.00 11.33 H new ATOM 0 HD2 LYS A 82 -12.575 -17.896 -0.813 1.00 31.33 H new ATOM 0 HD3 LYS A 82 -13.046 -17.280 0.758 1.00 31.33 H new ATOM 0 HE2 LYS A 82 -15.439 -17.672 0.194 1.00 52.52 H new ATOM 0 HE3 LYS A 82 -14.966 -18.291 -1.376 1.00 52.52 H new ATOM 0 HZ1 LYS A 82 -15.359 -20.069 0.184 1.00 52.23 H new ATOM 0 HZ2 LYS A 82 -13.726 -20.051 -0.279 1.00 52.23 H new ATOM 0 HZ3 LYS A 82 -14.183 -19.452 1.242 1.00 52.23 H new ATOM 1287 N THR A 83 -9.444 -14.592 0.473 1.00 64.14 N ATOM 1288 CA THR A 83 -8.214 -13.844 0.449 1.00 53.13 C ATOM 1289 C THR A 83 -7.743 -13.651 -0.992 1.00 55.52 C ATOM 1290 O THR A 83 -7.638 -14.609 -1.763 1.00 64.44 O ATOM 1291 CB THR A 83 -7.121 -14.546 1.294 1.00 51.42 C ATOM 1292 OG1 THR A 83 -7.595 -14.702 2.646 1.00 21.25 O ATOM 1293 CG2 THR A 83 -5.826 -13.737 1.305 1.00 4.31 C ATOM 0 H THR A 83 -9.326 -15.596 0.335 1.00 64.14 H new ATOM 0 HA THR A 83 -8.398 -12.864 0.890 1.00 53.13 H new ATOM 0 HB THR A 83 -6.914 -15.519 0.849 1.00 51.42 H new ATOM 0 HG1 THR A 83 -6.908 -15.147 3.184 1.00 21.25 H new ATOM 0 HG21 THR A 83 -5.078 -14.255 1.906 1.00 4.31 H new ATOM 0 HG22 THR A 83 -5.458 -13.625 0.285 1.00 4.31 H new ATOM 0 HG23 THR A 83 -6.016 -12.752 1.732 1.00 4.31 H new ATOM 1301 N THR A 84 -7.489 -12.427 -1.348 1.00 14.23 N ATOM 1302 CA THR A 84 -7.056 -12.088 -2.682 1.00 60.24 C ATOM 1303 C THR A 84 -5.783 -11.221 -2.635 1.00 44.55 C ATOM 1304 O THR A 84 -5.628 -10.400 -1.745 1.00 13.35 O ATOM 1305 CB THR A 84 -8.201 -11.348 -3.426 1.00 21.45 C ATOM 1306 OG1 THR A 84 -9.360 -12.200 -3.461 1.00 30.11 O ATOM 1307 CG2 THR A 84 -7.807 -10.982 -4.849 1.00 42.11 C ATOM 0 H THR A 84 -7.575 -11.627 -0.721 1.00 14.23 H new ATOM 0 HA THR A 84 -6.816 -13.003 -3.224 1.00 60.24 H new ATOM 0 HB THR A 84 -8.414 -10.424 -2.889 1.00 21.45 H new ATOM 0 HG1 THR A 84 -10.105 -11.757 -3.004 1.00 30.11 H new ATOM 0 HG21 THR A 84 -8.635 -10.466 -5.335 1.00 42.11 H new ATOM 0 HG22 THR A 84 -6.935 -10.329 -4.828 1.00 42.11 H new ATOM 0 HG23 THR A 84 -7.568 -11.889 -5.405 1.00 42.11 H new ATOM 1315 N VAL A 85 -4.870 -11.445 -3.562 1.00 62.03 N ATOM 1316 CA VAL A 85 -3.645 -10.666 -3.643 1.00 13.01 C ATOM 1317 C VAL A 85 -3.657 -9.756 -4.876 1.00 72.12 C ATOM 1318 O VAL A 85 -4.095 -10.164 -5.961 1.00 41.34 O ATOM 1319 CB VAL A 85 -2.367 -11.577 -3.644 1.00 13.00 C ATOM 1320 CG1 VAL A 85 -2.384 -12.583 -4.789 1.00 34.43 C ATOM 1321 CG2 VAL A 85 -1.095 -10.744 -3.688 1.00 4.05 C ATOM 0 H VAL A 85 -4.954 -12.168 -4.277 1.00 62.03 H new ATOM 0 HA VAL A 85 -3.602 -10.043 -2.749 1.00 13.01 H new ATOM 0 HB VAL A 85 -2.380 -12.138 -2.710 1.00 13.00 H new ATOM 0 HG11 VAL A 85 -1.481 -13.192 -4.751 1.00 34.43 H new ATOM 0 HG12 VAL A 85 -3.260 -13.225 -4.696 1.00 34.43 H new ATOM 0 HG13 VAL A 85 -2.423 -12.051 -5.740 1.00 34.43 H new ATOM 0 HG21 VAL A 85 -0.228 -11.404 -3.688 1.00 4.05 H new ATOM 0 HG22 VAL A 85 -1.089 -10.137 -4.593 1.00 4.05 H new ATOM 0 HG23 VAL A 85 -1.056 -10.093 -2.815 1.00 4.05 H new ATOM 1331 N MET A 86 -3.213 -8.528 -4.697 1.00 44.41 N ATOM 1332 CA MET A 86 -3.126 -7.561 -5.768 1.00 43.52 C ATOM 1333 C MET A 86 -1.819 -6.841 -5.707 1.00 32.54 C ATOM 1334 O MET A 86 -1.220 -6.709 -4.645 1.00 2.41 O ATOM 1335 CB MET A 86 -4.239 -6.531 -5.703 1.00 64.42 C ATOM 1336 CG MET A 86 -5.621 -7.084 -5.874 1.00 1.42 C ATOM 1337 SD MET A 86 -6.862 -5.804 -5.786 1.00 71.44 S ATOM 1338 CE MET A 86 -6.478 -4.852 -7.247 1.00 32.41 C ATOM 0 H MET A 86 -2.900 -8.172 -3.794 1.00 44.41 H new ATOM 0 HA MET A 86 -3.218 -8.117 -6.701 1.00 43.52 H new ATOM 0 HB2 MET A 86 -4.185 -6.019 -4.742 1.00 64.42 H new ATOM 0 HB3 MET A 86 -4.066 -5.781 -6.474 1.00 64.42 H new ATOM 0 HG2 MET A 86 -5.692 -7.594 -6.835 1.00 1.42 H new ATOM 0 HG3 MET A 86 -5.812 -7.830 -5.102 1.00 1.42 H new ATOM 0 HE1 MET A 86 -7.403 -4.526 -7.722 1.00 32.41 H new ATOM 0 HE2 MET A 86 -5.886 -3.980 -6.968 1.00 32.41 H new ATOM 0 HE3 MET A 86 -5.910 -5.468 -7.944 1.00 32.41 H new ATOM 1348 N HIS A 87 -1.375 -6.386 -6.831 1.00 13.05 N ATOM 1349 CA HIS A 87 -0.152 -5.641 -6.924 1.00 21.35 C ATOM 1350 C HIS A 87 -0.485 -4.204 -7.235 1.00 54.11 C ATOM 1351 O HIS A 87 -1.284 -3.936 -8.121 1.00 54.10 O ATOM 1352 CB HIS A 87 0.765 -6.236 -7.985 1.00 73.12 C ATOM 1353 CG HIS A 87 1.345 -7.586 -7.621 1.00 32.34 C ATOM 1354 ND1 HIS A 87 2.687 -7.782 -7.427 1.00 51.12 N ATOM 1355 CD2 HIS A 87 0.767 -8.817 -7.431 1.00 70.22 C ATOM 1356 CE1 HIS A 87 2.921 -9.039 -7.139 1.00 61.35 C ATOM 1357 NE2 HIS A 87 1.783 -9.687 -7.134 1.00 14.24 N ATOM 0 H HIS A 87 -1.852 -6.519 -7.723 1.00 13.05 H new ATOM 0 HA HIS A 87 0.382 -5.690 -5.975 1.00 21.35 H new ATOM 0 HB2 HIS A 87 0.208 -6.332 -8.917 1.00 73.12 H new ATOM 0 HB3 HIS A 87 1.583 -5.541 -8.173 1.00 73.12 H new ATOM 0 HD2 HIS A 87 -0.284 -9.054 -7.502 1.00 70.22 H new ATOM 0 HE1 HIS A 87 3.891 -9.469 -6.939 1.00 61.35 H new ATOM 0 HE2 HIS A 87 1.671 -10.682 -6.940 1.00 14.24 H new ATOM 1366 N LEU A 88 0.085 -3.292 -6.500 1.00 74.11 N ATOM 1367 CA LEU A 88 -0.239 -1.887 -6.644 1.00 71.23 C ATOM 1368 C LEU A 88 0.975 -1.121 -7.067 1.00 32.24 C ATOM 1369 O LEU A 88 2.076 -1.352 -6.550 1.00 44.13 O ATOM 1370 CB LEU A 88 -0.798 -1.294 -5.325 1.00 51.51 C ATOM 1371 CG LEU A 88 -2.140 -1.854 -4.791 1.00 61.44 C ATOM 1372 CD1 LEU A 88 -3.247 -1.694 -5.808 1.00 63.24 C ATOM 1373 CD2 LEU A 88 -2.016 -3.299 -4.343 1.00 13.45 C ATOM 0 H LEU A 88 0.785 -3.492 -5.785 1.00 74.11 H new ATOM 0 HA LEU A 88 -1.011 -1.801 -7.408 1.00 71.23 H new ATOM 0 HB2 LEU A 88 -0.045 -1.434 -4.550 1.00 51.51 H new ATOM 0 HB3 LEU A 88 -0.916 -0.219 -5.465 1.00 51.51 H new ATOM 0 HG LEU A 88 -2.402 -1.265 -3.912 1.00 61.44 H new ATOM 0 HD11 LEU A 88 -4.175 -2.097 -5.402 1.00 63.24 H new ATOM 0 HD12 LEU A 88 -3.380 -0.637 -6.038 1.00 63.24 H new ATOM 0 HD13 LEU A 88 -2.985 -2.233 -6.719 1.00 63.24 H new ATOM 0 HD21 LEU A 88 -2.980 -3.650 -3.976 1.00 13.45 H new ATOM 0 HD22 LEU A 88 -1.702 -3.915 -5.185 1.00 13.45 H new ATOM 0 HD23 LEU A 88 -1.277 -3.370 -3.545 1.00 13.45 H new ATOM 1385 N VAL A 89 0.799 -0.213 -7.990 1.00 3.42 N ATOM 1386 CA VAL A 89 1.904 0.552 -8.482 1.00 74.31 C ATOM 1387 C VAL A 89 1.664 2.041 -8.272 1.00 3.44 C ATOM 1388 O VAL A 89 0.561 2.547 -8.494 1.00 52.02 O ATOM 1389 CB VAL A 89 2.241 0.246 -9.984 1.00 61.14 C ATOM 1390 CG1 VAL A 89 2.591 -1.222 -10.185 1.00 34.34 C ATOM 1391 CG2 VAL A 89 1.098 0.614 -10.886 1.00 60.12 C ATOM 0 H VAL A 89 -0.101 0.012 -8.414 1.00 3.42 H new ATOM 0 HA VAL A 89 2.776 0.249 -7.902 1.00 74.31 H new ATOM 0 HB VAL A 89 3.107 0.855 -10.245 1.00 61.14 H new ATOM 0 HG11 VAL A 89 2.819 -1.401 -11.236 1.00 34.34 H new ATOM 0 HG12 VAL A 89 3.459 -1.476 -9.577 1.00 34.34 H new ATOM 0 HG13 VAL A 89 1.745 -1.842 -9.887 1.00 34.34 H new ATOM 0 HG21 VAL A 89 1.363 0.390 -11.919 1.00 60.12 H new ATOM 0 HG22 VAL A 89 0.214 0.041 -10.606 1.00 60.12 H new ATOM 0 HG23 VAL A 89 0.886 1.679 -10.789 1.00 60.12 H new ATOM 1401 N ALA A 90 2.675 2.715 -7.772 1.00 21.31 N ATOM 1402 CA ALA A 90 2.625 4.139 -7.576 1.00 52.13 C ATOM 1403 C ALA A 90 3.916 4.775 -8.059 1.00 64.11 C ATOM 1404 O ALA A 90 4.999 4.410 -7.593 1.00 31.32 O ATOM 1405 CB ALA A 90 2.379 4.470 -6.107 1.00 14.14 C ATOM 0 H ALA A 90 3.556 2.286 -7.490 1.00 21.31 H new ATOM 0 HA ALA A 90 1.797 4.544 -8.157 1.00 52.13 H new ATOM 0 HB1 ALA A 90 2.344 5.552 -5.979 1.00 14.14 H new ATOM 0 HB2 ALA A 90 1.430 4.036 -5.790 1.00 14.14 H new ATOM 0 HB3 ALA A 90 3.186 4.058 -5.501 1.00 14.14 H new