USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=17 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 31 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 70 ASN : amide:sc= -0.252 K(o=-0.25,f=-1.4) USER MOD Set 2.1: A 18 SER OG : rot 110:sc= 1.06 USER MOD Set 2.2: A 20 LYS NZ :NH3+ 158:sc= 1.23 (180deg=0) USER MOD Single : A 9 MET CE :methyl -178:sc= -1.79 (180deg=-1.87) USER MOD Single : A 11 ASN :FLIP amide:sc= -0.378 F(o=-2!,f=-0.38) USER MOD Single : A 21 THR OG1 : rot -120:sc= 0.663 USER MOD Single : A 22 LYS NZ :NH3+ -176:sc= 0.191 (180deg=0.182) USER MOD Single : A 27 SER OG : rot -32:sc= 1.23 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 33 SER OG : rot -170:sc= 1.27 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= -0.0234 (180deg=-0.0234) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 114:sc= 0.391 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 68 HIS : no HD1:sc= -0.0125 X(o=-0.013,f=-0.28) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00153 USER MOD Single : A 77 LYS NZ :NH3+ -177:sc= 0.0111 (180deg=0.00964) USER MOD Single : A 82 LYS NZ :NH3+ -163:sc= -0.0208 (180deg=-0.28) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 110:sc= -0.212 USER MOD Single : A 86 MET CE :methyl 165:sc= -1.08 (180deg=-1.31) USER MOD Single : A 87 HIS : no HD1:sc= -0.0641 X(o=-0.064,f=-0.088) USER MOD ----------------------------------------------------------------- ATOM 37 N VAL A 5 -11.708 -14.074 8.324 1.00 21.33 N ATOM 38 CA VAL A 5 -12.395 -13.275 7.354 1.00 32.33 C ATOM 39 C VAL A 5 -13.879 -13.673 7.331 1.00 53.21 C ATOM 40 O VAL A 5 -14.211 -14.804 6.969 1.00 32.31 O ATOM 41 CB VAL A 5 -11.797 -13.522 5.944 1.00 4.10 C ATOM 42 CG1 VAL A 5 -12.391 -12.577 4.924 1.00 44.53 C ATOM 43 CG2 VAL A 5 -10.281 -13.420 5.951 1.00 3.14 C ATOM 0 HA VAL A 5 -12.287 -12.223 7.620 1.00 32.33 H new ATOM 0 HB VAL A 5 -12.060 -14.541 5.658 1.00 4.10 H new ATOM 0 HG11 VAL A 5 -11.952 -12.775 3.946 1.00 44.53 H new ATOM 0 HG12 VAL A 5 -13.470 -12.726 4.875 1.00 44.53 H new ATOM 0 HG13 VAL A 5 -12.180 -11.548 5.215 1.00 44.53 H new ATOM 0 HG21 VAL A 5 -9.900 -13.599 4.946 1.00 3.14 H new ATOM 0 HG22 VAL A 5 -9.985 -12.424 6.279 1.00 3.14 H new ATOM 0 HG23 VAL A 5 -9.869 -14.164 6.633 1.00 3.14 H new ATOM 53 N PRO A 6 -14.786 -12.771 7.727 1.00 11.44 N ATOM 54 CA PRO A 6 -16.225 -13.032 7.689 1.00 10.10 C ATOM 55 C PRO A 6 -16.764 -12.919 6.282 1.00 3.02 C ATOM 56 O PRO A 6 -16.128 -12.297 5.408 1.00 71.24 O ATOM 57 CB PRO A 6 -16.830 -11.895 8.524 1.00 50.10 C ATOM 58 CG PRO A 6 -15.679 -11.184 9.148 1.00 71.42 C ATOM 59 CD PRO A 6 -14.496 -11.447 8.274 1.00 44.02 C ATOM 0 HA PRO A 6 -16.459 -14.033 8.053 1.00 10.10 H new ATOM 0 HB2 PRO A 6 -17.413 -11.219 7.898 1.00 50.10 H new ATOM 0 HB3 PRO A 6 -17.505 -12.287 9.285 1.00 50.10 H new ATOM 0 HG2 PRO A 6 -15.877 -10.115 9.222 1.00 71.42 H new ATOM 0 HG3 PRO A 6 -15.502 -11.546 10.161 1.00 71.42 H new ATOM 0 HD2 PRO A 6 -14.399 -10.697 7.489 1.00 44.02 H new ATOM 0 HD3 PRO A 6 -13.565 -11.438 8.840 1.00 44.02 H new ATOM 67 N ALA A 7 -17.927 -13.487 6.046 1.00 0.41 N ATOM 68 CA ALA A 7 -18.565 -13.351 4.779 1.00 72.12 C ATOM 69 C ALA A 7 -19.250 -12.014 4.714 1.00 54.21 C ATOM 70 O ALA A 7 -20.460 -11.893 4.910 1.00 40.41 O ATOM 71 CB ALA A 7 -19.524 -14.483 4.485 1.00 60.42 C ATOM 0 H ALA A 7 -18.442 -14.047 6.725 1.00 0.41 H new ATOM 0 HA ALA A 7 -17.801 -13.405 4.004 1.00 72.12 H new ATOM 0 HB1 ALA A 7 -19.981 -14.328 3.508 1.00 60.42 H new ATOM 0 HB2 ALA A 7 -18.982 -15.429 4.486 1.00 60.42 H new ATOM 0 HB3 ALA A 7 -20.301 -14.509 5.249 1.00 60.42 H new ATOM 77 N ASP A 8 -18.429 -11.017 4.563 1.00 73.53 N ATOM 78 CA ASP A 8 -18.824 -9.625 4.467 1.00 74.54 C ATOM 79 C ASP A 8 -17.612 -8.805 4.082 1.00 41.35 C ATOM 80 O ASP A 8 -17.712 -7.774 3.415 1.00 74.52 O ATOM 81 CB ASP A 8 -19.395 -9.127 5.807 1.00 64.10 C ATOM 82 CG ASP A 8 -19.746 -7.659 5.788 1.00 62.30 C ATOM 83 OD1 ASP A 8 -20.633 -7.263 5.022 1.00 3.10 O ATOM 84 OD2 ASP A 8 -19.160 -6.892 6.565 1.00 14.31 O ATOM 0 H ASP A 8 -17.419 -11.148 4.500 1.00 73.53 H new ATOM 0 HA ASP A 8 -19.602 -9.520 3.711 1.00 74.54 H new ATOM 0 HB2 ASP A 8 -20.286 -9.705 6.054 1.00 64.10 H new ATOM 0 HB3 ASP A 8 -18.667 -9.311 6.597 1.00 64.10 H new ATOM 89 N MET A 9 -16.463 -9.302 4.478 1.00 61.13 N ATOM 90 CA MET A 9 -15.196 -8.648 4.213 1.00 50.13 C ATOM 91 C MET A 9 -14.403 -9.493 3.231 1.00 74.03 C ATOM 92 O MET A 9 -14.577 -10.714 3.180 1.00 50.31 O ATOM 93 CB MET A 9 -14.400 -8.527 5.515 1.00 73.31 C ATOM 94 CG MET A 9 -15.062 -7.704 6.618 1.00 70.12 C ATOM 95 SD MET A 9 -15.112 -5.930 6.283 1.00 2.32 S ATOM 96 CE MET A 9 -13.372 -5.523 6.314 1.00 14.15 C ATOM 0 H MET A 9 -16.377 -10.176 4.996 1.00 61.13 H new ATOM 0 HA MET A 9 -15.376 -7.656 3.800 1.00 50.13 H new ATOM 0 HB2 MET A 9 -14.210 -9.529 5.898 1.00 73.31 H new ATOM 0 HB3 MET A 9 -13.431 -8.084 5.288 1.00 73.31 H new ATOM 0 HG2 MET A 9 -16.080 -8.064 6.764 1.00 70.12 H new ATOM 0 HG3 MET A 9 -14.527 -7.872 7.553 1.00 70.12 H new ATOM 0 HE1 MET A 9 -13.246 -4.452 6.158 1.00 14.15 H new ATOM 0 HE2 MET A 9 -12.950 -5.801 7.280 1.00 14.15 H new ATOM 0 HE3 MET A 9 -12.857 -6.068 5.523 1.00 14.15 H new ATOM 106 N ILE A 10 -13.558 -8.870 2.458 1.00 54.55 N ATOM 107 CA ILE A 10 -12.705 -9.596 1.533 1.00 41.42 C ATOM 108 C ILE A 10 -11.235 -9.517 1.974 1.00 53.13 C ATOM 109 O ILE A 10 -10.761 -8.464 2.407 1.00 40.52 O ATOM 110 CB ILE A 10 -12.940 -9.188 0.010 1.00 65.22 C ATOM 111 CG1 ILE A 10 -12.897 -7.697 -0.229 1.00 22.41 C ATOM 112 CG2 ILE A 10 -14.239 -9.712 -0.524 1.00 5.13 C ATOM 113 CD1 ILE A 10 -11.548 -7.069 -0.231 1.00 34.43 C ATOM 0 H ILE A 10 -13.435 -7.858 2.444 1.00 54.55 H new ATOM 0 HA ILE A 10 -12.994 -10.646 1.574 1.00 41.42 H new ATOM 0 HB ILE A 10 -12.107 -9.648 -0.522 1.00 65.22 H new ATOM 0 HG12 ILE A 10 -13.372 -7.490 -1.188 1.00 22.41 H new ATOM 0 HG13 ILE A 10 -13.500 -7.210 0.537 1.00 22.41 H new ATOM 0 HG21 ILE A 10 -14.354 -9.408 -1.564 1.00 5.13 H new ATOM 0 HG22 ILE A 10 -14.246 -10.800 -0.461 1.00 5.13 H new ATOM 0 HG23 ILE A 10 -15.063 -9.309 0.065 1.00 5.13 H new ATOM 0 HD11 ILE A 10 -11.645 -5.999 -0.412 1.00 34.43 H new ATOM 0 HD12 ILE A 10 -11.070 -7.232 0.735 1.00 34.43 H new ATOM 0 HD13 ILE A 10 -10.940 -7.516 -1.017 1.00 34.43 H new ATOM 125 N ASN A 11 -10.538 -10.629 1.915 1.00 63.20 N ATOM 126 CA ASN A 11 -9.153 -10.677 2.371 1.00 63.14 C ATOM 127 C ASN A 11 -8.278 -10.174 1.244 1.00 45.23 C ATOM 128 O ASN A 11 -8.157 -10.822 0.215 1.00 3.22 O ATOM 129 CB ASN A 11 -8.778 -12.126 2.758 1.00 44.45 C ATOM 130 CG ASN A 11 -7.411 -12.313 3.471 1.00 3.53 C ATOM 131 OD1 ASN A 11 -6.456 -11.451 3.238 1.00 73.20 O flip ATOM 132 ND2 ASN A 11 -7.246 -13.241 4.257 1.00 14.01 N flip ATOM 0 H ASN A 11 -10.899 -11.514 1.558 1.00 63.20 H new ATOM 0 HA ASN A 11 -9.013 -10.052 3.253 1.00 63.14 H new ATOM 0 HB2 ASN A 11 -9.560 -12.521 3.407 1.00 44.45 H new ATOM 0 HB3 ASN A 11 -8.778 -12.733 1.853 1.00 44.45 H new ATOM 0 HD21 ASN A 11 -8.001 -13.905 4.428 1.00 14.01 H new ATOM 0 HD22 ASN A 11 -6.354 -13.348 4.739 1.00 14.01 H new ATOM 139 N LEU A 12 -7.682 -9.031 1.430 1.00 22.44 N ATOM 140 CA LEU A 12 -6.901 -8.420 0.388 1.00 43.32 C ATOM 141 C LEU A 12 -5.446 -8.258 0.770 1.00 33.13 C ATOM 142 O LEU A 12 -5.116 -7.801 1.863 1.00 61.34 O ATOM 143 CB LEU A 12 -7.516 -7.070 0.016 1.00 51.10 C ATOM 144 CG LEU A 12 -6.712 -6.169 -0.923 1.00 21.22 C ATOM 145 CD1 LEU A 12 -6.418 -6.826 -2.264 1.00 43.12 C ATOM 146 CD2 LEU A 12 -7.407 -4.839 -1.090 1.00 41.33 C ATOM 0 H LEU A 12 -7.722 -8.499 2.299 1.00 22.44 H new ATOM 0 HA LEU A 12 -6.921 -9.085 -0.475 1.00 43.32 H new ATOM 0 HB2 LEU A 12 -8.486 -7.256 -0.444 1.00 51.10 H new ATOM 0 HB3 LEU A 12 -7.701 -6.518 0.937 1.00 51.10 H new ATOM 0 HG LEU A 12 -5.740 -5.998 -0.460 1.00 21.22 H new ATOM 0 HD11 LEU A 12 -5.845 -6.140 -2.888 1.00 43.12 H new ATOM 0 HD12 LEU A 12 -5.842 -7.737 -2.104 1.00 43.12 H new ATOM 0 HD13 LEU A 12 -7.356 -7.072 -2.762 1.00 43.12 H new ATOM 0 HD21 LEU A 12 -6.825 -4.206 -1.760 1.00 41.33 H new ATOM 0 HD22 LEU A 12 -8.400 -4.998 -1.511 1.00 41.33 H new ATOM 0 HD23 LEU A 12 -7.498 -4.352 -0.119 1.00 41.33 H new ATOM 158 N ARG A 13 -4.590 -8.647 -0.138 1.00 43.20 N ATOM 159 CA ARG A 13 -3.192 -8.481 0.009 1.00 23.22 C ATOM 160 C ARG A 13 -2.703 -7.488 -1.031 1.00 42.24 C ATOM 161 O ARG A 13 -2.888 -7.684 -2.237 1.00 43.45 O ATOM 162 CB ARG A 13 -2.502 -9.820 -0.151 1.00 15.14 C ATOM 163 CG ARG A 13 -1.037 -9.805 0.201 1.00 45.14 C ATOM 164 CD ARG A 13 -0.536 -11.211 0.302 1.00 35.32 C ATOM 165 NE ARG A 13 0.822 -11.288 0.834 1.00 1.23 N ATOM 166 CZ ARG A 13 1.138 -11.898 1.988 1.00 14.44 C ATOM 167 NH1 ARG A 13 0.176 -12.384 2.771 1.00 4.51 N ATOM 168 NH2 ARG A 13 2.405 -11.977 2.373 1.00 61.11 N ATOM 0 H ARG A 13 -4.864 -9.095 -1.012 1.00 43.20 H new ATOM 0 HA ARG A 13 -2.959 -8.095 1.001 1.00 23.22 H new ATOM 0 HB2 ARG A 13 -3.008 -10.554 0.476 1.00 15.14 H new ATOM 0 HB3 ARG A 13 -2.613 -10.152 -1.183 1.00 15.14 H new ATOM 0 HG2 ARG A 13 -0.475 -9.261 -0.558 1.00 45.14 H new ATOM 0 HG3 ARG A 13 -0.884 -9.284 1.146 1.00 45.14 H new ATOM 0 HD2 ARG A 13 -1.206 -11.786 0.942 1.00 35.32 H new ATOM 0 HD3 ARG A 13 -0.562 -11.674 -0.685 1.00 35.32 H new ATOM 0 HE ARG A 13 1.574 -10.854 0.298 1.00 1.23 H new ATOM 0 HH11 ARG A 13 -0.802 -12.293 2.494 1.00 4.51 H new ATOM 0 HH12 ARG A 13 0.417 -12.847 3.647 1.00 4.51 H new ATOM 0 HH21 ARG A 13 3.141 -11.574 1.792 1.00 61.11 H new ATOM 0 HH22 ARG A 13 2.644 -12.441 3.250 1.00 61.11 H new ATOM 182 N LEU A 14 -2.097 -6.451 -0.554 1.00 24.41 N ATOM 183 CA LEU A 14 -1.592 -5.361 -1.352 1.00 33.25 C ATOM 184 C LEU A 14 -0.093 -5.549 -1.538 1.00 30.23 C ATOM 185 O LEU A 14 0.645 -5.711 -0.556 1.00 73.10 O ATOM 186 CB LEU A 14 -1.874 -3.977 -0.639 1.00 44.53 C ATOM 187 CG LEU A 14 -3.349 -3.550 -0.401 1.00 41.32 C ATOM 188 CD1 LEU A 14 -4.119 -3.411 -1.694 1.00 1.03 C ATOM 189 CD2 LEU A 14 -4.080 -4.474 0.557 1.00 41.11 C ATOM 0 H LEU A 14 -1.929 -6.326 0.444 1.00 24.41 H new ATOM 0 HA LEU A 14 -2.093 -5.356 -2.320 1.00 33.25 H new ATOM 0 HB2 LEU A 14 -1.374 -3.996 0.330 1.00 44.53 H new ATOM 0 HB3 LEU A 14 -1.395 -3.196 -1.230 1.00 44.53 H new ATOM 0 HG LEU A 14 -3.297 -2.567 0.068 1.00 41.32 H new ATOM 0 HD11 LEU A 14 -5.144 -3.111 -1.477 1.00 1.03 H new ATOM 0 HD12 LEU A 14 -3.645 -2.655 -2.320 1.00 1.03 H new ATOM 0 HD13 LEU A 14 -4.124 -4.366 -2.219 1.00 1.03 H new ATOM 0 HD21 LEU A 14 -5.105 -4.127 0.686 1.00 41.11 H new ATOM 0 HD22 LEU A 14 -4.087 -5.486 0.152 1.00 41.11 H new ATOM 0 HD23 LEU A 14 -3.573 -4.473 1.522 1.00 41.11 H new ATOM 201 N ILE A 15 0.363 -5.566 -2.765 1.00 43.53 N ATOM 202 CA ILE A 15 1.785 -5.702 -3.001 1.00 10.23 C ATOM 203 C ILE A 15 2.338 -4.322 -3.272 1.00 73.33 C ATOM 204 O ILE A 15 1.860 -3.623 -4.172 1.00 1.14 O ATOM 205 CB ILE A 15 2.126 -6.580 -4.240 1.00 61.42 C ATOM 206 CG1 ILE A 15 1.305 -7.872 -4.283 1.00 64.51 C ATOM 207 CG2 ILE A 15 3.620 -6.910 -4.237 1.00 52.14 C ATOM 208 CD1 ILE A 15 1.539 -8.794 -3.162 1.00 11.20 C ATOM 0 H ILE A 15 -0.213 -5.489 -3.603 1.00 43.53 H new ATOM 0 HA ILE A 15 2.215 -6.182 -2.122 1.00 10.23 H new ATOM 0 HB ILE A 15 1.870 -6.007 -5.131 1.00 61.42 H new ATOM 0 HG12 ILE A 15 0.247 -7.612 -4.305 1.00 64.51 H new ATOM 0 HG13 ILE A 15 1.524 -8.393 -5.215 1.00 64.51 H new ATOM 0 HG21 ILE A 15 3.859 -7.525 -5.105 1.00 52.14 H new ATOM 0 HG22 ILE A 15 4.197 -5.986 -4.277 1.00 52.14 H new ATOM 0 HG23 ILE A 15 3.871 -7.455 -3.327 1.00 52.14 H new ATOM 0 HD11 ILE A 15 0.913 -9.678 -3.281 1.00 11.20 H new ATOM 0 HD12 ILE A 15 2.588 -9.091 -3.148 1.00 11.20 H new ATOM 0 HD13 ILE A 15 1.290 -8.297 -2.224 1.00 11.20 H new ATOM 220 N LEU A 16 3.311 -3.928 -2.500 1.00 4.45 N ATOM 221 CA LEU A 16 3.949 -2.638 -2.676 1.00 33.21 C ATOM 222 C LEU A 16 4.997 -2.738 -3.776 1.00 74.53 C ATOM 223 O LEU A 16 5.513 -3.833 -4.046 1.00 35.10 O ATOM 224 CB LEU A 16 4.605 -2.145 -1.361 1.00 52.33 C ATOM 225 CG LEU A 16 3.678 -1.731 -0.182 1.00 72.24 C ATOM 226 CD1 LEU A 16 2.794 -2.870 0.301 1.00 64.40 C ATOM 227 CD2 LEU A 16 4.511 -1.208 0.966 1.00 14.02 C ATOM 0 H LEU A 16 3.689 -4.483 -1.732 1.00 4.45 H new ATOM 0 HA LEU A 16 3.185 -1.913 -2.957 1.00 33.21 H new ATOM 0 HB2 LEU A 16 5.265 -2.935 -1.003 1.00 52.33 H new ATOM 0 HB3 LEU A 16 5.235 -1.289 -1.605 1.00 52.33 H new ATOM 0 HG LEU A 16 3.017 -0.949 -0.555 1.00 72.24 H new ATOM 0 HD11 LEU A 16 2.170 -2.522 1.124 1.00 64.40 H new ATOM 0 HD12 LEU A 16 2.159 -3.210 -0.517 1.00 64.40 H new ATOM 0 HD13 LEU A 16 3.418 -3.695 0.643 1.00 64.40 H new ATOM 0 HD21 LEU A 16 3.857 -0.920 1.789 1.00 14.02 H new ATOM 0 HD22 LEU A 16 5.196 -1.986 1.303 1.00 14.02 H new ATOM 0 HD23 LEU A 16 5.082 -0.340 0.635 1.00 14.02 H new ATOM 239 N VAL A 17 5.339 -1.606 -4.396 1.00 25.02 N ATOM 240 CA VAL A 17 6.315 -1.582 -5.494 1.00 44.33 C ATOM 241 C VAL A 17 7.719 -1.959 -5.025 1.00 2.23 C ATOM 242 O VAL A 17 8.593 -2.266 -5.832 1.00 23.43 O ATOM 243 CB VAL A 17 6.353 -0.222 -6.245 1.00 51.44 C ATOM 244 CG1 VAL A 17 5.019 0.068 -6.886 1.00 53.11 C ATOM 245 CG2 VAL A 17 6.751 0.918 -5.322 1.00 34.44 C ATOM 0 H VAL A 17 4.955 -0.692 -4.158 1.00 25.02 H new ATOM 0 HA VAL A 17 5.970 -2.338 -6.199 1.00 44.33 H new ATOM 0 HB VAL A 17 7.111 -0.301 -7.024 1.00 51.44 H new ATOM 0 HG11 VAL A 17 5.066 1.024 -7.407 1.00 53.11 H new ATOM 0 HG12 VAL A 17 4.778 -0.722 -7.598 1.00 53.11 H new ATOM 0 HG13 VAL A 17 4.248 0.111 -6.117 1.00 53.11 H new ATOM 0 HG21 VAL A 17 6.766 1.852 -5.883 1.00 34.44 H new ATOM 0 HG22 VAL A 17 6.030 0.996 -4.508 1.00 34.44 H new ATOM 0 HG23 VAL A 17 7.742 0.725 -4.912 1.00 34.44 H new ATOM 255 N SER A 18 7.910 -1.956 -3.718 1.00 12.54 N ATOM 256 CA SER A 18 9.165 -2.332 -3.118 1.00 34.12 C ATOM 257 C SER A 18 9.315 -3.854 -3.148 1.00 13.44 C ATOM 258 O SER A 18 10.405 -4.383 -2.971 1.00 35.40 O ATOM 259 CB SER A 18 9.198 -1.851 -1.662 1.00 4.23 C ATOM 260 OG SER A 18 10.442 -2.119 -1.045 1.00 72.02 O ATOM 0 H SER A 18 7.191 -1.690 -3.045 1.00 12.54 H new ATOM 0 HA SER A 18 9.982 -1.875 -3.676 1.00 34.12 H new ATOM 0 HB2 SER A 18 9.000 -0.780 -1.629 1.00 4.23 H new ATOM 0 HB3 SER A 18 8.402 -2.339 -1.100 1.00 4.23 H new ATOM 0 HG SER A 18 10.922 -1.277 -0.898 1.00 72.02 H new ATOM 266 N GLY A 19 8.217 -4.547 -3.361 1.00 41.41 N ATOM 267 CA GLY A 19 8.252 -5.979 -3.384 1.00 40.51 C ATOM 268 C GLY A 19 7.772 -6.578 -2.095 1.00 52.30 C ATOM 269 O GLY A 19 7.630 -7.797 -1.984 1.00 23.23 O ATOM 0 H GLY A 19 7.297 -4.137 -3.519 1.00 41.41 H new ATOM 0 HA2 GLY A 19 7.633 -6.343 -4.204 1.00 40.51 H new ATOM 0 HA3 GLY A 19 9.271 -6.313 -3.581 1.00 40.51 H new ATOM 273 N LYS A 20 7.515 -5.737 -1.102 1.00 12.50 N ATOM 274 CA LYS A 20 6.976 -6.248 0.126 1.00 23.22 C ATOM 275 C LYS A 20 5.488 -6.319 0.051 1.00 51.50 C ATOM 276 O LYS A 20 4.833 -5.438 -0.516 1.00 51.14 O ATOM 277 CB LYS A 20 7.426 -5.527 1.416 1.00 31.12 C ATOM 278 CG LYS A 20 8.897 -5.720 1.787 1.00 14.43 C ATOM 279 CD LYS A 20 9.804 -4.623 1.270 1.00 42.02 C ATOM 280 CE LYS A 20 9.524 -3.305 1.996 1.00 34.24 C ATOM 281 NZ LYS A 20 10.488 -2.246 1.638 1.00 2.22 N ATOM 0 H LYS A 20 7.669 -4.729 -1.130 1.00 12.50 H new ATOM 0 HA LYS A 20 7.402 -7.247 0.217 1.00 23.22 H new ATOM 0 HB2 LYS A 20 7.232 -4.460 1.304 1.00 31.12 H new ATOM 0 HB3 LYS A 20 6.809 -5.878 2.244 1.00 31.12 H new ATOM 0 HG2 LYS A 20 8.985 -5.771 2.872 1.00 14.43 H new ATOM 0 HG3 LYS A 20 9.239 -6.677 1.394 1.00 14.43 H new ATOM 0 HD2 LYS A 20 10.846 -4.908 1.412 1.00 42.02 H new ATOM 0 HD3 LYS A 20 9.652 -4.493 0.198 1.00 42.02 H new ATOM 0 HE2 LYS A 20 8.515 -2.969 1.756 1.00 34.24 H new ATOM 0 HE3 LYS A 20 9.557 -3.473 3.072 1.00 34.24 H new ATOM 0 HZ1 LYS A 20 10.070 -1.315 1.836 1.00 2.22 H new ATOM 0 HZ2 LYS A 20 11.356 -2.363 2.199 1.00 2.22 H new ATOM 0 HZ3 LYS A 20 10.718 -2.314 0.626 1.00 2.22 H new ATOM 295 N THR A 21 4.966 -7.362 0.585 1.00 41.42 N ATOM 296 CA THR A 21 3.577 -7.611 0.557 1.00 23.30 C ATOM 297 C THR A 21 2.958 -7.196 1.877 1.00 3.43 C ATOM 298 O THR A 21 3.529 -7.454 2.936 1.00 3.51 O ATOM 299 CB THR A 21 3.324 -9.106 0.313 1.00 42.34 C ATOM 300 OG1 THR A 21 3.872 -9.884 1.391 1.00 3.42 O ATOM 301 CG2 THR A 21 3.999 -9.551 -0.968 1.00 2.51 C ATOM 0 H THR A 21 5.508 -8.081 1.064 1.00 41.42 H new ATOM 0 HA THR A 21 3.124 -7.034 -0.249 1.00 23.30 H new ATOM 0 HB THR A 21 2.247 -9.257 0.245 1.00 42.34 H new ATOM 0 HG1 THR A 21 4.545 -10.503 1.038 1.00 3.42 H new ATOM 0 HG21 THR A 21 3.811 -10.613 -1.128 1.00 2.51 H new ATOM 0 HG22 THR A 21 3.599 -8.981 -1.807 1.00 2.51 H new ATOM 0 HG23 THR A 21 5.073 -9.380 -0.892 1.00 2.51 H new ATOM 309 N LYS A 22 1.833 -6.555 1.823 1.00 35.30 N ATOM 310 CA LYS A 22 1.153 -6.138 3.030 1.00 60.23 C ATOM 311 C LYS A 22 -0.275 -6.679 2.927 1.00 54.31 C ATOM 312 O LYS A 22 -0.865 -6.621 1.858 1.00 21.44 O ATOM 313 CB LYS A 22 1.154 -4.597 3.065 1.00 2.21 C ATOM 314 CG LYS A 22 0.882 -3.951 4.417 1.00 72.32 C ATOM 315 CD LYS A 22 1.982 -4.298 5.415 1.00 61.12 C ATOM 316 CE LYS A 22 1.849 -3.516 6.716 1.00 1.31 C ATOM 317 NZ LYS A 22 2.052 -2.051 6.520 1.00 43.51 N ATOM 0 H LYS A 22 1.356 -6.304 0.957 1.00 35.30 H new ATOM 0 HA LYS A 22 1.630 -6.508 3.937 1.00 60.23 H new ATOM 0 HB2 LYS A 22 2.123 -4.248 2.708 1.00 2.21 H new ATOM 0 HB3 LYS A 22 0.406 -4.239 2.358 1.00 2.21 H new ATOM 0 HG2 LYS A 22 0.818 -2.869 4.302 1.00 72.32 H new ATOM 0 HG3 LYS A 22 -0.081 -4.289 4.799 1.00 72.32 H new ATOM 0 HD2 LYS A 22 1.950 -5.366 5.631 1.00 61.12 H new ATOM 0 HD3 LYS A 22 2.954 -4.092 4.967 1.00 61.12 H new ATOM 0 HE2 LYS A 22 0.861 -3.690 7.142 1.00 1.31 H new ATOM 0 HE3 LYS A 22 2.577 -3.888 7.437 1.00 1.31 H new ATOM 0 HZ1 LYS A 22 2.019 -1.570 7.441 1.00 43.51 H new ATOM 0 HZ2 LYS A 22 2.977 -1.885 6.075 1.00 43.51 H new ATOM 0 HZ3 LYS A 22 1.301 -1.675 5.906 1.00 43.51 H new ATOM 331 N GLU A 23 -0.836 -7.204 3.995 1.00 52.11 N ATOM 332 CA GLU A 23 -2.170 -7.788 3.882 1.00 44.12 C ATOM 333 C GLU A 23 -3.031 -7.403 5.074 1.00 24.31 C ATOM 334 O GLU A 23 -2.608 -7.536 6.232 1.00 43.42 O ATOM 335 CB GLU A 23 -2.078 -9.313 3.801 1.00 62.51 C ATOM 336 CG GLU A 23 -3.337 -9.986 3.302 1.00 31.51 C ATOM 337 CD GLU A 23 -3.250 -11.475 3.373 1.00 64.24 C ATOM 338 OE1 GLU A 23 -2.498 -12.079 2.592 1.00 55.33 O ATOM 339 OE2 GLU A 23 -3.928 -12.063 4.229 1.00 61.30 O ATOM 0 H GLU A 23 -0.414 -7.243 4.923 1.00 52.11 H new ATOM 0 HA GLU A 23 -2.628 -7.401 2.972 1.00 44.12 H new ATOM 0 HB2 GLU A 23 -1.251 -9.581 3.143 1.00 62.51 H new ATOM 0 HB3 GLU A 23 -1.838 -9.704 4.790 1.00 62.51 H new ATOM 0 HG2 GLU A 23 -4.187 -9.645 3.893 1.00 31.51 H new ATOM 0 HG3 GLU A 23 -3.524 -9.684 2.271 1.00 31.51 H new ATOM 346 N PHE A 24 -4.217 -6.946 4.795 1.00 44.04 N ATOM 347 CA PHE A 24 -5.184 -6.565 5.807 1.00 74.32 C ATOM 348 C PHE A 24 -6.561 -6.904 5.327 1.00 74.14 C ATOM 349 O PHE A 24 -6.773 -7.101 4.126 1.00 65.14 O ATOM 350 CB PHE A 24 -5.125 -5.078 6.162 1.00 44.11 C ATOM 351 CG PHE A 24 -3.888 -4.627 6.884 1.00 10.40 C ATOM 352 CD1 PHE A 24 -3.743 -4.864 8.243 1.00 34.22 C ATOM 353 CD2 PHE A 24 -2.881 -3.961 6.215 1.00 54.00 C ATOM 354 CE1 PHE A 24 -2.615 -4.446 8.917 1.00 11.04 C ATOM 355 CE2 PHE A 24 -1.753 -3.538 6.882 1.00 63.21 C ATOM 356 CZ PHE A 24 -1.619 -3.781 8.236 1.00 73.30 C ATOM 0 H PHE A 24 -4.555 -6.822 3.841 1.00 44.04 H new ATOM 0 HA PHE A 24 -4.937 -7.121 6.712 1.00 74.32 H new ATOM 0 HB2 PHE A 24 -5.217 -4.500 5.242 1.00 44.11 H new ATOM 0 HB3 PHE A 24 -5.991 -4.836 6.778 1.00 44.11 H new ATOM 0 HD1 PHE A 24 -4.523 -5.382 8.780 1.00 34.22 H new ATOM 0 HD2 PHE A 24 -2.979 -3.770 5.157 1.00 54.00 H new ATOM 0 HE1 PHE A 24 -2.513 -4.639 9.975 1.00 11.04 H new ATOM 0 HE2 PHE A 24 -0.973 -3.016 6.347 1.00 63.21 H new ATOM 0 HZ PHE A 24 -0.734 -3.450 8.760 1.00 73.30 H new ATOM 366 N LEU A 25 -7.486 -7.011 6.226 1.00 23.42 N ATOM 367 CA LEU A 25 -8.832 -7.265 5.835 1.00 14.51 C ATOM 368 C LEU A 25 -9.496 -5.927 5.490 1.00 15.22 C ATOM 369 O LEU A 25 -9.500 -5.003 6.310 1.00 31.22 O ATOM 370 CB LEU A 25 -9.568 -7.972 6.977 1.00 63.23 C ATOM 371 CG LEU A 25 -10.983 -8.428 6.701 1.00 14.33 C ATOM 372 CD1 LEU A 25 -11.001 -9.366 5.521 1.00 23.43 C ATOM 373 CD2 LEU A 25 -11.559 -9.119 7.925 1.00 22.20 C ATOM 0 H LEU A 25 -7.334 -6.927 7.231 1.00 23.42 H new ATOM 0 HA LEU A 25 -8.866 -7.914 4.960 1.00 14.51 H new ATOM 0 HB2 LEU A 25 -8.982 -8.843 7.270 1.00 63.23 H new ATOM 0 HB3 LEU A 25 -9.590 -7.299 7.834 1.00 63.23 H new ATOM 0 HG LEU A 25 -11.595 -7.556 6.470 1.00 14.33 H new ATOM 0 HD11 LEU A 25 -12.024 -9.690 5.329 1.00 23.43 H new ATOM 0 HD12 LEU A 25 -10.612 -8.852 4.642 1.00 23.43 H new ATOM 0 HD13 LEU A 25 -10.380 -10.235 5.738 1.00 23.43 H new ATOM 0 HD21 LEU A 25 -12.578 -9.443 7.714 1.00 22.20 H new ATOM 0 HD22 LEU A 25 -10.947 -9.986 8.175 1.00 22.20 H new ATOM 0 HD23 LEU A 25 -11.565 -8.425 8.765 1.00 22.20 H new ATOM 385 N PHE A 26 -10.043 -5.839 4.295 1.00 65.03 N ATOM 386 CA PHE A 26 -10.696 -4.629 3.799 1.00 14.40 C ATOM 387 C PHE A 26 -12.074 -4.985 3.272 1.00 32.05 C ATOM 388 O PHE A 26 -12.435 -6.175 3.223 1.00 20.20 O ATOM 389 CB PHE A 26 -9.867 -3.953 2.676 1.00 45.14 C ATOM 390 CG PHE A 26 -8.540 -3.354 3.103 1.00 34.23 C ATOM 391 CD1 PHE A 26 -8.484 -2.065 3.607 1.00 34.41 C ATOM 392 CD2 PHE A 26 -7.353 -4.065 2.978 1.00 74.31 C ATOM 393 CE1 PHE A 26 -7.277 -1.499 3.977 1.00 1.01 C ATOM 394 CE2 PHE A 26 -6.151 -3.507 3.349 1.00 3.13 C ATOM 395 CZ PHE A 26 -6.107 -2.225 3.847 1.00 20.31 C ATOM 0 H PHE A 26 -10.051 -6.610 3.628 1.00 65.03 H new ATOM 0 HA PHE A 26 -10.779 -3.922 4.625 1.00 14.40 H new ATOM 0 HB2 PHE A 26 -9.677 -4.691 1.897 1.00 45.14 H new ATOM 0 HB3 PHE A 26 -10.472 -3.165 2.228 1.00 45.14 H new ATOM 0 HD1 PHE A 26 -9.395 -1.494 3.713 1.00 34.41 H new ATOM 0 HD2 PHE A 26 -7.374 -5.070 2.584 1.00 74.31 H new ATOM 0 HE1 PHE A 26 -7.248 -0.492 4.367 1.00 1.01 H new ATOM 0 HE2 PHE A 26 -5.239 -4.077 3.249 1.00 3.13 H new ATOM 0 HZ PHE A 26 -5.163 -1.787 4.135 1.00 20.31 H new ATOM 405 N SER A 27 -12.852 -4.001 2.887 1.00 44.00 N ATOM 406 CA SER A 27 -14.161 -4.299 2.392 1.00 53.23 C ATOM 407 C SER A 27 -14.118 -4.319 0.878 1.00 34.10 C ATOM 408 O SER A 27 -13.261 -3.668 0.267 1.00 25.23 O ATOM 409 CB SER A 27 -15.206 -3.280 2.885 1.00 21.23 C ATOM 410 OG SER A 27 -15.028 -2.000 2.308 1.00 64.55 O ATOM 0 H SER A 27 -12.604 -3.012 2.908 1.00 44.00 H new ATOM 0 HA SER A 27 -14.463 -5.275 2.772 1.00 53.23 H new ATOM 0 HB2 SER A 27 -16.205 -3.646 2.649 1.00 21.23 H new ATOM 0 HB3 SER A 27 -15.145 -3.198 3.970 1.00 21.23 H new ATOM 0 HG SER A 27 -14.075 -1.848 2.137 1.00 64.55 H new ATOM 416 N PRO A 28 -15.024 -5.057 0.234 1.00 72.12 N ATOM 417 CA PRO A 28 -15.094 -5.121 -1.224 1.00 63.21 C ATOM 418 C PRO A 28 -15.447 -3.766 -1.844 1.00 74.10 C ATOM 419 O PRO A 28 -15.296 -3.562 -3.052 1.00 53.03 O ATOM 420 CB PRO A 28 -16.220 -6.137 -1.471 1.00 4.22 C ATOM 421 CG PRO A 28 -17.034 -6.067 -0.239 1.00 23.41 C ATOM 422 CD PRO A 28 -16.043 -5.920 0.859 1.00 73.01 C ATOM 0 HA PRO A 28 -14.141 -5.399 -1.674 1.00 63.21 H new ATOM 0 HB2 PRO A 28 -16.806 -5.878 -2.353 1.00 4.22 H new ATOM 0 HB3 PRO A 28 -15.825 -7.140 -1.633 1.00 4.22 H new ATOM 0 HG2 PRO A 28 -17.723 -5.223 -0.267 1.00 23.41 H new ATOM 0 HG3 PRO A 28 -17.637 -6.966 -0.111 1.00 23.41 H new ATOM 0 HD2 PRO A 28 -16.480 -5.460 1.745 1.00 73.01 H new ATOM 0 HD3 PRO A 28 -15.631 -6.880 1.169 1.00 73.01 H new ATOM 430 N ASN A 29 -15.886 -2.843 -1.012 1.00 30.14 N ATOM 431 CA ASN A 29 -16.314 -1.548 -1.474 1.00 65.53 C ATOM 432 C ASN A 29 -15.185 -0.535 -1.425 1.00 23.31 C ATOM 433 O ASN A 29 -15.334 0.587 -1.907 1.00 24.33 O ATOM 434 CB ASN A 29 -17.516 -1.048 -0.672 1.00 55.03 C ATOM 435 CG ASN A 29 -18.702 -1.994 -0.750 1.00 21.12 C ATOM 436 OD1 ASN A 29 -18.853 -2.885 0.087 1.00 62.22 O ATOM 437 ND2 ASN A 29 -19.538 -1.817 -1.741 1.00 33.13 N ATOM 0 H ASN A 29 -15.954 -2.973 -0.003 1.00 30.14 H new ATOM 0 HA ASN A 29 -16.617 -1.661 -2.515 1.00 65.53 H new ATOM 0 HB2 ASN A 29 -17.225 -0.920 0.371 1.00 55.03 H new ATOM 0 HB3 ASN A 29 -17.813 -0.067 -1.042 1.00 55.03 H new ATOM 0 HD21 ASN A 29 -20.348 -2.428 -1.840 1.00 33.13 H new ATOM 0 HD22 ASN A 29 -19.379 -1.068 -2.415 1.00 33.13 H new ATOM 444 N ASP A 30 -14.053 -0.915 -0.846 1.00 33.34 N ATOM 445 CA ASP A 30 -12.900 -0.005 -0.794 1.00 10.13 C ATOM 446 C ASP A 30 -12.154 0.016 -2.124 1.00 72.41 C ATOM 447 O ASP A 30 -12.213 -0.949 -2.892 1.00 43.33 O ATOM 448 CB ASP A 30 -11.939 -0.308 0.379 1.00 61.31 C ATOM 449 CG ASP A 30 -12.521 0.017 1.736 1.00 43.34 C ATOM 450 OD1 ASP A 30 -12.751 1.225 2.019 1.00 71.31 O ATOM 451 OD2 ASP A 30 -12.772 -0.910 2.534 1.00 41.23 O ATOM 0 H ASP A 30 -13.902 -1.826 -0.412 1.00 33.34 H new ATOM 0 HA ASP A 30 -13.305 0.990 -0.609 1.00 10.13 H new ATOM 0 HB2 ASP A 30 -11.668 -1.363 0.352 1.00 61.31 H new ATOM 0 HB3 ASP A 30 -11.020 0.261 0.241 1.00 61.31 H new ATOM 456 N SER A 31 -11.482 1.122 -2.412 1.00 54.44 N ATOM 457 CA SER A 31 -10.747 1.264 -3.646 1.00 24.24 C ATOM 458 C SER A 31 -9.289 0.849 -3.459 1.00 4.20 C ATOM 459 O SER A 31 -8.578 1.414 -2.632 1.00 73.40 O ATOM 460 CB SER A 31 -10.845 2.695 -4.135 1.00 42.34 C ATOM 461 OG SER A 31 -12.212 3.055 -4.308 1.00 35.30 O ATOM 0 H SER A 31 -11.435 1.935 -1.798 1.00 54.44 H new ATOM 0 HA SER A 31 -11.184 0.605 -4.397 1.00 24.24 H new ATOM 0 HB2 SER A 31 -10.371 3.366 -3.419 1.00 42.34 H new ATOM 0 HB3 SER A 31 -10.309 2.804 -5.078 1.00 42.34 H new ATOM 0 HG SER A 31 -12.269 3.981 -4.623 1.00 35.30 H new ATOM 467 N ALA A 32 -8.868 -0.123 -4.259 1.00 31.35 N ATOM 468 CA ALA A 32 -7.528 -0.734 -4.211 1.00 42.32 C ATOM 469 C ALA A 32 -6.391 0.293 -4.192 1.00 33.51 C ATOM 470 O ALA A 32 -5.466 0.188 -3.391 1.00 23.14 O ATOM 471 CB ALA A 32 -7.374 -1.607 -5.423 1.00 34.01 C ATOM 0 H ALA A 32 -9.461 -0.526 -4.984 1.00 31.35 H new ATOM 0 HA ALA A 32 -7.455 -1.299 -3.282 1.00 42.32 H new ATOM 0 HB1 ALA A 32 -6.389 -2.073 -5.413 1.00 34.01 H new ATOM 0 HB2 ALA A 32 -8.141 -2.381 -5.414 1.00 34.01 H new ATOM 0 HB3 ALA A 32 -7.480 -1.002 -6.323 1.00 34.01 H new ATOM 477 N SER A 33 -6.470 1.271 -5.066 1.00 20.03 N ATOM 478 CA SER A 33 -5.437 2.271 -5.200 1.00 65.53 C ATOM 479 C SER A 33 -5.328 3.197 -3.968 1.00 31.45 C ATOM 480 O SER A 33 -4.234 3.641 -3.611 1.00 62.41 O ATOM 481 CB SER A 33 -5.637 3.025 -6.516 1.00 3.21 C ATOM 482 OG SER A 33 -7.002 3.369 -6.698 1.00 21.23 O ATOM 0 H SER A 33 -7.255 1.395 -5.705 1.00 20.03 H new ATOM 0 HA SER A 33 -4.469 1.772 -5.237 1.00 65.53 H new ATOM 0 HB2 SER A 33 -5.026 3.928 -6.519 1.00 3.21 H new ATOM 0 HB3 SER A 33 -5.299 2.408 -7.349 1.00 3.21 H new ATOM 0 HG SER A 33 -7.136 3.704 -7.609 1.00 21.23 H new ATOM 488 N ASP A 34 -6.458 3.477 -3.329 1.00 44.01 N ATOM 489 CA ASP A 34 -6.473 4.278 -2.094 1.00 45.12 C ATOM 490 C ASP A 34 -5.861 3.432 -0.990 1.00 52.34 C ATOM 491 O ASP A 34 -5.005 3.881 -0.223 1.00 43.55 O ATOM 492 CB ASP A 34 -7.913 4.647 -1.710 1.00 53.12 C ATOM 493 CG ASP A 34 -7.984 5.737 -0.651 1.00 50.11 C ATOM 494 OD1 ASP A 34 -7.805 5.439 0.547 1.00 11.32 O ATOM 495 OD2 ASP A 34 -8.240 6.905 -1.025 1.00 63.20 O ATOM 0 H ASP A 34 -7.378 3.165 -3.639 1.00 44.01 H new ATOM 0 HA ASP A 34 -5.911 5.200 -2.242 1.00 45.12 H new ATOM 0 HB2 ASP A 34 -8.447 4.978 -2.601 1.00 53.12 H new ATOM 0 HB3 ASP A 34 -8.425 3.757 -1.343 1.00 53.12 H new ATOM 500 N ILE A 35 -6.295 2.167 -0.954 1.00 53.24 N ATOM 501 CA ILE A 35 -5.821 1.181 0.011 1.00 22.24 C ATOM 502 C ILE A 35 -4.300 1.052 -0.035 1.00 50.24 C ATOM 503 O ILE A 35 -3.656 0.940 1.012 1.00 3.25 O ATOM 504 CB ILE A 35 -6.446 -0.210 -0.249 1.00 75.54 C ATOM 505 CG1 ILE A 35 -7.961 -0.175 -0.080 1.00 2.24 C ATOM 506 CG2 ILE A 35 -5.843 -1.247 0.665 1.00 55.04 C ATOM 507 CD1 ILE A 35 -8.612 -1.510 -0.343 1.00 52.44 C ATOM 0 H ILE A 35 -6.992 1.800 -1.602 1.00 53.24 H new ATOM 0 HA ILE A 35 -6.127 1.534 0.996 1.00 22.24 H new ATOM 0 HB ILE A 35 -6.225 -0.483 -1.281 1.00 75.54 H new ATOM 0 HG12 ILE A 35 -8.201 0.147 0.933 1.00 2.24 H new ATOM 0 HG13 ILE A 35 -8.380 0.568 -0.759 1.00 2.24 H new ATOM 0 HG21 ILE A 35 -6.298 -2.217 0.464 1.00 55.04 H new ATOM 0 HG22 ILE A 35 -4.769 -1.306 0.489 1.00 55.04 H new ATOM 0 HG23 ILE A 35 -6.026 -0.968 1.703 1.00 55.04 H new ATOM 0 HD11 ILE A 35 -9.690 -1.422 -0.207 1.00 52.44 H new ATOM 0 HD12 ILE A 35 -8.399 -1.823 -1.365 1.00 52.44 H new ATOM 0 HD13 ILE A 35 -8.218 -2.250 0.353 1.00 52.44 H new ATOM 519 N ALA A 36 -3.746 1.069 -1.248 1.00 10.32 N ATOM 520 CA ALA A 36 -2.305 1.012 -1.478 1.00 75.44 C ATOM 521 C ALA A 36 -1.560 2.049 -0.642 1.00 72.42 C ATOM 522 O ALA A 36 -0.478 1.778 -0.125 1.00 74.34 O ATOM 523 CB ALA A 36 -2.006 1.239 -2.947 1.00 32.43 C ATOM 0 H ALA A 36 -4.293 1.123 -2.107 1.00 10.32 H new ATOM 0 HA ALA A 36 -1.961 0.022 -1.177 1.00 75.44 H new ATOM 0 HB1 ALA A 36 -0.929 1.195 -3.110 1.00 32.43 H new ATOM 0 HB2 ALA A 36 -2.495 0.467 -3.541 1.00 32.43 H new ATOM 0 HB3 ALA A 36 -2.379 2.218 -3.247 1.00 32.43 H new ATOM 529 N LYS A 37 -2.148 3.216 -0.493 1.00 62.23 N ATOM 530 CA LYS A 37 -1.550 4.258 0.266 1.00 72.10 C ATOM 531 C LYS A 37 -1.634 3.968 1.768 1.00 72.24 C ATOM 532 O LYS A 37 -0.711 4.253 2.510 1.00 73.04 O ATOM 533 CB LYS A 37 -2.116 5.619 -0.158 1.00 4.44 C ATOM 534 CG LYS A 37 -1.676 6.018 -1.558 1.00 72.21 C ATOM 535 CD LYS A 37 -2.167 7.400 -1.968 1.00 10.05 C ATOM 536 CE LYS A 37 -1.676 7.732 -3.373 1.00 45.03 C ATOM 537 NZ LYS A 37 -2.094 9.083 -3.836 1.00 3.25 N ATOM 0 H LYS A 37 -3.052 3.455 -0.899 1.00 62.23 H new ATOM 0 HA LYS A 37 -0.482 4.302 0.051 1.00 72.10 H new ATOM 0 HB2 LYS A 37 -3.205 5.585 -0.118 1.00 4.44 H new ATOM 0 HB3 LYS A 37 -1.794 6.381 0.552 1.00 4.44 H new ATOM 0 HG2 LYS A 37 -0.587 5.996 -1.610 1.00 72.21 H new ATOM 0 HG3 LYS A 37 -2.045 5.281 -2.272 1.00 72.21 H new ATOM 0 HD2 LYS A 37 -3.256 7.432 -1.937 1.00 10.05 H new ATOM 0 HD3 LYS A 37 -1.806 8.148 -1.262 1.00 10.05 H new ATOM 0 HE2 LYS A 37 -0.588 7.668 -3.395 1.00 45.03 H new ATOM 0 HE3 LYS A 37 -2.054 6.983 -4.069 1.00 45.03 H new ATOM 0 HZ1 LYS A 37 -1.730 9.249 -4.796 1.00 3.25 H new ATOM 0 HZ2 LYS A 37 -3.132 9.141 -3.844 1.00 3.25 H new ATOM 0 HZ3 LYS A 37 -1.712 9.804 -3.192 1.00 3.25 H new ATOM 551 N HIS A 38 -2.728 3.331 2.189 1.00 32.12 N ATOM 552 CA HIS A 38 -2.908 2.953 3.596 1.00 14.12 C ATOM 553 C HIS A 38 -1.995 1.805 3.994 1.00 22.31 C ATOM 554 O HIS A 38 -1.409 1.823 5.071 1.00 61.55 O ATOM 555 CB HIS A 38 -4.379 2.602 3.923 1.00 70.44 C ATOM 556 CG HIS A 38 -4.575 2.080 5.333 1.00 55.33 C ATOM 557 ND1 HIS A 38 -4.291 2.815 6.452 1.00 44.35 N ATOM 558 CD2 HIS A 38 -4.985 0.875 5.780 1.00 54.13 C ATOM 559 CE1 HIS A 38 -4.517 2.095 7.525 1.00 43.13 C ATOM 560 NE2 HIS A 38 -4.939 0.908 7.148 1.00 22.43 N ATOM 0 H HIS A 38 -3.502 3.066 1.580 1.00 32.12 H new ATOM 0 HA HIS A 38 -2.633 3.829 4.183 1.00 14.12 H new ATOM 0 HB2 HIS A 38 -4.996 3.490 3.783 1.00 70.44 H new ATOM 0 HB3 HIS A 38 -4.732 1.853 3.214 1.00 70.44 H new ATOM 0 HD2 HIS A 38 -5.293 0.038 5.171 1.00 54.13 H new ATOM 0 HE1 HIS A 38 -4.380 2.422 8.545 1.00 43.13 H new ATOM 0 HE2 HIS A 38 -5.190 0.140 7.771 1.00 22.43 H new ATOM 569 N VAL A 39 -1.905 0.797 3.148 1.00 10.53 N ATOM 570 CA VAL A 39 -1.053 -0.335 3.421 1.00 72.34 C ATOM 571 C VAL A 39 0.402 0.077 3.438 1.00 33.43 C ATOM 572 O VAL A 39 1.217 -0.508 4.159 1.00 31.20 O ATOM 573 CB VAL A 39 -1.307 -1.509 2.481 1.00 34.42 C ATOM 574 CG1 VAL A 39 -2.718 -2.020 2.709 1.00 60.23 C ATOM 575 CG2 VAL A 39 -1.139 -1.094 1.056 1.00 71.20 C ATOM 0 H VAL A 39 -2.414 0.743 2.266 1.00 10.53 H new ATOM 0 HA VAL A 39 -1.310 -0.695 4.417 1.00 72.34 H new ATOM 0 HB VAL A 39 -0.585 -2.298 2.689 1.00 34.42 H new ATOM 0 HG11 VAL A 39 -2.913 -2.860 2.043 1.00 60.23 H new ATOM 0 HG12 VAL A 39 -2.824 -2.345 3.744 1.00 60.23 H new ATOM 0 HG13 VAL A 39 -3.432 -1.222 2.505 1.00 60.23 H new ATOM 0 HG21 VAL A 39 -1.325 -1.948 0.404 1.00 71.20 H new ATOM 0 HG22 VAL A 39 -1.847 -0.298 0.823 1.00 71.20 H new ATOM 0 HG23 VAL A 39 -0.123 -0.733 0.900 1.00 71.20 H new ATOM 585 N TYR A 40 0.719 1.087 2.633 1.00 51.13 N ATOM 586 CA TYR A 40 2.051 1.647 2.610 1.00 72.00 C ATOM 587 C TYR A 40 2.355 2.439 3.899 1.00 73.02 C ATOM 588 O TYR A 40 3.374 2.161 4.553 1.00 23.23 O ATOM 589 CB TYR A 40 2.221 2.548 1.373 1.00 55.45 C ATOM 590 CG TYR A 40 3.544 3.276 1.312 1.00 64.21 C ATOM 591 CD1 TYR A 40 4.709 2.611 0.966 1.00 63.01 C ATOM 592 CD2 TYR A 40 3.627 4.631 1.617 1.00 2.41 C ATOM 593 CE1 TYR A 40 5.917 3.269 0.923 1.00 54.32 C ATOM 594 CE2 TYR A 40 4.832 5.293 1.579 1.00 3.34 C ATOM 595 CZ TYR A 40 5.971 4.609 1.230 1.00 35.23 C ATOM 596 OH TYR A 40 7.173 5.266 1.199 1.00 72.24 O ATOM 0 H TYR A 40 0.064 1.530 1.989 1.00 51.13 H new ATOM 0 HA TYR A 40 2.763 0.823 2.555 1.00 72.00 H new ATOM 0 HB2 TYR A 40 2.113 1.938 0.476 1.00 55.45 H new ATOM 0 HB3 TYR A 40 1.415 3.281 1.358 1.00 55.45 H new ATOM 0 HD1 TYR A 40 4.669 1.559 0.726 1.00 63.01 H new ATOM 0 HD2 TYR A 40 2.732 5.171 1.888 1.00 2.41 H new ATOM 0 HE1 TYR A 40 6.816 2.737 0.650 1.00 54.32 H new ATOM 0 HE2 TYR A 40 4.882 6.344 1.822 1.00 3.34 H new ATOM 0 HH TYR A 40 7.038 6.206 1.440 1.00 72.24 H new ATOM 870 N LEU A 58 -1.877 6.329 -10.040 1.00 25.44 N ATOM 871 CA LEU A 58 -2.896 5.562 -9.353 1.00 10.55 C ATOM 872 C LEU A 58 -3.450 4.507 -10.268 1.00 2.01 C ATOM 873 O LEU A 58 -4.348 4.771 -11.064 1.00 63.12 O ATOM 874 CB LEU A 58 -4.053 6.442 -8.838 1.00 32.53 C ATOM 875 CG LEU A 58 -3.732 7.437 -7.728 1.00 75.33 C ATOM 876 CD1 LEU A 58 -4.953 8.264 -7.389 1.00 44.31 C ATOM 877 CD2 LEU A 58 -3.244 6.708 -6.490 1.00 51.32 C ATOM 0 HA LEU A 58 -2.417 5.103 -8.488 1.00 10.55 H new ATOM 0 HB2 LEU A 58 -4.456 6.998 -9.684 1.00 32.53 H new ATOM 0 HB3 LEU A 58 -4.846 5.784 -8.482 1.00 32.53 H new ATOM 0 HG LEU A 58 -2.944 8.101 -8.082 1.00 75.33 H new ATOM 0 HD11 LEU A 58 -4.706 8.969 -6.595 1.00 44.31 H new ATOM 0 HD12 LEU A 58 -5.278 8.813 -8.273 1.00 44.31 H new ATOM 0 HD13 LEU A 58 -5.756 7.607 -7.054 1.00 44.31 H new ATOM 0 HD21 LEU A 58 -3.019 7.432 -5.707 1.00 51.32 H new ATOM 0 HD22 LEU A 58 -4.018 6.025 -6.141 1.00 51.32 H new ATOM 0 HD23 LEU A 58 -2.344 6.143 -6.732 1.00 51.32 H new ATOM 889 N ARG A 59 -2.879 3.343 -10.215 1.00 13.44 N ATOM 890 CA ARG A 59 -3.365 2.238 -10.980 1.00 34.32 C ATOM 891 C ARG A 59 -3.153 0.945 -10.251 1.00 22.12 C ATOM 892 O ARG A 59 -2.158 0.771 -9.543 1.00 13.22 O ATOM 893 CB ARG A 59 -2.834 2.224 -12.419 1.00 23.01 C ATOM 894 CG ARG A 59 -1.336 2.294 -12.562 1.00 72.24 C ATOM 895 CD ARG A 59 -0.948 2.288 -14.021 1.00 45.13 C ATOM 896 NE ARG A 59 0.501 2.342 -14.217 1.00 52.13 N ATOM 897 CZ ARG A 59 1.127 1.948 -15.333 1.00 25.53 C ATOM 898 NH1 ARG A 59 0.430 1.446 -16.354 1.00 24.10 N ATOM 899 NH2 ARG A 59 2.446 2.042 -15.425 1.00 71.41 N ATOM 0 H ARG A 59 -2.063 3.133 -9.640 1.00 13.44 H new ATOM 0 HA ARG A 59 -4.442 2.366 -11.088 1.00 34.32 H new ATOM 0 HB2 ARG A 59 -3.185 1.315 -12.908 1.00 23.01 H new ATOM 0 HB3 ARG A 59 -3.272 3.065 -12.957 1.00 23.01 H new ATOM 0 HG2 ARG A 59 -0.960 3.198 -12.082 1.00 72.24 H new ATOM 0 HG3 ARG A 59 -0.875 1.448 -12.053 1.00 72.24 H new ATOM 0 HD2 ARG A 59 -1.342 1.389 -14.494 1.00 45.13 H new ATOM 0 HD3 ARG A 59 -1.411 3.140 -14.520 1.00 45.13 H new ATOM 0 HE ARG A 59 1.072 2.704 -13.453 1.00 52.13 H new ATOM 0 HH11 ARG A 59 -0.584 1.361 -16.286 1.00 24.10 H new ATOM 0 HH12 ARG A 59 0.911 1.147 -17.202 1.00 24.10 H new ATOM 0 HH21 ARG A 59 2.986 2.415 -14.645 1.00 71.41 H new ATOM 0 HH22 ARG A 59 2.921 1.741 -16.276 1.00 71.41 H new ATOM 913 N LEU A 60 -4.087 0.057 -10.396 1.00 51.04 N ATOM 914 CA LEU A 60 -4.063 -1.177 -9.675 1.00 53.31 C ATOM 915 C LEU A 60 -3.875 -2.351 -10.598 1.00 61.54 C ATOM 916 O LEU A 60 -4.370 -2.359 -11.731 1.00 64.30 O ATOM 917 CB LEU A 60 -5.344 -1.299 -8.818 1.00 13.44 C ATOM 918 CG LEU A 60 -6.696 -1.228 -9.555 1.00 2.00 C ATOM 919 CD1 LEU A 60 -7.059 -2.526 -10.264 1.00 25.33 C ATOM 920 CD2 LEU A 60 -7.793 -0.773 -8.643 1.00 32.23 C ATOM 0 H LEU A 60 -4.888 0.168 -11.018 1.00 51.04 H new ATOM 0 HA LEU A 60 -3.204 -1.182 -9.004 1.00 53.31 H new ATOM 0 HB2 LEU A 60 -5.302 -2.247 -8.281 1.00 13.44 H new ATOM 0 HB3 LEU A 60 -5.326 -0.507 -8.069 1.00 13.44 H new ATOM 0 HG LEU A 60 -6.578 -0.479 -10.338 1.00 2.00 H new ATOM 0 HD11 LEU A 60 -8.021 -2.411 -10.763 1.00 25.33 H new ATOM 0 HD12 LEU A 60 -6.293 -2.764 -11.002 1.00 25.33 H new ATOM 0 HD13 LEU A 60 -7.123 -3.333 -9.535 1.00 25.33 H new ATOM 0 HD21 LEU A 60 -8.732 -0.734 -9.195 1.00 32.23 H new ATOM 0 HD22 LEU A 60 -7.889 -1.472 -7.812 1.00 32.23 H new ATOM 0 HD23 LEU A 60 -7.558 0.219 -8.257 1.00 32.23 H new ATOM 932 N ILE A 61 -3.157 -3.312 -10.128 1.00 21.32 N ATOM 933 CA ILE A 61 -2.924 -4.524 -10.837 1.00 33.52 C ATOM 934 C ILE A 61 -3.673 -5.631 -10.143 1.00 12.02 C ATOM 935 O ILE A 61 -3.475 -5.883 -8.951 1.00 40.13 O ATOM 936 CB ILE A 61 -1.421 -4.866 -10.850 1.00 65.23 C ATOM 937 CG1 ILE A 61 -0.632 -3.782 -11.559 1.00 62.41 C ATOM 938 CG2 ILE A 61 -1.158 -6.225 -11.485 1.00 42.43 C ATOM 939 CD1 ILE A 61 0.870 -3.965 -11.490 1.00 55.14 C ATOM 0 H ILE A 61 -2.703 -3.276 -9.215 1.00 21.32 H new ATOM 0 HA ILE A 61 -3.264 -4.410 -11.866 1.00 33.52 H new ATOM 0 HB ILE A 61 -1.087 -4.918 -9.814 1.00 65.23 H new ATOM 0 HG12 ILE A 61 -0.936 -3.752 -12.605 1.00 62.41 H new ATOM 0 HG13 ILE A 61 -0.890 -2.816 -11.124 1.00 62.41 H new ATOM 0 HG21 ILE A 61 -0.087 -6.430 -11.475 1.00 42.43 H new ATOM 0 HG22 ILE A 61 -1.680 -6.997 -10.921 1.00 42.43 H new ATOM 0 HG23 ILE A 61 -1.518 -6.222 -12.514 1.00 42.43 H new ATOM 0 HD11 ILE A 61 1.361 -3.149 -12.021 1.00 55.14 H new ATOM 0 HD12 ILE A 61 1.189 -3.964 -10.448 1.00 55.14 H new ATOM 0 HD13 ILE A 61 1.143 -4.914 -11.952 1.00 55.14 H new ATOM 951 N TYR A 62 -4.492 -6.307 -10.864 1.00 35.55 N ATOM 952 CA TYR A 62 -5.237 -7.381 -10.313 1.00 51.40 C ATOM 953 C TYR A 62 -4.543 -8.639 -10.715 1.00 33.21 C ATOM 954 O TYR A 62 -4.726 -9.159 -11.830 1.00 72.00 O ATOM 955 CB TYR A 62 -6.694 -7.328 -10.787 1.00 32.10 C ATOM 956 CG TYR A 62 -7.612 -8.437 -10.293 1.00 1.14 C ATOM 957 CD1 TYR A 62 -7.637 -8.825 -8.961 1.00 32.21 C ATOM 958 CD2 TYR A 62 -8.462 -9.089 -11.176 1.00 72.44 C ATOM 959 CE1 TYR A 62 -8.482 -9.830 -8.530 1.00 43.13 C ATOM 960 CE2 TYR A 62 -9.306 -10.085 -10.754 1.00 3.32 C ATOM 961 CZ TYR A 62 -9.314 -10.455 -9.435 1.00 74.35 C ATOM 962 OH TYR A 62 -10.159 -11.459 -9.020 1.00 63.52 O ATOM 0 H TYR A 62 -4.665 -6.132 -11.854 1.00 35.55 H new ATOM 0 HA TYR A 62 -5.282 -7.323 -9.225 1.00 51.40 H new ATOM 0 HB2 TYR A 62 -7.118 -6.372 -10.479 1.00 32.10 H new ATOM 0 HB3 TYR A 62 -6.698 -7.342 -11.877 1.00 32.10 H new ATOM 0 HD1 TYR A 62 -6.987 -8.335 -8.251 1.00 32.21 H new ATOM 0 HD2 TYR A 62 -8.459 -8.806 -12.218 1.00 72.44 H new ATOM 0 HE1 TYR A 62 -8.491 -10.124 -7.491 1.00 43.13 H new ATOM 0 HE2 TYR A 62 -9.961 -10.575 -11.459 1.00 3.32 H new ATOM 0 HH TYR A 62 -11.089 -11.165 -9.116 1.00 63.52 H new ATOM 972 N GLN A 63 -3.656 -9.047 -9.814 1.00 20.24 N ATOM 973 CA GLN A 63 -2.783 -10.136 -9.915 1.00 41.42 C ATOM 974 C GLN A 63 -1.731 -9.941 -11.039 1.00 50.10 C ATOM 975 O GLN A 63 -0.544 -9.778 -10.756 1.00 45.42 O ATOM 976 CB GLN A 63 -3.513 -11.437 -10.028 1.00 22.44 C ATOM 977 CG GLN A 63 -2.588 -12.554 -9.829 1.00 3.41 C ATOM 978 CD GLN A 63 -3.212 -13.901 -10.143 1.00 14.40 C ATOM 979 OE1 GLN A 63 -4.419 -14.098 -9.988 1.00 20.51 O ATOM 980 NE2 GLN A 63 -2.417 -14.820 -10.592 1.00 21.40 N ATOM 0 H GLN A 63 -3.546 -8.557 -8.926 1.00 20.24 H new ATOM 0 HA GLN A 63 -2.225 -10.180 -8.980 1.00 41.42 H new ATOM 0 HB2 GLN A 63 -4.311 -11.480 -9.287 1.00 22.44 H new ATOM 0 HB3 GLN A 63 -3.983 -11.515 -11.008 1.00 22.44 H new ATOM 0 HG2 GLN A 63 -1.711 -12.410 -10.460 1.00 3.41 H new ATOM 0 HG3 GLN A 63 -2.241 -12.552 -8.796 1.00 3.41 H new ATOM 0 HE21 GLN A 63 -1.423 -14.622 -10.708 1.00 21.40 H new ATOM 0 HE22 GLN A 63 -2.785 -15.741 -10.830 1.00 21.40 H new ATOM 989 N GLY A 64 -2.169 -9.928 -12.281 1.00 11.43 N ATOM 990 CA GLY A 64 -1.248 -9.784 -13.385 1.00 23.13 C ATOM 991 C GLY A 64 -1.371 -8.464 -14.129 1.00 11.11 C ATOM 992 O GLY A 64 -0.368 -7.814 -14.408 1.00 23.25 O ATOM 0 H GLY A 64 -3.150 -10.015 -12.548 1.00 11.43 H new ATOM 0 HA2 GLY A 64 -0.230 -9.883 -13.010 1.00 23.13 H new ATOM 0 HA3 GLY A 64 -1.410 -10.601 -14.088 1.00 23.13 H new ATOM 996 N ARG A 65 -2.584 -8.048 -14.420 1.00 32.54 N ATOM 997 CA ARG A 65 -2.800 -6.847 -15.234 1.00 55.10 C ATOM 998 C ARG A 65 -3.528 -5.700 -14.532 1.00 32.52 C ATOM 999 O ARG A 65 -4.238 -5.907 -13.537 1.00 52.22 O ATOM 1000 CB ARG A 65 -3.422 -7.185 -16.603 1.00 51.42 C ATOM 1001 CG ARG A 65 -4.524 -8.255 -16.621 1.00 74.42 C ATOM 1002 CD ARG A 65 -5.699 -7.967 -15.697 1.00 2.21 C ATOM 1003 NE ARG A 65 -6.751 -8.978 -15.872 1.00 21.22 N ATOM 1004 CZ ARG A 65 -7.185 -9.855 -14.948 1.00 43.15 C ATOM 1005 NH1 ARG A 65 -6.638 -9.901 -13.737 1.00 53.34 N ATOM 1006 NH2 ARG A 65 -8.153 -10.703 -15.253 1.00 63.03 N ATOM 0 H ARG A 65 -3.438 -8.513 -14.113 1.00 32.54 H new ATOM 0 HA ARG A 65 -1.798 -6.453 -15.406 1.00 55.10 H new ATOM 0 HB2 ARG A 65 -3.833 -6.268 -17.025 1.00 51.42 H new ATOM 0 HB3 ARG A 65 -2.622 -7.511 -17.268 1.00 51.42 H new ATOM 0 HG2 ARG A 65 -4.896 -8.358 -17.640 1.00 74.42 H new ATOM 0 HG3 ARG A 65 -4.086 -9.214 -16.343 1.00 74.42 H new ATOM 0 HD2 ARG A 65 -5.361 -7.961 -14.661 1.00 2.21 H new ATOM 0 HD3 ARG A 65 -6.100 -6.976 -15.908 1.00 2.21 H new ATOM 0 HE ARG A 65 -7.198 -9.019 -16.788 1.00 21.22 H new ATOM 0 HH11 ARG A 65 -5.877 -9.265 -13.496 1.00 53.34 H new ATOM 0 HH12 ARG A 65 -6.979 -10.572 -13.049 1.00 53.34 H new ATOM 0 HH21 ARG A 65 -8.567 -10.690 -16.185 1.00 63.03 H new ATOM 0 HH22 ARG A 65 -8.485 -11.370 -14.556 1.00 63.03 H new ATOM 1020 N PHE A 66 -3.349 -4.493 -15.076 1.00 23.04 N ATOM 1021 CA PHE A 66 -3.942 -3.268 -14.534 1.00 62.21 C ATOM 1022 C PHE A 66 -5.396 -3.183 -14.984 1.00 52.40 C ATOM 1023 O PHE A 66 -5.666 -3.050 -16.173 1.00 10.34 O ATOM 1024 CB PHE A 66 -3.199 -2.016 -15.070 1.00 40.43 C ATOM 1025 CG PHE A 66 -1.702 -1.960 -14.826 1.00 32.21 C ATOM 1026 CD1 PHE A 66 -0.823 -2.597 -15.688 1.00 4.40 C ATOM 1027 CD2 PHE A 66 -1.172 -1.247 -13.759 1.00 23.35 C ATOM 1028 CE1 PHE A 66 0.541 -2.527 -15.492 1.00 44.41 C ATOM 1029 CE2 PHE A 66 0.195 -1.179 -13.563 1.00 2.31 C ATOM 1030 CZ PHE A 66 1.050 -1.820 -14.432 1.00 25.51 C ATOM 0 H PHE A 66 -2.784 -4.338 -15.911 1.00 23.04 H new ATOM 0 HA PHE A 66 -3.867 -3.297 -13.447 1.00 62.21 H new ATOM 0 HB2 PHE A 66 -3.372 -1.951 -16.144 1.00 40.43 H new ATOM 0 HB3 PHE A 66 -3.651 -1.132 -14.620 1.00 40.43 H new ATOM 0 HD1 PHE A 66 -1.212 -3.157 -16.526 1.00 4.40 H new ATOM 0 HD2 PHE A 66 -1.835 -0.740 -13.074 1.00 23.35 H new ATOM 0 HE1 PHE A 66 1.210 -3.030 -16.175 1.00 44.41 H new ATOM 0 HE2 PHE A 66 0.593 -0.622 -12.727 1.00 2.31 H new ATOM 0 HZ PHE A 66 2.118 -1.766 -14.279 1.00 25.51 H new ATOM 1040 N LEU A 67 -6.330 -3.284 -14.061 1.00 71.33 N ATOM 1041 CA LEU A 67 -7.751 -3.225 -14.446 1.00 25.43 C ATOM 1042 C LEU A 67 -8.268 -1.813 -14.643 1.00 11.52 C ATOM 1043 O LEU A 67 -8.889 -1.509 -15.663 1.00 51.11 O ATOM 1044 CB LEU A 67 -8.651 -3.929 -13.446 1.00 30.24 C ATOM 1045 CG LEU A 67 -8.513 -5.430 -13.310 1.00 44.55 C ATOM 1046 CD1 LEU A 67 -9.475 -5.908 -12.257 1.00 13.31 C ATOM 1047 CD2 LEU A 67 -8.802 -6.124 -14.633 1.00 65.33 C ATOM 0 H LEU A 67 -6.154 -3.404 -13.064 1.00 71.33 H new ATOM 0 HA LEU A 67 -7.788 -3.743 -15.404 1.00 25.43 H new ATOM 0 HB2 LEU A 67 -8.474 -3.486 -12.466 1.00 30.24 H new ATOM 0 HB3 LEU A 67 -9.685 -3.710 -13.713 1.00 30.24 H new ATOM 0 HG LEU A 67 -7.490 -5.672 -13.022 1.00 44.55 H new ATOM 0 HD11 LEU A 67 -9.387 -6.989 -12.148 1.00 13.31 H new ATOM 0 HD12 LEU A 67 -9.243 -5.427 -11.307 1.00 13.31 H new ATOM 0 HD13 LEU A 67 -10.493 -5.655 -12.553 1.00 13.31 H new ATOM 0 HD21 LEU A 67 -8.696 -7.202 -14.509 1.00 65.33 H new ATOM 0 HD22 LEU A 67 -9.819 -5.893 -14.950 1.00 65.33 H new ATOM 0 HD23 LEU A 67 -8.098 -5.775 -15.388 1.00 65.33 H new ATOM 1059 N HIS A 68 -7.994 -0.952 -13.683 1.00 75.23 N ATOM 1060 CA HIS A 68 -8.534 0.393 -13.673 1.00 72.22 C ATOM 1061 C HIS A 68 -7.792 1.158 -12.581 1.00 44.34 C ATOM 1062 O HIS A 68 -7.093 0.546 -11.791 1.00 64.11 O ATOM 1063 CB HIS A 68 -10.063 0.299 -13.369 1.00 52.15 C ATOM 1064 CG HIS A 68 -10.859 1.566 -13.492 1.00 4.44 C ATOM 1065 ND1 HIS A 68 -11.669 2.058 -12.488 1.00 12.31 N ATOM 1066 CD2 HIS A 68 -11.014 2.405 -14.528 1.00 52.30 C ATOM 1067 CE1 HIS A 68 -12.273 3.146 -12.916 1.00 1.54 C ATOM 1068 NE2 HIS A 68 -11.891 3.371 -14.145 1.00 15.35 N ATOM 0 H HIS A 68 -7.391 -1.165 -12.888 1.00 75.23 H new ATOM 0 HA HIS A 68 -8.407 0.907 -14.626 1.00 72.22 H new ATOM 0 HB2 HIS A 68 -10.498 -0.441 -14.041 1.00 52.15 H new ATOM 0 HB3 HIS A 68 -10.185 -0.081 -12.355 1.00 52.15 H new ATOM 0 HD2 HIS A 68 -10.530 2.327 -15.490 1.00 52.30 H new ATOM 0 HE1 HIS A 68 -12.966 3.750 -12.349 1.00 1.54 H new ATOM 0 HE2 HIS A 68 -12.202 4.149 -14.726 1.00 15.35 H new ATOM 1077 N GLY A 69 -7.913 2.451 -12.543 1.00 35.01 N ATOM 1078 CA GLY A 69 -7.206 3.238 -11.548 1.00 55.21 C ATOM 1079 C GLY A 69 -7.913 3.370 -10.199 1.00 34.42 C ATOM 1080 O GLY A 69 -7.369 3.977 -9.279 1.00 23.12 O ATOM 0 H GLY A 69 -8.492 2.994 -13.184 1.00 35.01 H new ATOM 0 HA2 GLY A 69 -6.226 2.791 -11.384 1.00 55.21 H new ATOM 0 HA3 GLY A 69 -7.037 4.237 -11.951 1.00 55.21 H new ATOM 1084 N ASN A 70 -9.094 2.780 -10.049 1.00 62.32 N ATOM 1085 CA ASN A 70 -9.919 3.066 -8.866 1.00 11.35 C ATOM 1086 C ASN A 70 -11.068 2.058 -8.779 1.00 70.05 C ATOM 1087 O ASN A 70 -12.119 2.339 -8.231 1.00 42.22 O ATOM 1088 CB ASN A 70 -10.504 4.494 -9.009 1.00 42.04 C ATOM 1089 CG ASN A 70 -11.122 5.034 -7.723 1.00 31.03 C ATOM 1090 OD1 ASN A 70 -10.674 4.717 -6.627 1.00 3.42 O ATOM 1091 ND2 ASN A 70 -12.146 5.845 -7.849 1.00 5.54 N ATOM 0 H ASN A 70 -9.500 2.117 -10.709 1.00 62.32 H new ATOM 0 HA ASN A 70 -9.311 2.993 -7.965 1.00 11.35 H new ATOM 0 HB2 ASN A 70 -9.713 5.170 -9.334 1.00 42.04 H new ATOM 0 HB3 ASN A 70 -11.262 4.490 -9.792 1.00 42.04 H new ATOM 0 HD21 ASN A 70 -12.595 6.233 -7.019 1.00 5.54 H new ATOM 0 HD22 ASN A 70 -12.493 6.088 -8.777 1.00 5.54 H new ATOM 1098 N VAL A 71 -10.854 0.870 -9.295 1.00 33.24 N ATOM 1099 CA VAL A 71 -11.907 -0.123 -9.270 1.00 13.43 C ATOM 1100 C VAL A 71 -11.881 -0.867 -7.922 1.00 12.04 C ATOM 1101 O VAL A 71 -10.806 -1.160 -7.382 1.00 71.10 O ATOM 1102 CB VAL A 71 -11.856 -1.090 -10.513 1.00 75.41 C ATOM 1103 CG1 VAL A 71 -10.585 -1.880 -10.593 1.00 54.34 C ATOM 1104 CG2 VAL A 71 -13.043 -2.005 -10.568 1.00 4.51 C ATOM 0 H VAL A 71 -9.981 0.570 -9.729 1.00 33.24 H new ATOM 0 HA VAL A 71 -12.868 0.385 -9.356 1.00 13.43 H new ATOM 0 HB VAL A 71 -11.886 -0.437 -11.385 1.00 75.41 H new ATOM 0 HG11 VAL A 71 -10.613 -2.526 -11.470 1.00 54.34 H new ATOM 0 HG12 VAL A 71 -9.738 -1.199 -10.671 1.00 54.34 H new ATOM 0 HG13 VAL A 71 -10.479 -2.490 -9.696 1.00 54.34 H new ATOM 0 HG21 VAL A 71 -12.963 -2.652 -11.441 1.00 4.51 H new ATOM 0 HG22 VAL A 71 -13.074 -2.615 -9.666 1.00 4.51 H new ATOM 0 HG23 VAL A 71 -13.956 -1.413 -10.637 1.00 4.51 H new ATOM 1114 N THR A 72 -13.040 -1.101 -7.369 1.00 52.43 N ATOM 1115 CA THR A 72 -13.165 -1.712 -6.069 1.00 62.43 C ATOM 1116 C THR A 72 -12.996 -3.228 -6.122 1.00 22.44 C ATOM 1117 O THR A 72 -13.157 -3.849 -7.178 1.00 61.01 O ATOM 1118 CB THR A 72 -14.519 -1.349 -5.424 1.00 2.41 C ATOM 1119 OG1 THR A 72 -15.593 -1.699 -6.316 1.00 10.44 O ATOM 1120 CG2 THR A 72 -14.586 0.140 -5.104 1.00 75.42 C ATOM 0 H THR A 72 -13.931 -0.872 -7.809 1.00 52.43 H new ATOM 0 HA THR A 72 -12.358 -1.315 -5.454 1.00 62.43 H new ATOM 0 HB THR A 72 -14.617 -1.909 -4.494 1.00 2.41 H new ATOM 0 HG1 THR A 72 -16.451 -1.468 -5.902 1.00 10.44 H new ATOM 0 HG21 THR A 72 -15.550 0.372 -4.650 1.00 75.42 H new ATOM 0 HG22 THR A 72 -13.786 0.399 -4.410 1.00 75.42 H new ATOM 0 HG23 THR A 72 -14.470 0.715 -6.023 1.00 75.42 H new ATOM 1128 N LEU A 73 -12.679 -3.812 -4.978 1.00 71.45 N ATOM 1129 CA LEU A 73 -12.469 -5.241 -4.839 1.00 64.44 C ATOM 1130 C LEU A 73 -13.713 -6.041 -5.236 1.00 34.52 C ATOM 1131 O LEU A 73 -13.612 -7.055 -5.902 1.00 50.51 O ATOM 1132 CB LEU A 73 -12.055 -5.572 -3.401 1.00 72.33 C ATOM 1133 CG LEU A 73 -10.664 -5.117 -2.924 1.00 23.12 C ATOM 1134 CD1 LEU A 73 -9.591 -5.687 -3.794 1.00 22.44 C ATOM 1135 CD2 LEU A 73 -10.541 -3.606 -2.815 1.00 2.12 C ATOM 0 H LEU A 73 -12.559 -3.296 -4.106 1.00 71.45 H new ATOM 0 HA LEU A 73 -11.668 -5.529 -5.519 1.00 64.44 H new ATOM 0 HB2 LEU A 73 -12.796 -5.135 -2.732 1.00 72.33 H new ATOM 0 HB3 LEU A 73 -12.112 -6.654 -3.278 1.00 72.33 H new ATOM 0 HG LEU A 73 -10.535 -5.507 -1.914 1.00 23.12 H new ATOM 0 HD11 LEU A 73 -8.617 -5.352 -3.438 1.00 22.44 H new ATOM 0 HD12 LEU A 73 -9.635 -6.776 -3.760 1.00 22.44 H new ATOM 0 HD13 LEU A 73 -9.737 -5.350 -4.820 1.00 22.44 H new ATOM 0 HD21 LEU A 73 -9.539 -3.346 -2.474 1.00 2.12 H new ATOM 0 HD22 LEU A 73 -10.721 -3.155 -3.791 1.00 2.12 H new ATOM 0 HD23 LEU A 73 -11.275 -3.232 -2.101 1.00 2.12 H new ATOM 1147 N GLY A 74 -14.879 -5.565 -4.838 1.00 63.01 N ATOM 1148 CA GLY A 74 -16.128 -6.223 -5.193 1.00 22.45 C ATOM 1149 C GLY A 74 -16.339 -6.302 -6.697 1.00 21.22 C ATOM 1150 O GLY A 74 -16.950 -7.247 -7.201 1.00 4.21 O ATOM 0 H GLY A 74 -14.989 -4.726 -4.269 1.00 63.01 H new ATOM 0 HA2 GLY A 74 -16.136 -7.230 -4.775 1.00 22.45 H new ATOM 0 HA3 GLY A 74 -16.960 -5.684 -4.741 1.00 22.45 H new ATOM 1154 N ALA A 75 -15.801 -5.328 -7.404 1.00 13.14 N ATOM 1155 CA ALA A 75 -15.899 -5.256 -8.848 1.00 13.22 C ATOM 1156 C ALA A 75 -14.917 -6.223 -9.510 1.00 21.32 C ATOM 1157 O ALA A 75 -15.019 -6.513 -10.705 1.00 42.32 O ATOM 1158 CB ALA A 75 -15.660 -3.837 -9.325 1.00 60.30 C ATOM 0 H ALA A 75 -15.279 -4.557 -6.988 1.00 13.14 H new ATOM 0 HA ALA A 75 -16.908 -5.551 -9.137 1.00 13.22 H new ATOM 0 HB1 ALA A 75 -15.737 -3.801 -10.412 1.00 60.30 H new ATOM 0 HB2 ALA A 75 -16.406 -3.175 -8.886 1.00 60.30 H new ATOM 0 HB3 ALA A 75 -14.664 -3.514 -9.021 1.00 60.30 H new ATOM 1164 N LEU A 76 -13.957 -6.711 -8.735 1.00 24.12 N ATOM 1165 CA LEU A 76 -12.941 -7.630 -9.234 1.00 64.12 C ATOM 1166 C LEU A 76 -13.470 -9.063 -9.228 1.00 41.04 C ATOM 1167 O LEU A 76 -12.737 -10.004 -9.542 1.00 70.03 O ATOM 1168 CB LEU A 76 -11.711 -7.578 -8.345 1.00 42.12 C ATOM 1169 CG LEU A 76 -11.132 -6.209 -8.042 1.00 44.22 C ATOM 1170 CD1 LEU A 76 -9.913 -6.357 -7.209 1.00 14.12 C ATOM 1171 CD2 LEU A 76 -10.819 -5.456 -9.288 1.00 31.51 C ATOM 0 H LEU A 76 -13.860 -6.482 -7.746 1.00 24.12 H new ATOM 0 HA LEU A 76 -12.686 -7.331 -10.251 1.00 64.12 H new ATOM 0 HB2 LEU A 76 -11.958 -8.057 -7.398 1.00 42.12 H new ATOM 0 HB3 LEU A 76 -10.931 -8.179 -8.812 1.00 42.12 H new ATOM 0 HG LEU A 76 -11.881 -5.637 -7.495 1.00 44.22 H new ATOM 0 HD11 LEU A 76 -9.499 -5.372 -6.992 1.00 14.12 H new ATOM 0 HD12 LEU A 76 -10.169 -6.856 -6.275 1.00 14.12 H new ATOM 0 HD13 LEU A 76 -9.174 -6.951 -7.747 1.00 14.12 H new ATOM 0 HD21 LEU A 76 -10.406 -4.481 -9.030 1.00 31.51 H new ATOM 0 HD22 LEU A 76 -10.091 -6.014 -9.877 1.00 31.51 H new ATOM 0 HD23 LEU A 76 -11.730 -5.322 -9.871 1.00 31.51 H new ATOM 1183 N LYS A 77 -14.758 -9.204 -8.891 1.00 61.11 N ATOM 1184 CA LYS A 77 -15.450 -10.494 -8.775 1.00 32.21 C ATOM 1185 C LYS A 77 -14.806 -11.315 -7.674 1.00 32.21 C ATOM 1186 O LYS A 77 -13.998 -12.218 -7.938 1.00 21.54 O ATOM 1187 CB LYS A 77 -15.495 -11.329 -10.101 1.00 10.44 C ATOM 1188 CG LYS A 77 -16.122 -10.650 -11.330 1.00 24.00 C ATOM 1189 CD LYS A 77 -15.234 -9.558 -11.918 1.00 32.14 C ATOM 1190 CE LYS A 77 -15.893 -8.888 -13.102 1.00 51.34 C ATOM 1191 NZ LYS A 77 -15.034 -7.840 -13.683 1.00 53.21 N ATOM 0 H LYS A 77 -15.361 -8.407 -8.687 1.00 61.11 H new ATOM 0 HA LYS A 77 -16.488 -10.260 -8.537 1.00 32.21 H new ATOM 0 HB2 LYS A 77 -14.475 -11.616 -10.356 1.00 10.44 H new ATOM 0 HB3 LYS A 77 -16.045 -12.249 -9.904 1.00 10.44 H new ATOM 0 HG2 LYS A 77 -16.320 -11.402 -12.094 1.00 24.00 H new ATOM 0 HG3 LYS A 77 -17.083 -10.219 -11.051 1.00 24.00 H new ATOM 0 HD2 LYS A 77 -15.015 -8.814 -11.152 1.00 32.14 H new ATOM 0 HD3 LYS A 77 -14.281 -9.988 -12.226 1.00 32.14 H new ATOM 0 HE2 LYS A 77 -16.121 -9.635 -13.862 1.00 51.34 H new ATOM 0 HE3 LYS A 77 -16.842 -8.450 -12.791 1.00 51.34 H new ATOM 0 HZ1 LYS A 77 -15.539 -7.368 -14.460 1.00 53.21 H new ATOM 0 HZ2 LYS A 77 -14.795 -7.141 -12.951 1.00 53.21 H new ATOM 0 HZ3 LYS A 77 -14.161 -8.270 -14.049 1.00 53.21 H new ATOM 1205 N LEU A 78 -15.110 -10.975 -6.444 1.00 70.35 N ATOM 1206 CA LEU A 78 -14.470 -11.617 -5.319 1.00 1.04 C ATOM 1207 C LEU A 78 -15.480 -12.068 -4.297 1.00 13.05 C ATOM 1208 O LEU A 78 -16.258 -11.254 -3.790 1.00 34.21 O ATOM 1209 CB LEU A 78 -13.506 -10.652 -4.624 1.00 61.22 C ATOM 1210 CG LEU A 78 -12.388 -10.052 -5.462 1.00 64.45 C ATOM 1211 CD1 LEU A 78 -11.565 -9.110 -4.617 1.00 34.04 C ATOM 1212 CD2 LEU A 78 -11.510 -11.134 -6.048 1.00 24.53 C ATOM 0 H LEU A 78 -15.794 -10.260 -6.196 1.00 70.35 H new ATOM 0 HA LEU A 78 -13.932 -12.479 -5.713 1.00 1.04 H new ATOM 0 HB2 LEU A 78 -14.092 -9.832 -4.208 1.00 61.22 H new ATOM 0 HB3 LEU A 78 -13.052 -11.177 -3.784 1.00 61.22 H new ATOM 0 HG LEU A 78 -12.834 -9.497 -6.287 1.00 64.45 H new ATOM 0 HD11 LEU A 78 -10.765 -8.683 -5.222 1.00 34.04 H new ATOM 0 HD12 LEU A 78 -12.201 -8.310 -4.239 1.00 34.04 H new ATOM 0 HD13 LEU A 78 -11.133 -9.656 -3.779 1.00 34.04 H new ATOM 0 HD21 LEU A 78 -10.719 -10.678 -6.643 1.00 24.53 H new ATOM 0 HD22 LEU A 78 -11.067 -11.719 -5.242 1.00 24.53 H new ATOM 0 HD23 LEU A 78 -12.111 -11.786 -6.682 1.00 24.53 H new ATOM 1224 N PRO A 79 -15.521 -13.361 -4.004 1.00 65.42 N ATOM 1225 CA PRO A 79 -16.297 -13.869 -2.899 1.00 75.03 C ATOM 1226 C PRO A 79 -15.570 -13.570 -1.574 1.00 35.10 C ATOM 1227 O PRO A 79 -14.338 -13.367 -1.549 1.00 51.51 O ATOM 1228 CB PRO A 79 -16.364 -15.376 -3.160 1.00 64.32 C ATOM 1229 CG PRO A 79 -15.166 -15.679 -3.984 1.00 32.42 C ATOM 1230 CD PRO A 79 -14.852 -14.426 -4.758 1.00 61.40 C ATOM 0 HA PRO A 79 -17.287 -13.420 -2.821 1.00 75.03 H new ATOM 0 HB2 PRO A 79 -16.353 -15.939 -2.227 1.00 64.32 H new ATOM 0 HB3 PRO A 79 -17.281 -15.645 -3.684 1.00 64.32 H new ATOM 0 HG2 PRO A 79 -14.324 -15.967 -3.354 1.00 32.42 H new ATOM 0 HG3 PRO A 79 -15.360 -16.513 -4.658 1.00 32.42 H new ATOM 0 HD2 PRO A 79 -13.777 -14.255 -4.820 1.00 61.40 H new ATOM 0 HD3 PRO A 79 -15.225 -14.485 -5.780 1.00 61.40 H new ATOM 1238 N PHE A 80 -16.305 -13.552 -0.505 1.00 64.12 N ATOM 1239 CA PHE A 80 -15.765 -13.193 0.791 1.00 63.53 C ATOM 1240 C PHE A 80 -15.004 -14.373 1.376 1.00 24.14 C ATOM 1241 O PHE A 80 -15.320 -15.541 1.089 1.00 65.24 O ATOM 1242 CB PHE A 80 -16.898 -12.847 1.765 1.00 13.24 C ATOM 1243 CG PHE A 80 -17.903 -11.865 1.252 1.00 61.31 C ATOM 1244 CD1 PHE A 80 -17.547 -10.569 0.965 1.00 12.12 C ATOM 1245 CD2 PHE A 80 -19.217 -12.251 1.070 1.00 53.00 C ATOM 1246 CE1 PHE A 80 -18.481 -9.672 0.500 1.00 22.21 C ATOM 1247 CE2 PHE A 80 -20.157 -11.359 0.604 1.00 71.31 C ATOM 1248 CZ PHE A 80 -19.788 -10.066 0.317 1.00 61.44 C ATOM 0 H PHE A 80 -17.298 -13.784 -0.495 1.00 64.12 H new ATOM 0 HA PHE A 80 -15.107 -12.334 0.656 1.00 63.53 H new ATOM 0 HB2 PHE A 80 -17.417 -13.767 2.034 1.00 13.24 H new ATOM 0 HB3 PHE A 80 -16.460 -12.449 2.680 1.00 13.24 H new ATOM 0 HD1 PHE A 80 -16.524 -10.252 1.106 1.00 12.12 H new ATOM 0 HD2 PHE A 80 -19.511 -13.265 1.296 1.00 53.00 H new ATOM 0 HE1 PHE A 80 -18.188 -8.656 0.278 1.00 22.21 H new ATOM 0 HE2 PHE A 80 -21.181 -11.674 0.464 1.00 71.31 H new ATOM 0 HZ PHE A 80 -20.520 -9.362 -0.050 1.00 61.44 H new ATOM 1258 N GLY A 81 -14.011 -14.082 2.176 1.00 11.42 N ATOM 1259 CA GLY A 81 -13.289 -15.124 2.876 1.00 12.40 C ATOM 1260 C GLY A 81 -12.073 -15.642 2.155 1.00 42.04 C ATOM 1261 O GLY A 81 -11.273 -16.374 2.749 1.00 52.12 O ATOM 0 H GLY A 81 -13.681 -13.135 2.362 1.00 11.42 H new ATOM 0 HA2 GLY A 81 -12.982 -14.743 3.850 1.00 12.40 H new ATOM 0 HA3 GLY A 81 -13.968 -15.957 3.059 1.00 12.40 H new ATOM 1265 N LYS A 82 -11.905 -15.295 0.904 1.00 25.44 N ATOM 1266 CA LYS A 82 -10.751 -15.779 0.196 1.00 3.32 C ATOM 1267 C LYS A 82 -9.712 -14.679 0.043 1.00 41.52 C ATOM 1268 O LYS A 82 -10.055 -13.484 0.065 1.00 42.24 O ATOM 1269 CB LYS A 82 -11.127 -16.503 -1.140 1.00 61.05 C ATOM 1270 CG LYS A 82 -11.710 -15.672 -2.302 1.00 21.42 C ATOM 1271 CD LYS A 82 -10.647 -14.777 -2.944 1.00 52.23 C ATOM 1272 CE LYS A 82 -11.097 -14.196 -4.262 1.00 51.11 C ATOM 1273 NZ LYS A 82 -11.268 -15.247 -5.299 1.00 60.34 N ATOM 0 H LYS A 82 -12.534 -14.696 0.368 1.00 25.44 H new ATOM 0 HA LYS A 82 -10.282 -16.558 0.798 1.00 3.32 H new ATOM 0 HB2 LYS A 82 -10.230 -17.000 -1.509 1.00 61.05 H new ATOM 0 HB3 LYS A 82 -11.848 -17.284 -0.899 1.00 61.05 H new ATOM 0 HG2 LYS A 82 -12.126 -16.341 -3.055 1.00 21.42 H new ATOM 0 HG3 LYS A 82 -12.531 -15.056 -1.934 1.00 21.42 H new ATOM 0 HD2 LYS A 82 -10.398 -13.966 -2.259 1.00 52.23 H new ATOM 0 HD3 LYS A 82 -9.736 -15.355 -3.098 1.00 52.23 H new ATOM 0 HE2 LYS A 82 -12.039 -13.666 -4.123 1.00 51.11 H new ATOM 0 HE3 LYS A 82 -10.367 -13.463 -4.604 1.00 51.11 H new ATOM 0 HZ1 LYS A 82 -11.292 -14.805 -6.240 1.00 60.34 H new ATOM 0 HZ2 LYS A 82 -10.473 -15.915 -5.250 1.00 60.34 H new ATOM 0 HZ3 LYS A 82 -12.159 -15.757 -5.133 1.00 60.34 H new ATOM 1287 N THR A 83 -8.476 -15.070 -0.095 1.00 65.11 N ATOM 1288 CA THR A 83 -7.386 -14.143 -0.197 1.00 34.43 C ATOM 1289 C THR A 83 -7.199 -13.677 -1.632 1.00 12.34 C ATOM 1290 O THR A 83 -6.926 -14.473 -2.534 1.00 43.22 O ATOM 1291 CB THR A 83 -6.082 -14.782 0.317 1.00 15.53 C ATOM 1292 OG1 THR A 83 -6.297 -15.269 1.651 1.00 43.12 O ATOM 1293 CG2 THR A 83 -4.945 -13.762 0.332 1.00 72.12 C ATOM 0 H THR A 83 -8.195 -16.050 -0.140 1.00 65.11 H new ATOM 0 HA THR A 83 -7.626 -13.278 0.421 1.00 34.43 H new ATOM 0 HB THR A 83 -5.805 -15.600 -0.348 1.00 15.53 H new ATOM 0 HG1 THR A 83 -5.473 -15.679 1.986 1.00 43.12 H new ATOM 0 HG21 THR A 83 -4.035 -14.237 0.699 1.00 72.12 H new ATOM 0 HG22 THR A 83 -4.778 -13.389 -0.678 1.00 72.12 H new ATOM 0 HG23 THR A 83 -5.210 -12.932 0.986 1.00 72.12 H new ATOM 1301 N THR A 84 -7.364 -12.409 -1.829 1.00 53.55 N ATOM 1302 CA THR A 84 -7.166 -11.803 -3.098 1.00 51.32 C ATOM 1303 C THR A 84 -5.854 -11.034 -3.063 1.00 34.14 C ATOM 1304 O THR A 84 -5.640 -10.205 -2.175 1.00 14.42 O ATOM 1305 CB THR A 84 -8.313 -10.839 -3.407 1.00 44.22 C ATOM 1306 OG1 THR A 84 -9.559 -11.548 -3.281 1.00 24.03 O ATOM 1307 CG2 THR A 84 -8.176 -10.285 -4.820 1.00 12.22 C ATOM 0 H THR A 84 -7.645 -11.757 -1.097 1.00 53.55 H new ATOM 0 HA THR A 84 -7.137 -12.570 -3.872 1.00 51.32 H new ATOM 0 HB THR A 84 -8.284 -10.005 -2.706 1.00 44.22 H new ATOM 0 HG1 THR A 84 -10.039 -11.227 -2.490 1.00 24.03 H new ATOM 0 HG21 THR A 84 -9.000 -9.601 -5.024 1.00 12.22 H new ATOM 0 HG22 THR A 84 -7.230 -9.751 -4.911 1.00 12.22 H new ATOM 0 HG23 THR A 84 -8.200 -11.106 -5.537 1.00 12.22 H new ATOM 1315 N VAL A 85 -4.981 -11.317 -3.986 1.00 33.42 N ATOM 1316 CA VAL A 85 -3.708 -10.662 -4.021 1.00 54.43 C ATOM 1317 C VAL A 85 -3.632 -9.683 -5.202 1.00 44.05 C ATOM 1318 O VAL A 85 -3.834 -10.053 -6.367 1.00 25.01 O ATOM 1319 CB VAL A 85 -2.530 -11.689 -4.034 1.00 25.43 C ATOM 1320 CG1 VAL A 85 -2.567 -12.601 -5.257 1.00 53.01 C ATOM 1321 CG2 VAL A 85 -1.197 -10.986 -3.918 1.00 53.25 C ATOM 0 H VAL A 85 -5.130 -12.001 -4.728 1.00 33.42 H new ATOM 0 HA VAL A 85 -3.604 -10.081 -3.105 1.00 54.43 H new ATOM 0 HB VAL A 85 -2.657 -12.329 -3.161 1.00 25.43 H new ATOM 0 HG11 VAL A 85 -1.728 -13.296 -5.218 1.00 53.01 H new ATOM 0 HG12 VAL A 85 -3.502 -13.161 -5.265 1.00 53.01 H new ATOM 0 HG13 VAL A 85 -2.498 -11.998 -6.163 1.00 53.01 H new ATOM 0 HG21 VAL A 85 -0.394 -11.724 -3.929 1.00 53.25 H new ATOM 0 HG22 VAL A 85 -1.073 -10.301 -4.757 1.00 53.25 H new ATOM 0 HG23 VAL A 85 -1.161 -10.426 -2.984 1.00 53.25 H new ATOM 1331 N MET A 86 -3.376 -8.438 -4.903 1.00 22.13 N ATOM 1332 CA MET A 86 -3.284 -7.432 -5.922 1.00 21.40 C ATOM 1333 C MET A 86 -1.963 -6.766 -5.855 1.00 32.55 C ATOM 1334 O MET A 86 -1.373 -6.654 -4.797 1.00 12.52 O ATOM 1335 CB MET A 86 -4.370 -6.375 -5.781 1.00 50.11 C ATOM 1336 CG MET A 86 -5.775 -6.897 -5.871 1.00 54.14 C ATOM 1337 SD MET A 86 -6.986 -5.577 -5.809 1.00 71.44 S ATOM 1338 CE MET A 86 -6.659 -4.719 -7.340 1.00 53.40 C ATOM 0 H MET A 86 -3.227 -8.096 -3.954 1.00 22.13 H new ATOM 0 HA MET A 86 -3.413 -7.933 -6.881 1.00 21.40 H new ATOM 0 HB2 MET A 86 -4.245 -5.872 -4.822 1.00 50.11 H new ATOM 0 HB3 MET A 86 -4.227 -5.622 -6.556 1.00 50.11 H new ATOM 0 HG2 MET A 86 -5.895 -7.456 -6.799 1.00 54.14 H new ATOM 0 HG3 MET A 86 -5.956 -7.594 -5.053 1.00 54.14 H new ATOM 0 HE1 MET A 86 -7.490 -4.051 -7.568 1.00 53.40 H new ATOM 0 HE2 MET A 86 -5.742 -4.137 -7.243 1.00 53.40 H new ATOM 0 HE3 MET A 86 -6.545 -5.444 -8.146 1.00 53.40 H new ATOM 1348 N HIS A 87 -1.510 -6.311 -6.969 1.00 30.33 N ATOM 1349 CA HIS A 87 -0.256 -5.614 -7.050 1.00 62.14 C ATOM 1350 C HIS A 87 -0.556 -4.160 -7.248 1.00 35.12 C ATOM 1351 O HIS A 87 -1.355 -3.807 -8.095 1.00 63.32 O ATOM 1352 CB HIS A 87 0.636 -6.154 -8.183 1.00 64.01 C ATOM 1353 CG HIS A 87 1.160 -7.550 -7.981 1.00 62.04 C ATOM 1354 ND1 HIS A 87 2.484 -7.814 -7.753 1.00 33.20 N ATOM 1355 CD2 HIS A 87 0.541 -8.770 -8.016 1.00 73.14 C ATOM 1356 CE1 HIS A 87 2.667 -9.111 -7.658 1.00 44.21 C ATOM 1357 NE2 HIS A 87 1.505 -9.711 -7.814 1.00 23.53 N ATOM 0 H HIS A 87 -1.995 -6.408 -7.861 1.00 30.33 H new ATOM 0 HA HIS A 87 0.305 -5.767 -6.128 1.00 62.14 H new ATOM 0 HB2 HIS A 87 0.068 -6.128 -9.113 1.00 64.01 H new ATOM 0 HB3 HIS A 87 1.484 -5.480 -8.308 1.00 64.01 H new ATOM 0 HD2 HIS A 87 -0.512 -8.952 -8.174 1.00 73.14 H new ATOM 0 HE1 HIS A 87 3.612 -9.603 -7.482 1.00 44.21 H new ATOM 0 HE2 HIS A 87 1.351 -10.719 -7.788 1.00 23.53 H new ATOM 1366 N LEU A 88 0.019 -3.325 -6.458 1.00 61.02 N ATOM 1367 CA LEU A 88 -0.292 -1.926 -6.537 1.00 72.22 C ATOM 1368 C LEU A 88 0.916 -1.141 -6.888 1.00 54.30 C ATOM 1369 O LEU A 88 2.022 -1.440 -6.417 1.00 13.22 O ATOM 1370 CB LEU A 88 -0.908 -1.398 -5.216 1.00 45.43 C ATOM 1371 CG LEU A 88 -2.311 -1.918 -4.811 1.00 3.23 C ATOM 1372 CD1 LEU A 88 -3.343 -1.603 -5.871 1.00 62.33 C ATOM 1373 CD2 LEU A 88 -2.301 -3.399 -4.491 1.00 34.14 C ATOM 0 H LEU A 88 0.707 -3.576 -5.748 1.00 61.02 H new ATOM 0 HA LEU A 88 -1.036 -1.803 -7.324 1.00 72.22 H new ATOM 0 HB2 LEU A 88 -0.217 -1.635 -4.407 1.00 45.43 H new ATOM 0 HB3 LEU A 88 -0.961 -0.311 -5.282 1.00 45.43 H new ATOM 0 HG LEU A 88 -2.590 -1.391 -3.899 1.00 3.23 H new ATOM 0 HD11 LEU A 88 -4.315 -1.981 -5.556 1.00 62.33 H new ATOM 0 HD12 LEU A 88 -3.402 -0.524 -6.012 1.00 62.33 H new ATOM 0 HD13 LEU A 88 -3.056 -2.077 -6.810 1.00 62.33 H new ATOM 0 HD21 LEU A 88 -3.305 -3.718 -4.213 1.00 34.14 H new ATOM 0 HD22 LEU A 88 -1.972 -3.958 -5.367 1.00 34.14 H new ATOM 0 HD23 LEU A 88 -1.618 -3.588 -3.663 1.00 34.14 H new ATOM 1385 N VAL A 89 0.740 -0.166 -7.736 1.00 40.43 N ATOM 1386 CA VAL A 89 1.815 0.691 -8.077 1.00 70.42 C ATOM 1387 C VAL A 89 1.410 2.124 -7.766 1.00 15.43 C ATOM 1388 O VAL A 89 0.304 2.554 -8.100 1.00 65.11 O ATOM 1389 CB VAL A 89 2.228 0.544 -9.591 1.00 40.21 C ATOM 1390 CG1 VAL A 89 2.662 -0.879 -9.899 1.00 22.44 C ATOM 1391 CG2 VAL A 89 1.095 0.920 -10.523 1.00 61.14 C ATOM 0 H VAL A 89 -0.144 0.046 -8.199 1.00 40.43 H new ATOM 0 HA VAL A 89 2.688 0.412 -7.487 1.00 70.42 H new ATOM 0 HB VAL A 89 3.061 1.228 -9.755 1.00 40.21 H new ATOM 0 HG11 VAL A 89 2.942 -0.955 -10.950 1.00 22.44 H new ATOM 0 HG12 VAL A 89 3.517 -1.142 -9.276 1.00 22.44 H new ATOM 0 HG13 VAL A 89 1.839 -1.563 -9.693 1.00 22.44 H new ATOM 0 HG21 VAL A 89 1.421 0.805 -11.557 1.00 61.14 H new ATOM 0 HG22 VAL A 89 0.240 0.270 -10.337 1.00 61.14 H new ATOM 0 HG23 VAL A 89 0.807 1.956 -10.346 1.00 61.14 H new ATOM 1401 N ALA A 90 2.266 2.827 -7.085 1.00 22.10 N ATOM 1402 CA ALA A 90 2.037 4.208 -6.798 1.00 51.14 C ATOM 1403 C ALA A 90 3.291 4.996 -7.000 1.00 44.25 C ATOM 1404 O ALA A 90 4.393 4.515 -6.714 1.00 12.41 O ATOM 1405 CB ALA A 90 1.465 4.427 -5.403 1.00 3.01 C ATOM 0 H ALA A 90 3.141 2.458 -6.714 1.00 22.10 H new ATOM 0 HA ALA A 90 1.283 4.565 -7.499 1.00 51.14 H new ATOM 0 HB1 ALA A 90 1.310 5.493 -5.236 1.00 3.01 H new ATOM 0 HB2 ALA A 90 0.513 3.904 -5.314 1.00 3.01 H new ATOM 0 HB3 ALA A 90 2.162 4.041 -4.659 1.00 3.01 H new