USER MOD reduce.3.24.130724 H: found=0, std=0, add=1142, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1140 hydrogens (55 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 62 THR OG1 : rot 170:sc= 0 USER MOD Set 1.2: A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 120 SER OG : rot 122:sc= 0.216 USER MOD Set 2.1: A 29 TYR OH : rot -20:sc= 0.858 USER MOD Set 2.2: A 97 THR OG1 : rot -49:sc= -0.0475 USER MOD Set 3.1: A 80 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.64) USER MOD Set 3.2: A 101 LYS NZ :NH3+ -156:sc= -0.0211 (180deg=-0.468) USER MOD Set 4.1: A 77 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 300 PBU O6 : rot -32:sc= -0.673! USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 41:sc= 0.69 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -114:sc= 0.866 (180deg=-0.125) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.604 K(o=-0.6,f=-7.6!) USER MOD Single : A 39 ASN : amide:sc= -0.391 K(o=-0.39,f=-1.8) USER MOD Single : A 40 LYS NZ :NH3+ 146:sc=-0.00838 (180deg=-1.65) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.603 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot -120:sc= -0.895 USER MOD Single : A 58 GLN : amide:sc= -0.389 K(o=-0.39,f=-1.6!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.522 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.9!) USER MOD Single : A 76 LYS NZ :NH3+ -153:sc= -0.0226 (180deg=-0.902) USER MOD Single : A 81 THR OG1 : rot 78:sc= -0.117 USER MOD Single : A 83 CYS SG : rot 68:sc= -0.741 USER MOD Single : A 87 CYS SG : rot 10:sc= -0.141 USER MOD Single : A 89 HIS : no HD1:sc= 0.0895 K(o=0.09,f=-0.72) USER MOD Single : A 93 LYS NZ :NH3+ -158:sc= -0.0207 (180deg=-0.196) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-4.1!) USER MOD Single : A 112 THR OG1 : rot 56:sc= 0.242 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= -0.015 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 300 PBU O2 : rot 76:sc= 1.26 USER MOD Single : A 300 PBU O3 : rot -156:sc= 0.158 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 7.620 11.290 2.585 1.00 61.43 N ATOM 2 CA GLY A 2 6.564 11.597 3.531 1.00 52.32 C ATOM 3 C GLY A 2 6.882 11.116 4.932 1.00 5.42 C ATOM 4 O GLY A 2 7.891 11.511 5.517 1.00 61.11 O ATOM 0 HA2 GLY A 2 6.399 12.674 3.549 1.00 52.32 H new ATOM 0 HA3 GLY A 2 5.635 11.137 3.195 1.00 52.32 H new ATOM 8 N ALA A 3 6.019 10.264 5.474 1.00 14.33 N ATOM 9 CA ALA A 3 6.214 9.729 6.817 1.00 55.03 C ATOM 10 C ALA A 3 6.621 8.260 6.768 1.00 3.32 C ATOM 11 O ALA A 3 6.650 7.649 5.700 1.00 15.44 O ATOM 12 CB ALA A 3 4.948 9.901 7.641 1.00 15.04 C ATOM 0 H ALA A 3 5.178 9.929 5.004 1.00 14.33 H new ATOM 0 HA ALA A 3 7.021 10.287 7.291 1.00 55.03 H new ATOM 0 HB1 ALA A 3 5.107 9.498 8.641 1.00 15.04 H new ATOM 0 HB2 ALA A 3 4.701 10.960 7.712 1.00 15.04 H new ATOM 0 HB3 ALA A 3 4.127 9.369 7.161 1.00 15.04 H new ATOM 18 N ARG A 4 6.936 7.700 7.932 1.00 55.23 N ATOM 19 CA ARG A 4 7.344 6.304 8.021 1.00 35.23 C ATOM 20 C ARG A 4 6.407 5.521 8.938 1.00 12.13 C ATOM 21 O ARG A 4 6.854 4.778 9.811 1.00 62.00 O ATOM 22 CB ARG A 4 8.780 6.201 8.536 1.00 42.43 C ATOM 23 CG ARG A 4 9.809 6.807 7.594 1.00 14.02 C ATOM 24 CD ARG A 4 10.989 7.388 8.357 1.00 62.42 C ATOM 25 NE ARG A 4 11.583 8.527 7.662 1.00 20.44 N ATOM 26 CZ ARG A 4 12.781 9.021 7.953 1.00 62.11 C ATOM 27 NH1 ARG A 4 13.509 8.479 8.920 1.00 43.42 N ATOM 28 NH2 ARG A 4 13.254 10.060 7.275 1.00 34.35 N ATOM 0 H ARG A 4 6.916 8.192 8.825 1.00 55.23 H new ATOM 0 HA ARG A 4 7.292 5.873 7.021 1.00 35.23 H new ATOM 0 HB2 ARG A 4 8.847 6.699 9.503 1.00 42.43 H new ATOM 0 HB3 ARG A 4 9.024 5.151 8.701 1.00 42.43 H new ATOM 0 HG2 ARG A 4 10.163 6.044 6.901 1.00 14.02 H new ATOM 0 HG3 ARG A 4 9.341 7.589 6.996 1.00 14.02 H new ATOM 0 HD2 ARG A 4 10.661 7.699 9.349 1.00 62.42 H new ATOM 0 HD3 ARG A 4 11.745 6.616 8.499 1.00 62.42 H new ATOM 0 HE ARG A 4 11.049 8.967 6.913 1.00 20.44 H new ATOM 0 HH11 ARG A 4 13.149 7.680 9.443 1.00 43.42 H new ATOM 0 HH12 ARG A 4 14.429 8.861 9.141 1.00 43.42 H new ATOM 0 HH21 ARG A 4 12.697 10.479 6.530 1.00 34.35 H new ATOM 0 HH22 ARG A 4 14.174 10.439 7.499 1.00 34.35 H new ATOM 42 N ASN A 5 5.105 5.695 8.734 1.00 41.31 N ATOM 43 CA ASN A 5 4.105 5.008 9.543 1.00 24.44 C ATOM 44 C ASN A 5 2.862 4.692 8.718 1.00 51.21 C ATOM 45 O ASN A 5 2.486 3.530 8.562 1.00 14.21 O ATOM 46 CB ASN A 5 3.726 5.860 10.756 1.00 51.15 C ATOM 47 CG ASN A 5 3.732 5.065 12.046 1.00 15.00 C ATOM 48 OD1 ASN A 5 4.788 4.798 12.618 1.00 24.23 O ATOM 49 ND2 ASN A 5 2.548 4.682 12.511 1.00 43.12 N ATOM 0 H ASN A 5 4.718 6.306 8.015 1.00 41.31 H new ATOM 0 HA ASN A 5 4.536 4.069 9.890 1.00 24.44 H new ATOM 0 HB2 ASN A 5 4.423 6.693 10.843 1.00 51.15 H new ATOM 0 HB3 ASN A 5 2.736 6.288 10.601 1.00 51.15 H new ATOM 0 HD21 ASN A 5 2.489 4.144 13.376 1.00 43.12 H new ATOM 0 HD22 ASN A 5 1.698 4.926 12.003 1.00 43.12 H new ATOM 56 N SER A 6 2.227 5.735 8.192 1.00 2.43 N ATOM 57 CA SER A 6 1.023 5.571 7.386 1.00 64.34 C ATOM 58 C SER A 6 0.968 6.613 6.273 1.00 13.53 C ATOM 59 O SER A 6 0.462 7.718 6.468 1.00 41.24 O ATOM 60 CB SER A 6 -0.224 5.678 8.265 1.00 43.51 C ATOM 61 OG SER A 6 -0.255 6.916 8.956 1.00 63.34 O ATOM 0 H SER A 6 2.527 6.703 8.310 1.00 2.43 H new ATOM 0 HA SER A 6 1.052 4.581 6.931 1.00 64.34 H new ATOM 0 HB2 SER A 6 -1.117 5.579 7.648 1.00 43.51 H new ATOM 0 HB3 SER A 6 -0.239 4.857 8.982 1.00 43.51 H new ATOM 0 HG SER A 6 0.046 7.632 8.358 1.00 63.34 H new ATOM 67 N VAL A 7 1.491 6.253 5.105 1.00 21.44 N ATOM 68 CA VAL A 7 1.501 7.155 3.961 1.00 51.43 C ATOM 69 C VAL A 7 0.099 7.332 3.388 1.00 65.21 C ATOM 70 O VAL A 7 -0.363 8.454 3.181 1.00 22.11 O ATOM 71 CB VAL A 7 2.437 6.643 2.851 1.00 51.24 C ATOM 72 CG1 VAL A 7 2.524 7.654 1.716 1.00 1.22 C ATOM 73 CG2 VAL A 7 3.818 6.344 3.414 1.00 62.02 C ATOM 0 H VAL A 7 1.914 5.342 4.927 1.00 21.44 H new ATOM 0 HA VAL A 7 1.867 8.117 4.320 1.00 51.43 H new ATOM 0 HB VAL A 7 2.024 5.717 2.451 1.00 51.24 H new ATOM 0 HG11 VAL A 7 3.190 7.275 0.941 1.00 1.22 H new ATOM 0 HG12 VAL A 7 1.532 7.815 1.295 1.00 1.22 H new ATOM 0 HG13 VAL A 7 2.913 8.598 2.098 1.00 1.22 H new ATOM 0 HG21 VAL A 7 4.466 5.983 2.615 1.00 62.02 H new ATOM 0 HG22 VAL A 7 4.241 7.253 3.842 1.00 62.02 H new ATOM 0 HG23 VAL A 7 3.738 5.581 4.189 1.00 62.02 H new ATOM 83 N LEU A 8 -0.574 6.215 3.133 1.00 32.42 N ATOM 84 CA LEU A 8 -1.925 6.244 2.585 1.00 51.03 C ATOM 85 C LEU A 8 -2.929 6.716 3.632 1.00 60.53 C ATOM 86 O LEU A 8 -2.581 6.907 4.798 1.00 42.04 O ATOM 87 CB LEU A 8 -2.318 4.858 2.072 1.00 54.12 C ATOM 88 CG LEU A 8 -2.210 4.645 0.561 1.00 33.25 C ATOM 89 CD1 LEU A 8 -2.589 3.218 0.194 1.00 10.55 C ATOM 90 CD2 LEU A 8 -3.089 5.641 -0.182 1.00 70.30 C ATOM 0 H LEU A 8 -0.206 5.278 3.297 1.00 32.42 H new ATOM 0 HA LEU A 8 -1.938 6.949 1.754 1.00 51.03 H new ATOM 0 HB2 LEU A 8 -1.691 4.118 2.569 1.00 54.12 H new ATOM 0 HB3 LEU A 8 -3.346 4.659 2.374 1.00 54.12 H new ATOM 0 HG LEU A 8 -1.175 4.812 0.263 1.00 33.25 H new ATOM 0 HD11 LEU A 8 -2.506 3.086 -0.885 1.00 10.55 H new ATOM 0 HD12 LEU A 8 -1.918 2.522 0.698 1.00 10.55 H new ATOM 0 HD13 LEU A 8 -3.615 3.022 0.506 1.00 10.55 H new ATOM 0 HD21 LEU A 8 -3.000 5.475 -1.256 1.00 70.30 H new ATOM 0 HD22 LEU A 8 -4.127 5.507 0.121 1.00 70.30 H new ATOM 0 HD23 LEU A 8 -2.770 6.656 0.056 1.00 70.30 H new ATOM 102 N ARG A 9 -4.175 6.899 3.209 1.00 1.14 N ATOM 103 CA ARG A 9 -5.230 7.347 4.111 1.00 21.44 C ATOM 104 C ARG A 9 -5.631 6.232 5.074 1.00 1.13 C ATOM 105 O ARG A 9 -5.090 5.128 5.022 1.00 14.02 O ATOM 106 CB ARG A 9 -6.450 7.810 3.314 1.00 73.54 C ATOM 107 CG ARG A 9 -6.393 9.274 2.908 1.00 24.45 C ATOM 108 CD ARG A 9 -5.699 9.454 1.568 1.00 0.03 C ATOM 109 NE ARG A 9 -6.289 10.537 0.787 1.00 10.20 N ATOM 110 CZ ARG A 9 -7.478 10.457 0.199 1.00 72.44 C ATOM 111 NH1 ARG A 9 -8.199 9.349 0.302 1.00 31.34 N ATOM 112 NH2 ARG A 9 -7.948 11.486 -0.494 1.00 64.11 N ATOM 0 H ARG A 9 -4.479 6.744 2.248 1.00 1.14 H new ATOM 0 HA ARG A 9 -4.845 8.185 4.692 1.00 21.44 H new ATOM 0 HB2 ARG A 9 -6.542 7.197 2.418 1.00 73.54 H new ATOM 0 HB3 ARG A 9 -7.347 7.641 3.909 1.00 73.54 H new ATOM 0 HG2 ARG A 9 -7.404 9.677 2.852 1.00 24.45 H new ATOM 0 HG3 ARG A 9 -5.865 9.844 3.672 1.00 24.45 H new ATOM 0 HD2 ARG A 9 -4.641 9.660 1.732 1.00 0.03 H new ATOM 0 HD3 ARG A 9 -5.758 8.525 1.001 1.00 0.03 H new ATOM 0 HE ARG A 9 -5.759 11.403 0.687 1.00 10.20 H new ATOM 0 HH11 ARG A 9 -7.841 8.555 0.834 1.00 31.34 H new ATOM 0 HH12 ARG A 9 -9.111 9.290 -0.150 1.00 31.34 H new ATOM 0 HH21 ARG A 9 -7.397 12.340 -0.576 1.00 64.11 H new ATOM 0 HH22 ARG A 9 -8.861 11.423 -0.945 1.00 64.11 H new ATOM 126 N GLY A 10 -6.582 6.531 5.954 1.00 41.12 N ATOM 127 CA GLY A 10 -7.039 5.545 6.916 1.00 42.41 C ATOM 128 C GLY A 10 -7.628 4.316 6.252 1.00 55.44 C ATOM 129 O GLY A 10 -7.258 3.188 6.576 1.00 21.34 O ATOM 0 H GLY A 10 -7.044 7.438 6.018 1.00 41.12 H new ATOM 0 HA2 GLY A 10 -6.204 5.247 7.550 1.00 42.41 H new ATOM 0 HA3 GLY A 10 -7.788 5.997 7.567 1.00 42.41 H new ATOM 133 N LYS A 11 -8.550 4.535 5.319 1.00 32.34 N ATOM 134 CA LYS A 11 -9.193 3.437 4.607 1.00 32.23 C ATOM 135 C LYS A 11 -8.249 2.830 3.576 1.00 43.34 C ATOM 136 O LYS A 11 -8.169 1.610 3.432 1.00 22.15 O ATOM 137 CB LYS A 11 -10.471 3.926 3.921 1.00 21.40 C ATOM 138 CG LYS A 11 -11.354 2.802 3.409 1.00 63.53 C ATOM 139 CD LYS A 11 -12.802 2.994 3.830 1.00 64.22 C ATOM 140 CE LYS A 11 -13.630 1.748 3.561 1.00 74.13 C ATOM 141 NZ LYS A 11 -13.472 0.733 4.639 1.00 62.11 N ATOM 0 H LYS A 11 -8.868 5.463 5.039 1.00 32.34 H new ATOM 0 HA LYS A 11 -9.451 2.667 5.334 1.00 32.23 H new ATOM 0 HB2 LYS A 11 -11.041 4.533 4.624 1.00 21.40 H new ATOM 0 HB3 LYS A 11 -10.201 4.573 3.087 1.00 21.40 H new ATOM 0 HG2 LYS A 11 -11.293 2.757 2.322 1.00 63.53 H new ATOM 0 HG3 LYS A 11 -10.987 1.848 3.789 1.00 63.53 H new ATOM 0 HD2 LYS A 11 -12.844 3.238 4.892 1.00 64.22 H new ATOM 0 HD3 LYS A 11 -13.230 3.840 3.291 1.00 64.22 H new ATOM 0 HE2 LYS A 11 -14.681 2.023 3.472 1.00 74.13 H new ATOM 0 HE3 LYS A 11 -13.332 1.313 2.607 1.00 74.13 H new ATOM 0 HZ1 LYS A 11 -14.052 -0.101 4.418 1.00 62.11 H new ATOM 0 HZ2 LYS A 11 -12.473 0.452 4.707 1.00 62.11 H new ATOM 0 HZ3 LYS A 11 -13.780 1.139 5.546 1.00 62.11 H new ATOM 155 N LYS A 12 -7.532 3.690 2.858 1.00 35.44 N ATOM 156 CA LYS A 12 -6.591 3.239 1.840 1.00 43.20 C ATOM 157 C LYS A 12 -5.500 2.368 2.455 1.00 3.02 C ATOM 158 O LYS A 12 -5.354 1.199 2.103 1.00 24.30 O ATOM 159 CB LYS A 12 -5.960 4.441 1.133 1.00 73.22 C ATOM 160 CG LYS A 12 -6.816 5.004 0.011 1.00 71.42 C ATOM 161 CD LYS A 12 -6.674 4.186 -1.262 1.00 75.44 C ATOM 162 CE LYS A 12 -7.396 4.842 -2.429 1.00 20.21 C ATOM 163 NZ LYS A 12 -8.758 4.273 -2.630 1.00 61.12 N ATOM 0 H LYS A 12 -7.585 4.703 2.963 1.00 35.44 H new ATOM 0 HA LYS A 12 -7.140 2.642 1.111 1.00 43.20 H new ATOM 0 HB2 LYS A 12 -5.773 5.226 1.866 1.00 73.22 H new ATOM 0 HB3 LYS A 12 -4.992 4.147 0.728 1.00 73.22 H new ATOM 0 HG2 LYS A 12 -7.861 5.018 0.321 1.00 71.42 H new ATOM 0 HG3 LYS A 12 -6.528 6.037 -0.185 1.00 71.42 H new ATOM 0 HD2 LYS A 12 -5.618 4.070 -1.505 1.00 75.44 H new ATOM 0 HD3 LYS A 12 -7.076 3.186 -1.100 1.00 75.44 H new ATOM 0 HE2 LYS A 12 -7.473 5.915 -2.251 1.00 20.21 H new ATOM 0 HE3 LYS A 12 -6.810 4.711 -3.339 1.00 20.21 H new ATOM 0 HZ1 LYS A 12 -9.217 4.746 -3.434 1.00 61.12 H new ATOM 0 HZ2 LYS A 12 -8.683 3.254 -2.825 1.00 61.12 H new ATOM 0 HZ3 LYS A 12 -9.326 4.421 -1.771 1.00 61.12 H new ATOM 177 N ALA A 13 -4.738 2.946 3.378 1.00 40.40 N ATOM 178 CA ALA A 13 -3.664 2.221 4.045 1.00 4.45 C ATOM 179 C ALA A 13 -4.150 0.872 4.562 1.00 72.23 C ATOM 180 O ALA A 13 -3.471 -0.143 4.409 1.00 34.44 O ATOM 181 CB ALA A 13 -3.095 3.052 5.186 1.00 4.31 C ATOM 0 H ALA A 13 -4.845 3.914 3.681 1.00 40.40 H new ATOM 0 HA ALA A 13 -2.875 2.038 3.315 1.00 4.45 H new ATOM 0 HB1 ALA A 13 -2.294 2.498 5.675 1.00 4.31 H new ATOM 0 HB2 ALA A 13 -2.701 3.989 4.792 1.00 4.31 H new ATOM 0 HB3 ALA A 13 -3.883 3.265 5.909 1.00 4.31 H new ATOM 187 N ASP A 14 -5.328 0.868 5.175 1.00 11.13 N ATOM 188 CA ASP A 14 -5.906 -0.357 5.715 1.00 63.21 C ATOM 189 C ASP A 14 -5.895 -1.468 4.670 1.00 24.54 C ATOM 190 O ASP A 14 -5.439 -2.580 4.939 1.00 24.11 O ATOM 191 CB ASP A 14 -7.337 -0.104 6.193 1.00 45.10 C ATOM 192 CG ASP A 14 -7.532 -0.467 7.652 1.00 64.31 C ATOM 193 OD1 ASP A 14 -7.040 -1.537 8.069 1.00 43.04 O ATOM 194 OD2 ASP A 14 -8.176 0.319 8.378 1.00 75.14 O ATOM 0 H ASP A 14 -5.902 1.700 5.311 1.00 11.13 H new ATOM 0 HA ASP A 14 -5.299 -0.673 6.563 1.00 63.21 H new ATOM 0 HB2 ASP A 14 -7.585 0.947 6.047 1.00 45.10 H new ATOM 0 HB3 ASP A 14 -8.029 -0.683 5.582 1.00 45.10 H new ATOM 199 N GLU A 15 -6.401 -1.162 3.481 1.00 45.43 N ATOM 200 CA GLU A 15 -6.449 -2.136 2.397 1.00 53.30 C ATOM 201 C GLU A 15 -5.063 -2.710 2.118 1.00 12.31 C ATOM 202 O GLU A 15 -4.921 -3.888 1.787 1.00 13.43 O ATOM 203 CB GLU A 15 -7.013 -1.493 1.128 1.00 40.43 C ATOM 204 CG GLU A 15 -8.456 -1.872 0.842 1.00 71.01 C ATOM 205 CD GLU A 15 -8.577 -3.186 0.094 1.00 31.33 C ATOM 206 OE1 GLU A 15 -7.829 -4.129 0.427 1.00 74.23 O ATOM 207 OE2 GLU A 15 -9.420 -3.271 -0.823 1.00 13.15 O ATOM 0 H GLU A 15 -6.784 -0.247 3.243 1.00 45.43 H new ATOM 0 HA GLU A 15 -7.104 -2.951 2.704 1.00 53.30 H new ATOM 0 HB2 GLU A 15 -6.942 -0.409 1.218 1.00 40.43 H new ATOM 0 HB3 GLU A 15 -6.395 -1.783 0.278 1.00 40.43 H new ATOM 0 HG2 GLU A 15 -9.003 -1.942 1.782 1.00 71.01 H new ATOM 0 HG3 GLU A 15 -8.927 -1.081 0.258 1.00 71.01 H new ATOM 214 N LEU A 16 -4.044 -1.869 2.252 1.00 10.43 N ATOM 215 CA LEU A 16 -2.667 -2.290 2.014 1.00 72.43 C ATOM 216 C LEU A 16 -2.194 -3.246 3.105 1.00 54.50 C ATOM 217 O LEU A 16 -1.567 -4.265 2.821 1.00 22.34 O ATOM 218 CB LEU A 16 -1.744 -1.073 1.950 1.00 72.13 C ATOM 219 CG LEU A 16 -0.277 -1.359 1.628 1.00 54.11 C ATOM 220 CD1 LEU A 16 0.508 -1.625 2.904 1.00 54.42 C ATOM 221 CD2 LEU A 16 -0.161 -2.539 0.674 1.00 52.51 C ATOM 0 H LEU A 16 -4.145 -0.891 2.524 1.00 10.43 H new ATOM 0 HA LEU A 16 -2.633 -2.813 1.058 1.00 72.43 H new ATOM 0 HB2 LEU A 16 -2.133 -0.386 1.198 1.00 72.13 H new ATOM 0 HB3 LEU A 16 -1.791 -0.556 2.908 1.00 72.13 H new ATOM 0 HG LEU A 16 0.146 -0.480 1.142 1.00 54.11 H new ATOM 0 HD11 LEU A 16 1.550 -1.827 2.655 1.00 54.42 H new ATOM 0 HD12 LEU A 16 0.453 -0.752 3.554 1.00 54.42 H new ATOM 0 HD13 LEU A 16 0.085 -2.488 3.419 1.00 54.42 H new ATOM 0 HD21 LEU A 16 0.890 -2.728 0.456 1.00 52.51 H new ATOM 0 HD22 LEU A 16 -0.601 -3.424 1.134 1.00 52.51 H new ATOM 0 HD23 LEU A 16 -0.689 -2.311 -0.252 1.00 52.51 H new ATOM 233 N GLU A 17 -2.502 -2.907 4.354 1.00 24.31 N ATOM 234 CA GLU A 17 -2.108 -3.736 5.487 1.00 11.34 C ATOM 235 C GLU A 17 -3.053 -4.923 5.648 1.00 33.13 C ATOM 236 O GLU A 17 -2.871 -5.760 6.533 1.00 54.43 O ATOM 237 CB GLU A 17 -2.090 -2.906 6.773 1.00 74.31 C ATOM 238 CG GLU A 17 -1.094 -1.759 6.743 1.00 51.50 C ATOM 239 CD GLU A 17 0.278 -2.164 7.242 1.00 41.23 C ATOM 240 OE1 GLU A 17 0.370 -2.667 8.382 1.00 3.32 O ATOM 241 OE2 GLU A 17 1.261 -1.979 6.495 1.00 50.24 O ATOM 0 H GLU A 17 -3.022 -2.066 4.606 1.00 24.31 H new ATOM 0 HA GLU A 17 -1.105 -4.116 5.294 1.00 11.34 H new ATOM 0 HB2 GLU A 17 -3.088 -2.505 6.951 1.00 74.31 H new ATOM 0 HB3 GLU A 17 -1.854 -3.559 7.614 1.00 74.31 H new ATOM 0 HG2 GLU A 17 -1.009 -1.383 5.723 1.00 51.50 H new ATOM 0 HG3 GLU A 17 -1.471 -0.939 7.354 1.00 51.50 H new ATOM 248 N ARG A 18 -4.064 -4.987 4.787 1.00 22.13 N ATOM 249 CA ARG A 18 -5.039 -6.069 4.835 1.00 60.44 C ATOM 250 C ARG A 18 -4.677 -7.171 3.843 1.00 73.43 C ATOM 251 O ARG A 18 -5.028 -8.336 4.038 1.00 25.11 O ATOM 252 CB ARG A 18 -6.441 -5.536 4.530 1.00 4.35 C ATOM 253 CG ARG A 18 -7.281 -5.289 5.772 1.00 21.12 C ATOM 254 CD ARG A 18 -8.076 -6.526 6.161 1.00 62.33 C ATOM 255 NE ARG A 18 -9.225 -6.736 5.284 1.00 30.14 N ATOM 256 CZ ARG A 18 -10.137 -7.682 5.480 1.00 22.50 C ATOM 257 NH1 ARG A 18 -10.033 -8.503 6.518 1.00 44.31 N ATOM 258 NH2 ARG A 18 -11.154 -7.810 4.639 1.00 22.33 N ATOM 0 H ARG A 18 -4.229 -4.303 4.049 1.00 22.13 H new ATOM 0 HA ARG A 18 -5.028 -6.489 5.841 1.00 60.44 H new ATOM 0 HB2 ARG A 18 -6.353 -4.605 3.970 1.00 4.35 H new ATOM 0 HB3 ARG A 18 -6.959 -6.247 3.887 1.00 4.35 H new ATOM 0 HG2 ARG A 18 -6.633 -4.996 6.598 1.00 21.12 H new ATOM 0 HG3 ARG A 18 -7.963 -4.458 5.592 1.00 21.12 H new ATOM 0 HD2 ARG A 18 -7.427 -7.401 6.124 1.00 62.33 H new ATOM 0 HD3 ARG A 18 -8.419 -6.427 7.191 1.00 62.33 H new ATOM 0 HE ARG A 18 -9.333 -6.122 4.476 1.00 30.14 H new ATOM 0 HH11 ARG A 18 -9.252 -8.408 7.167 1.00 44.31 H new ATOM 0 HH12 ARG A 18 -10.734 -9.229 6.667 1.00 44.31 H new ATOM 0 HH21 ARG A 18 -11.237 -7.182 3.840 1.00 22.33 H new ATOM 0 HH22 ARG A 18 -11.853 -8.537 4.791 1.00 22.33 H new ATOM 272 N ILE A 19 -3.975 -6.796 2.779 1.00 62.22 N ATOM 273 CA ILE A 19 -3.566 -7.752 1.758 1.00 43.32 C ATOM 274 C ILE A 19 -2.396 -8.604 2.239 1.00 1.53 C ATOM 275 O ILE A 19 -1.407 -8.082 2.755 1.00 5.42 O ATOM 276 CB ILE A 19 -3.166 -7.043 0.451 1.00 71.11 C ATOM 277 CG1 ILE A 19 -4.342 -6.231 -0.095 1.00 54.10 C ATOM 278 CG2 ILE A 19 -2.694 -8.058 -0.579 1.00 40.22 C ATOM 279 CD1 ILE A 19 -3.926 -4.945 -0.773 1.00 43.34 C ATOM 0 H ILE A 19 -3.678 -5.837 2.602 1.00 62.22 H new ATOM 0 HA ILE A 19 -4.425 -8.394 1.565 1.00 43.32 H new ATOM 0 HB ILE A 19 -2.344 -6.360 0.663 1.00 71.11 H new ATOM 0 HG12 ILE A 19 -4.897 -6.844 -0.805 1.00 54.10 H new ATOM 0 HG13 ILE A 19 -5.022 -5.997 0.724 1.00 54.10 H new ATOM 0 HG21 ILE A 19 -2.415 -7.542 -1.497 1.00 40.22 H new ATOM 0 HG22 ILE A 19 -1.831 -8.597 -0.189 1.00 40.22 H new ATOM 0 HG23 ILE A 19 -3.498 -8.763 -0.790 1.00 40.22 H new ATOM 0 HD11 ILE A 19 -4.811 -4.422 -1.135 1.00 43.34 H new ATOM 0 HD12 ILE A 19 -3.397 -4.312 -0.060 1.00 43.34 H new ATOM 0 HD13 ILE A 19 -3.270 -5.172 -1.613 1.00 43.34 H new ATOM 291 N ARG A 20 -2.515 -9.915 2.065 1.00 24.13 N ATOM 292 CA ARG A 20 -1.466 -10.840 2.482 1.00 55.34 C ATOM 293 C ARG A 20 -0.638 -11.298 1.285 1.00 55.22 C ATOM 294 O ARG A 20 -1.181 -11.593 0.219 1.00 22.21 O ATOM 295 CB ARG A 20 -2.076 -12.052 3.188 1.00 15.30 C ATOM 296 CG ARG A 20 -1.242 -12.561 4.353 1.00 72.31 C ATOM 297 CD ARG A 20 -0.362 -13.730 3.938 1.00 12.13 C ATOM 298 NE ARG A 20 1.026 -13.324 3.738 1.00 64.35 N ATOM 299 CZ ARG A 20 2.062 -14.137 3.914 1.00 64.32 C ATOM 300 NH1 ARG A 20 1.867 -15.393 4.292 1.00 70.43 N ATOM 301 NH2 ARG A 20 3.296 -13.695 3.711 1.00 62.22 N ATOM 0 H ARG A 20 -3.327 -10.362 1.638 1.00 24.13 H new ATOM 0 HA ARG A 20 -0.810 -10.316 3.177 1.00 55.34 H new ATOM 0 HB2 ARG A 20 -3.069 -11.789 3.551 1.00 15.30 H new ATOM 0 HB3 ARG A 20 -2.204 -12.857 2.464 1.00 15.30 H new ATOM 0 HG2 ARG A 20 -0.619 -11.753 4.736 1.00 72.31 H new ATOM 0 HG3 ARG A 20 -1.900 -12.870 5.166 1.00 72.31 H new ATOM 0 HD2 ARG A 20 -0.406 -14.507 4.702 1.00 12.13 H new ATOM 0 HD3 ARG A 20 -0.749 -14.166 3.017 1.00 12.13 H new ATOM 0 HE ARG A 20 1.210 -12.364 3.447 1.00 64.35 H new ATOM 0 HH11 ARG A 20 0.920 -15.737 4.448 1.00 70.43 H new ATOM 0 HH12 ARG A 20 2.664 -16.015 4.426 1.00 70.43 H new ATOM 0 HH21 ARG A 20 3.451 -12.730 3.419 1.00 62.22 H new ATOM 0 HH22 ARG A 20 4.090 -14.320 3.847 1.00 62.22 H new ATOM 315 N LEU A 21 0.676 -11.354 1.467 1.00 34.41 N ATOM 316 CA LEU A 21 1.578 -11.777 0.402 1.00 44.41 C ATOM 317 C LEU A 21 1.237 -13.184 -0.075 1.00 23.25 C ATOM 318 O LEU A 21 1.585 -13.574 -1.190 1.00 11.43 O ATOM 319 CB LEU A 21 3.029 -11.727 0.886 1.00 3.54 C ATOM 320 CG LEU A 21 3.489 -10.401 1.495 1.00 73.31 C ATOM 321 CD1 LEU A 21 4.440 -10.648 2.655 1.00 64.00 C ATOM 322 CD2 LEU A 21 4.149 -9.529 0.436 1.00 34.32 C ATOM 0 H LEU A 21 1.141 -11.112 2.342 1.00 34.41 H new ATOM 0 HA LEU A 21 1.457 -11.091 -0.436 1.00 44.41 H new ATOM 0 HB2 LEU A 21 3.171 -12.513 1.628 1.00 3.54 H new ATOM 0 HB3 LEU A 21 3.680 -11.962 0.044 1.00 3.54 H new ATOM 0 HG LEU A 21 2.614 -9.875 1.876 1.00 73.31 H new ATOM 0 HD11 LEU A 21 4.757 -9.694 3.076 1.00 64.00 H new ATOM 0 HD12 LEU A 21 3.933 -11.233 3.423 1.00 64.00 H new ATOM 0 HD13 LEU A 21 5.313 -11.195 2.300 1.00 64.00 H new ATOM 0 HD21 LEU A 21 4.470 -8.590 0.886 1.00 34.32 H new ATOM 0 HD22 LEU A 21 5.014 -10.049 0.024 1.00 34.32 H new ATOM 0 HD23 LEU A 21 3.436 -9.323 -0.362 1.00 34.32 H new ATOM 334 N ARG A 22 0.554 -13.942 0.776 1.00 33.54 N ATOM 335 CA ARG A 22 0.165 -15.307 0.442 1.00 55.55 C ATOM 336 C ARG A 22 -1.352 -15.428 0.333 1.00 72.22 C ATOM 337 O ARG A 22 -2.104 -14.598 0.844 1.00 74.41 O ATOM 338 CB ARG A 22 0.691 -16.283 1.494 1.00 2.12 C ATOM 339 CG ARG A 22 2.194 -16.503 1.424 1.00 74.25 C ATOM 340 CD ARG A 22 2.582 -17.304 0.190 1.00 15.02 C ATOM 341 NE ARG A 22 2.638 -18.738 0.463 1.00 45.43 N ATOM 342 CZ ARG A 22 2.561 -19.669 -0.482 1.00 2.42 C ATOM 343 NH1 ARG A 22 2.426 -19.318 -1.753 1.00 50.52 N ATOM 344 NH2 ARG A 22 2.620 -20.953 -0.155 1.00 72.04 N ATOM 0 H ARG A 22 0.258 -13.634 1.702 1.00 33.54 H new ATOM 0 HA ARG A 22 0.603 -15.556 -0.524 1.00 55.55 H new ATOM 0 HB2 ARG A 22 0.433 -15.910 2.485 1.00 2.12 H new ATOM 0 HB3 ARG A 22 0.186 -17.241 1.373 1.00 2.12 H new ATOM 0 HG2 ARG A 22 2.704 -15.540 1.409 1.00 74.25 H new ATOM 0 HG3 ARG A 22 2.528 -17.027 2.319 1.00 74.25 H new ATOM 0 HD2 ARG A 22 1.862 -17.114 -0.606 1.00 15.02 H new ATOM 0 HD3 ARG A 22 3.553 -16.966 -0.171 1.00 15.02 H new ATOM 0 HE ARG A 22 2.742 -19.041 1.431 1.00 45.43 H new ATOM 0 HH11 ARG A 22 2.381 -18.331 -2.008 1.00 50.52 H new ATOM 0 HH12 ARG A 22 2.367 -20.035 -2.476 1.00 50.52 H new ATOM 0 HH21 ARG A 22 2.724 -21.226 0.822 1.00 72.04 H new ATOM 0 HH22 ARG A 22 2.561 -21.667 -0.881 1.00 72.04 H new ATOM 358 N PRO A 23 -1.814 -16.487 -0.349 1.00 1.21 N ATOM 359 CA PRO A 23 -3.245 -16.743 -0.541 1.00 50.21 C ATOM 360 C PRO A 23 -3.939 -17.150 0.754 1.00 53.23 C ATOM 361 O PRO A 23 -4.978 -16.597 1.114 1.00 41.51 O ATOM 362 CB PRO A 23 -3.268 -17.897 -1.546 1.00 3.44 C ATOM 363 CG PRO A 23 -1.962 -18.589 -1.358 1.00 21.20 C ATOM 364 CD PRO A 23 -0.975 -17.517 -0.985 1.00 11.01 C ATOM 0 HA PRO A 23 -3.776 -15.854 -0.881 1.00 50.21 H new ATOM 0 HB2 PRO A 23 -4.104 -18.570 -1.356 1.00 3.44 H new ATOM 0 HB3 PRO A 23 -3.379 -17.531 -2.567 1.00 3.44 H new ATOM 0 HG2 PRO A 23 -2.030 -19.346 -0.576 1.00 21.20 H new ATOM 0 HG3 PRO A 23 -1.656 -19.100 -2.271 1.00 21.20 H new ATOM 0 HD2 PRO A 23 -0.213 -17.892 -0.302 1.00 11.01 H new ATOM 0 HD3 PRO A 23 -0.455 -17.128 -1.860 1.00 11.01 H new ATOM 372 N GLY A 24 -3.359 -18.121 1.452 1.00 22.42 N ATOM 373 CA GLY A 24 -3.935 -18.585 2.700 1.00 35.30 C ATOM 374 C GLY A 24 -3.074 -18.246 3.900 1.00 64.21 C ATOM 375 O GLY A 24 -3.001 -19.015 4.857 1.00 24.42 O ATOM 0 H GLY A 24 -2.499 -18.595 1.175 1.00 22.42 H new ATOM 0 HA2 GLY A 24 -4.922 -18.140 2.828 1.00 35.30 H new ATOM 0 HA3 GLY A 24 -4.076 -19.665 2.652 1.00 35.30 H new ATOM 379 N GLY A 25 -2.417 -17.092 3.847 1.00 52.40 N ATOM 380 CA GLY A 25 -1.562 -16.673 4.942 1.00 32.33 C ATOM 381 C GLY A 25 -2.175 -15.555 5.762 1.00 41.43 C ATOM 382 O GLY A 25 -3.352 -15.229 5.601 1.00 63.13 O ATOM 0 H GLY A 25 -2.462 -16.439 3.065 1.00 52.40 H new ATOM 0 HA2 GLY A 25 -1.362 -17.527 5.590 1.00 32.33 H new ATOM 0 HA3 GLY A 25 -0.602 -16.343 4.544 1.00 32.33 H new ATOM 386 N LYS A 26 -1.377 -14.965 6.645 1.00 52.25 N ATOM 387 CA LYS A 26 -1.846 -13.875 7.493 1.00 71.52 C ATOM 388 C LYS A 26 -0.811 -12.757 7.565 1.00 32.31 C ATOM 389 O LYS A 26 -1.010 -11.757 8.257 1.00 62.45 O ATOM 390 CB LYS A 26 -2.152 -14.393 8.900 1.00 34.51 C ATOM 391 CG LYS A 26 -3.635 -14.579 9.171 1.00 23.20 C ATOM 392 CD LYS A 26 -3.917 -15.915 9.840 1.00 43.45 C ATOM 393 CE LYS A 26 -3.438 -15.927 11.283 1.00 62.33 C ATOM 394 NZ LYS A 26 -2.943 -17.272 11.690 1.00 35.34 N ATOM 0 H LYS A 26 -0.401 -15.223 6.792 1.00 52.25 H new ATOM 0 HA LYS A 26 -2.759 -13.473 7.054 1.00 71.52 H new ATOM 0 HB2 LYS A 26 -1.642 -15.345 9.046 1.00 34.51 H new ATOM 0 HB3 LYS A 26 -1.742 -13.697 9.632 1.00 34.51 H new ATOM 0 HG2 LYS A 26 -3.994 -13.770 9.807 1.00 23.20 H new ATOM 0 HG3 LYS A 26 -4.188 -14.517 8.234 1.00 23.20 H new ATOM 0 HD2 LYS A 26 -4.987 -16.120 9.809 1.00 43.45 H new ATOM 0 HD3 LYS A 26 -3.423 -16.713 9.285 1.00 43.45 H new ATOM 0 HE2 LYS A 26 -2.642 -15.193 11.408 1.00 62.33 H new ATOM 0 HE3 LYS A 26 -4.254 -15.626 11.940 1.00 62.33 H new ATOM 0 HZ1 LYS A 26 -2.625 -17.240 12.680 1.00 35.34 H new ATOM 0 HZ2 LYS A 26 -3.710 -17.968 11.595 1.00 35.34 H new ATOM 0 HZ3 LYS A 26 -2.148 -17.548 11.080 1.00 35.34 H new ATOM 408 N LYS A 27 0.292 -12.931 6.847 1.00 63.04 N ATOM 409 CA LYS A 27 1.358 -11.936 6.827 1.00 31.11 C ATOM 410 C LYS A 27 1.064 -10.846 5.801 1.00 5.15 C ATOM 411 O LYS A 27 1.474 -10.939 4.645 1.00 0.33 O ATOM 412 CB LYS A 27 2.699 -12.602 6.509 1.00 52.51 C ATOM 413 CG LYS A 27 3.746 -12.406 7.591 1.00 1.40 C ATOM 414 CD LYS A 27 5.122 -12.851 7.123 1.00 10.13 C ATOM 415 CE LYS A 27 6.032 -11.661 6.856 1.00 75.33 C ATOM 416 NZ LYS A 27 7.460 -11.984 7.127 1.00 52.13 N ATOM 0 H LYS A 27 0.472 -13.753 6.270 1.00 63.04 H new ATOM 0 HA LYS A 27 1.412 -11.477 7.814 1.00 31.11 H new ATOM 0 HB2 LYS A 27 2.539 -13.670 6.359 1.00 52.51 H new ATOM 0 HB3 LYS A 27 3.080 -12.202 5.569 1.00 52.51 H new ATOM 0 HG2 LYS A 27 3.781 -11.355 7.879 1.00 1.40 H new ATOM 0 HG3 LYS A 27 3.463 -12.971 8.479 1.00 1.40 H new ATOM 0 HD2 LYS A 27 5.574 -13.494 7.878 1.00 10.13 H new ATOM 0 HD3 LYS A 27 5.024 -13.446 6.215 1.00 10.13 H new ATOM 0 HE2 LYS A 27 5.922 -11.345 5.819 1.00 75.33 H new ATOM 0 HE3 LYS A 27 5.725 -10.822 7.480 1.00 75.33 H new ATOM 0 HZ1 LYS A 27 7.796 -11.421 7.935 1.00 52.13 H new ATOM 0 HZ2 LYS A 27 7.551 -12.996 7.348 1.00 52.13 H new ATOM 0 HZ3 LYS A 27 8.032 -11.760 6.288 1.00 52.13 H new ATOM 430 N LYS A 28 0.352 -9.810 6.235 1.00 42.23 N ATOM 431 CA LYS A 28 0.006 -8.699 5.356 1.00 52.31 C ATOM 432 C LYS A 28 1.239 -7.869 5.015 1.00 14.33 C ATOM 433 O LYS A 28 2.313 -8.076 5.580 1.00 45.11 O ATOM 434 CB LYS A 28 -1.053 -7.812 6.015 1.00 14.11 C ATOM 435 CG LYS A 28 -2.293 -8.570 6.457 1.00 70.35 C ATOM 436 CD LYS A 28 -2.542 -8.413 7.947 1.00 24.30 C ATOM 437 CE LYS A 28 -3.705 -9.276 8.411 1.00 14.13 C ATOM 438 NZ LYS A 28 -4.952 -8.478 8.585 1.00 23.12 N ATOM 0 H LYS A 28 0.004 -9.717 7.189 1.00 42.23 H new ATOM 0 HA LYS A 28 -0.398 -9.112 4.432 1.00 52.31 H new ATOM 0 HB2 LYS A 28 -0.613 -7.317 6.880 1.00 14.11 H new ATOM 0 HB3 LYS A 28 -1.346 -7.030 5.315 1.00 14.11 H new ATOM 0 HG2 LYS A 28 -3.159 -8.208 5.903 1.00 70.35 H new ATOM 0 HG3 LYS A 28 -2.180 -9.627 6.216 1.00 70.35 H new ATOM 0 HD2 LYS A 28 -1.642 -8.686 8.498 1.00 24.30 H new ATOM 0 HD3 LYS A 28 -2.750 -7.367 8.174 1.00 24.30 H new ATOM 0 HE2 LYS A 28 -3.880 -10.070 7.685 1.00 14.13 H new ATOM 0 HE3 LYS A 28 -3.447 -9.757 9.354 1.00 14.13 H new ATOM 0 HZ1 LYS A 28 -5.722 -9.101 8.902 1.00 23.12 H new ATOM 0 HZ2 LYS A 28 -4.793 -7.736 9.296 1.00 23.12 H new ATOM 0 HZ3 LYS A 28 -5.213 -8.039 7.679 1.00 23.12 H new ATOM 452 N TYR A 29 1.077 -6.930 4.091 1.00 10.53 N ATOM 453 CA TYR A 29 2.178 -6.068 3.676 1.00 64.03 C ATOM 454 C TYR A 29 2.561 -5.098 4.788 1.00 3.30 C ATOM 455 O TYR A 29 1.734 -4.740 5.628 1.00 64.52 O ATOM 456 CB TYR A 29 1.797 -5.292 2.414 1.00 1.31 C ATOM 457 CG TYR A 29 1.951 -6.092 1.141 1.00 53.13 C ATOM 458 CD1 TYR A 29 0.960 -6.975 0.728 1.00 31.33 C ATOM 459 CD2 TYR A 29 3.085 -5.964 0.349 1.00 43.24 C ATOM 460 CE1 TYR A 29 1.096 -7.709 -0.435 1.00 32.23 C ATOM 461 CE2 TYR A 29 3.228 -6.693 -0.817 1.00 4.24 C ATOM 462 CZ TYR A 29 2.232 -7.564 -1.203 1.00 2.31 C ATOM 463 OH TYR A 29 2.370 -8.292 -2.362 1.00 64.32 O ATOM 0 H TYR A 29 0.194 -6.746 3.615 1.00 10.53 H new ATOM 0 HA TYR A 29 3.039 -6.700 3.460 1.00 64.03 H new ATOM 0 HB2 TYR A 29 0.763 -4.959 2.501 1.00 1.31 H new ATOM 0 HB3 TYR A 29 2.415 -4.397 2.348 1.00 1.31 H new ATOM 0 HD1 TYR A 29 0.068 -7.089 1.326 1.00 31.33 H new ATOM 0 HD2 TYR A 29 3.868 -5.284 0.649 1.00 43.24 H new ATOM 0 HE1 TYR A 29 0.317 -8.392 -0.741 1.00 32.23 H new ATOM 0 HE2 TYR A 29 4.115 -6.581 -1.422 1.00 4.24 H new ATOM 0 HH TYR A 29 1.769 -9.066 -2.336 1.00 64.32 H new ATOM 473 N ARG A 30 3.821 -4.673 4.787 1.00 34.15 N ATOM 474 CA ARG A 30 4.315 -3.745 5.796 1.00 52.23 C ATOM 475 C ARG A 30 5.281 -2.737 5.180 1.00 22.23 C ATOM 476 O ARG A 30 5.783 -2.938 4.074 1.00 63.10 O ATOM 477 CB ARG A 30 5.007 -4.507 6.927 1.00 65.33 C ATOM 478 CG ARG A 30 4.180 -4.597 8.198 1.00 53.54 C ATOM 479 CD ARG A 30 5.013 -5.085 9.373 1.00 63.21 C ATOM 480 NE ARG A 30 4.419 -4.719 10.656 1.00 72.25 N ATOM 481 CZ ARG A 30 4.460 -3.492 11.162 1.00 61.32 C ATOM 482 NH1 ARG A 30 5.067 -2.518 10.499 1.00 54.54 N ATOM 483 NH2 ARG A 30 3.895 -3.238 12.336 1.00 61.53 N ATOM 0 H ARG A 30 4.518 -4.957 4.098 1.00 34.15 H new ATOM 0 HA ARG A 30 3.462 -3.203 6.203 1.00 52.23 H new ATOM 0 HB2 ARG A 30 5.241 -5.515 6.584 1.00 65.33 H new ATOM 0 HB3 ARG A 30 5.955 -4.020 7.155 1.00 65.33 H new ATOM 0 HG2 ARG A 30 3.760 -3.618 8.430 1.00 53.54 H new ATOM 0 HG3 ARG A 30 3.341 -5.274 8.040 1.00 53.54 H new ATOM 0 HD2 ARG A 30 5.117 -6.169 9.318 1.00 63.21 H new ATOM 0 HD3 ARG A 30 6.016 -4.665 9.305 1.00 63.21 H new ATOM 0 HE ARG A 30 3.947 -5.446 11.193 1.00 72.25 H new ATOM 0 HH11 ARG A 30 5.504 -2.710 9.598 1.00 54.54 H new ATOM 0 HH12 ARG A 30 5.097 -1.576 10.890 1.00 54.54 H new ATOM 0 HH21 ARG A 30 3.429 -3.986 12.850 1.00 61.53 H new ATOM 0 HH22 ARG A 30 3.927 -2.295 12.724 1.00 61.53 H new ATOM 497 N LEU A 31 5.538 -1.653 5.904 1.00 32.31 N ATOM 498 CA LEU A 31 6.444 -0.613 5.429 1.00 12.11 C ATOM 499 C LEU A 31 7.751 -1.218 4.926 1.00 11.33 C ATOM 500 O LEU A 31 8.388 -0.681 4.019 1.00 2.24 O ATOM 501 CB LEU A 31 6.731 0.391 6.548 1.00 33.23 C ATOM 502 CG LEU A 31 5.974 1.716 6.471 1.00 53.55 C ATOM 503 CD1 LEU A 31 4.485 1.495 6.690 1.00 4.43 C ATOM 504 CD2 LEU A 31 6.524 2.706 7.488 1.00 60.11 C ATOM 0 H LEU A 31 5.132 -1.471 6.822 1.00 32.31 H new ATOM 0 HA LEU A 31 5.961 -0.096 4.600 1.00 12.11 H new ATOM 0 HB2 LEU A 31 6.498 -0.082 7.502 1.00 33.23 H new ATOM 0 HB3 LEU A 31 7.800 0.606 6.551 1.00 33.23 H new ATOM 0 HG LEU A 31 6.115 2.134 5.474 1.00 53.55 H new ATOM 0 HD11 LEU A 31 3.963 2.450 6.632 1.00 4.43 H new ATOM 0 HD12 LEU A 31 4.100 0.823 5.923 1.00 4.43 H new ATOM 0 HD13 LEU A 31 4.324 1.053 7.673 1.00 4.43 H new ATOM 0 HD21 LEU A 31 5.972 3.644 7.418 1.00 60.11 H new ATOM 0 HD22 LEU A 31 6.415 2.295 8.492 1.00 60.11 H new ATOM 0 HD23 LEU A 31 7.579 2.889 7.283 1.00 60.11 H new ATOM 516 N LYS A 32 8.145 -2.340 5.518 1.00 72.32 N ATOM 517 CA LYS A 32 9.374 -3.021 5.128 1.00 14.14 C ATOM 518 C LYS A 32 9.327 -3.428 3.659 1.00 20.23 C ATOM 519 O LYS A 32 10.349 -3.427 2.972 1.00 33.51 O ATOM 520 CB LYS A 32 9.596 -4.257 6.004 1.00 11.33 C ATOM 521 CG LYS A 32 8.369 -5.143 6.128 1.00 13.01 C ATOM 522 CD LYS A 32 8.750 -6.590 6.390 1.00 65.35 C ATOM 523 CE LYS A 32 9.118 -6.815 7.849 1.00 64.14 C ATOM 524 NZ LYS A 32 10.385 -7.583 7.990 1.00 62.24 N ATOM 0 H LYS A 32 7.631 -2.798 6.271 1.00 72.32 H new ATOM 0 HA LYS A 32 10.204 -2.329 5.269 1.00 14.14 H new ATOM 0 HB2 LYS A 32 10.416 -4.843 5.590 1.00 11.33 H new ATOM 0 HB3 LYS A 32 9.904 -3.936 6.999 1.00 11.33 H new ATOM 0 HG2 LYS A 32 7.737 -4.780 6.939 1.00 13.01 H new ATOM 0 HG3 LYS A 32 7.780 -5.081 5.213 1.00 13.01 H new ATOM 0 HD2 LYS A 32 7.919 -7.241 6.119 1.00 65.35 H new ATOM 0 HD3 LYS A 32 9.592 -6.866 5.755 1.00 65.35 H new ATOM 0 HE2 LYS A 32 9.219 -5.852 8.350 1.00 64.14 H new ATOM 0 HE3 LYS A 32 8.311 -7.351 8.348 1.00 64.14 H new ATOM 0 HZ1 LYS A 32 10.601 -7.715 8.999 1.00 62.24 H new ATOM 0 HZ2 LYS A 32 10.281 -8.512 7.534 1.00 62.24 H new ATOM 0 HZ3 LYS A 32 11.161 -7.060 7.536 1.00 62.24 H new ATOM 538 N HIS A 33 8.136 -3.774 3.183 1.00 12.01 N ATOM 539 CA HIS A 33 7.956 -4.181 1.793 1.00 74.12 C ATOM 540 C HIS A 33 7.929 -2.966 0.871 1.00 1.42 C ATOM 541 O HIS A 33 8.495 -3.070 -0.218 1.00 24.01 O ATOM 542 CB HIS A 33 6.662 -4.983 1.637 1.00 5.55 C ATOM 543 CG HIS A 33 6.632 -6.236 2.456 1.00 34.33 C ATOM 544 ND1 HIS A 33 5.831 -6.390 3.569 1.00 45.44 N ATOM 545 CD2 HIS A 33 7.309 -7.400 2.319 1.00 70.33 C ATOM 546 CE1 HIS A 33 6.018 -7.594 4.079 1.00 5.44 C ATOM 547 NE2 HIS A 33 6.910 -8.227 3.339 1.00 65.04 N ATOM 0 H HIS A 33 7.281 -3.781 3.739 1.00 12.01 H new ATOM 0 HA HIS A 33 8.801 -4.810 1.512 1.00 74.12 H new ATOM 0 HB2 HIS A 33 5.818 -4.354 1.919 1.00 5.55 H new ATOM 0 HB3 HIS A 33 6.529 -5.242 0.587 1.00 5.55 H new ATOM 0 HD2 HIS A 33 8.030 -7.635 1.550 1.00 70.33 H new ATOM 0 HE1 HIS A 33 5.525 -7.993 4.953 1.00 5.44 H new ATOM 0 HE2 HIS A 33 7.247 -9.176 3.499 1.00 65.04 H new ATOM 555 N ILE A 34 7.310 -1.857 1.261 1.00 15.14 N ATOM 556 CA ILE A 34 7.259 -0.672 0.415 1.00 24.20 C ATOM 557 C ILE A 34 8.657 -0.114 0.167 1.00 3.32 C ATOM 558 O ILE A 34 9.006 0.236 -0.961 1.00 24.44 O ATOM 559 CB ILE A 34 6.383 0.430 1.040 1.00 63.50 C ATOM 560 CG1 ILE A 34 5.053 -0.156 1.516 1.00 34.12 C ATOM 561 CG2 ILE A 34 6.147 1.550 0.038 1.00 35.12 C ATOM 562 CD1 ILE A 34 4.079 0.886 2.021 1.00 4.13 C ATOM 0 H ILE A 34 6.836 -1.755 2.159 1.00 15.14 H new ATOM 0 HA ILE A 34 6.819 -0.980 -0.533 1.00 24.20 H new ATOM 0 HB ILE A 34 6.905 0.845 1.902 1.00 63.50 H new ATOM 0 HG12 ILE A 34 4.592 -0.704 0.694 1.00 34.12 H new ATOM 0 HG13 ILE A 34 5.246 -0.876 2.311 1.00 34.12 H new ATOM 0 HG21 ILE A 34 5.526 2.321 0.494 1.00 35.12 H new ATOM 0 HG22 ILE A 34 7.103 1.981 -0.257 1.00 35.12 H new ATOM 0 HG23 ILE A 34 5.642 1.151 -0.842 1.00 35.12 H new ATOM 0 HD11 ILE A 34 3.158 0.398 2.342 1.00 4.13 H new ATOM 0 HD12 ILE A 34 4.520 1.418 2.864 1.00 4.13 H new ATOM 0 HD13 ILE A 34 3.856 1.593 1.222 1.00 4.13 H new ATOM 574 N VAL A 35 9.453 -0.034 1.228 1.00 24.04 N ATOM 575 CA VAL A 35 10.814 0.479 1.127 1.00 63.44 C ATOM 576 C VAL A 35 11.675 -0.419 0.243 1.00 72.12 C ATOM 577 O VAL A 35 12.460 0.065 -0.572 1.00 74.02 O ATOM 578 CB VAL A 35 11.475 0.600 2.513 1.00 74.21 C ATOM 579 CG1 VAL A 35 12.910 1.086 2.381 1.00 53.50 C ATOM 580 CG2 VAL A 35 10.667 1.529 3.407 1.00 41.20 C ATOM 0 H VAL A 35 9.179 -0.318 2.168 1.00 24.04 H new ATOM 0 HA VAL A 35 10.745 1.470 0.679 1.00 63.44 H new ATOM 0 HB VAL A 35 11.494 -0.387 2.975 1.00 74.21 H new ATOM 0 HG11 VAL A 35 13.360 1.165 3.371 1.00 53.50 H new ATOM 0 HG12 VAL A 35 13.480 0.378 1.779 1.00 53.50 H new ATOM 0 HG13 VAL A 35 12.920 2.063 1.899 1.00 53.50 H new ATOM 0 HG21 VAL A 35 11.147 1.604 4.383 1.00 41.20 H new ATOM 0 HG22 VAL A 35 10.615 2.518 2.951 1.00 41.20 H new ATOM 0 HG23 VAL A 35 9.659 1.132 3.528 1.00 41.20 H new ATOM 590 N TRP A 36 11.520 -1.727 0.411 1.00 22.42 N ATOM 591 CA TRP A 36 12.283 -2.694 -0.372 1.00 2.45 C ATOM 592 C TRP A 36 11.815 -2.710 -1.822 1.00 54.45 C ATOM 593 O TRP A 36 12.561 -3.097 -2.721 1.00 1.13 O ATOM 594 CB TRP A 36 12.152 -4.090 0.235 1.00 23.34 C ATOM 595 CG TRP A 36 12.812 -5.159 -0.583 1.00 54.11 C ATOM 596 CD1 TRP A 36 14.044 -5.710 -0.372 1.00 74.01 C ATOM 597 CD2 TRP A 36 12.275 -5.802 -1.743 1.00 61.43 C ATOM 598 NE1 TRP A 36 14.304 -6.658 -1.332 1.00 23.00 N ATOM 599 CE2 TRP A 36 13.235 -6.735 -2.184 1.00 54.42 C ATOM 600 CE3 TRP A 36 11.076 -5.685 -2.452 1.00 62.40 C ATOM 601 CZ2 TRP A 36 13.031 -7.540 -3.301 1.00 45.02 C ATOM 602 CZ3 TRP A 36 10.875 -6.486 -3.561 1.00 3.21 C ATOM 603 CH2 TRP A 36 11.849 -7.404 -3.976 1.00 51.14 C ATOM 0 H TRP A 36 10.874 -2.143 1.082 1.00 22.42 H new ATOM 0 HA TRP A 36 13.331 -2.395 -0.352 1.00 2.45 H new ATOM 0 HB2 TRP A 36 12.588 -4.086 1.234 1.00 23.34 H new ATOM 0 HB3 TRP A 36 11.095 -4.331 0.349 1.00 23.34 H new ATOM 0 HD1 TRP A 36 14.714 -5.440 0.431 1.00 74.01 H new ATOM 0 HE1 TRP A 36 15.156 -7.215 -1.399 1.00 23.00 H new ATOM 0 HE3 TRP A 36 10.319 -4.981 -2.139 1.00 62.40 H new ATOM 0 HZ2 TRP A 36 13.780 -8.248 -3.624 1.00 45.02 H new ATOM 0 HZ3 TRP A 36 9.952 -6.403 -4.116 1.00 3.21 H new ATOM 0 HH2 TRP A 36 11.663 -8.016 -4.846 1.00 51.14 H new ATOM 614 N ALA A 37 10.574 -2.287 -2.043 1.00 40.34 N ATOM 615 CA ALA A 37 10.007 -2.252 -3.386 1.00 23.23 C ATOM 616 C ALA A 37 10.556 -1.073 -4.183 1.00 55.32 C ATOM 617 O ALA A 37 10.969 -1.226 -5.332 1.00 15.13 O ATOM 618 CB ALA A 37 8.489 -2.183 -3.316 1.00 21.23 C ATOM 0 H ALA A 37 9.943 -1.964 -1.310 1.00 40.34 H new ATOM 0 HA ALA A 37 10.295 -3.169 -3.899 1.00 23.23 H new ATOM 0 HB1 ALA A 37 8.079 -2.157 -4.326 1.00 21.23 H new ATOM 0 HB2 ALA A 37 8.109 -3.060 -2.792 1.00 21.23 H new ATOM 0 HB3 ALA A 37 8.190 -1.282 -2.780 1.00 21.23 H new ATOM 624 N ALA A 38 10.555 0.104 -3.565 1.00 32.32 N ATOM 625 CA ALA A 38 11.055 1.309 -4.217 1.00 35.31 C ATOM 626 C ALA A 38 12.562 1.232 -4.433 1.00 52.20 C ATOM 627 O ALA A 38 13.072 1.659 -5.468 1.00 54.23 O ATOM 628 CB ALA A 38 10.699 2.539 -3.394 1.00 62.45 C ATOM 0 H ALA A 38 10.214 0.249 -2.615 1.00 32.32 H new ATOM 0 HA ALA A 38 10.579 1.388 -5.194 1.00 35.31 H new ATOM 0 HB1 ALA A 38 11.078 3.432 -3.891 1.00 62.45 H new ATOM 0 HB2 ALA A 38 9.616 2.610 -3.296 1.00 62.45 H new ATOM 0 HB3 ALA A 38 11.148 2.457 -2.404 1.00 62.45 H new ATOM 634 N ASN A 39 13.269 0.685 -3.450 1.00 62.41 N ATOM 635 CA ASN A 39 14.719 0.553 -3.532 1.00 54.55 C ATOM 636 C ASN A 39 15.121 -0.283 -4.745 1.00 13.44 C ATOM 637 O ASN A 39 16.087 0.035 -5.439 1.00 23.42 O ATOM 638 CB ASN A 39 15.269 -0.084 -2.255 1.00 75.30 C ATOM 639 CG ASN A 39 15.367 0.906 -1.111 1.00 51.11 C ATOM 640 OD1 ASN A 39 14.458 1.706 -0.888 1.00 34.02 O ATOM 641 ND2 ASN A 39 16.474 0.858 -0.380 1.00 23.55 N ATOM 0 H ASN A 39 12.861 0.326 -2.587 1.00 62.41 H new ATOM 0 HA ASN A 39 15.143 1.551 -3.643 1.00 54.55 H new ATOM 0 HB2 ASN A 39 14.626 -0.913 -1.960 1.00 75.30 H new ATOM 0 HB3 ASN A 39 16.256 -0.501 -2.456 1.00 75.30 H new ATOM 0 HD21 ASN A 39 16.597 1.501 0.402 1.00 23.55 H new ATOM 0 HD22 ASN A 39 17.202 0.178 -0.601 1.00 23.55 H new ATOM 648 N LYS A 40 14.371 -1.351 -4.995 1.00 5.14 N ATOM 649 CA LYS A 40 14.647 -2.233 -6.123 1.00 15.54 C ATOM 650 C LYS A 40 14.394 -1.516 -7.446 1.00 25.10 C ATOM 651 O LYS A 40 15.098 -1.745 -8.431 1.00 22.03 O ATOM 652 CB LYS A 40 13.780 -3.490 -6.037 1.00 72.14 C ATOM 653 CG LYS A 40 14.409 -4.609 -5.225 1.00 64.12 C ATOM 654 CD LYS A 40 15.659 -5.150 -5.897 1.00 45.40 C ATOM 655 CE LYS A 40 15.615 -6.666 -6.019 1.00 3.43 C ATOM 656 NZ LYS A 40 16.277 -7.334 -4.864 1.00 0.11 N ATOM 0 H LYS A 40 13.567 -1.627 -4.431 1.00 5.14 H new ATOM 0 HA LYS A 40 15.697 -2.521 -6.081 1.00 15.54 H new ATOM 0 HB2 LYS A 40 12.818 -3.228 -5.595 1.00 72.14 H new ATOM 0 HB3 LYS A 40 13.580 -3.853 -7.045 1.00 72.14 H new ATOM 0 HG2 LYS A 40 14.660 -4.241 -4.230 1.00 64.12 H new ATOM 0 HG3 LYS A 40 13.687 -5.415 -5.094 1.00 64.12 H new ATOM 0 HD2 LYS A 40 15.761 -4.707 -6.888 1.00 45.40 H new ATOM 0 HD3 LYS A 40 16.538 -4.855 -5.324 1.00 45.40 H new ATOM 0 HE2 LYS A 40 14.578 -6.995 -6.084 1.00 3.43 H new ATOM 0 HE3 LYS A 40 16.104 -6.970 -6.944 1.00 3.43 H new ATOM 0 HZ1 LYS A 40 15.784 -8.224 -4.648 1.00 0.11 H new ATOM 0 HZ2 LYS A 40 17.269 -7.537 -5.102 1.00 0.11 H new ATOM 0 HZ3 LYS A 40 16.241 -6.708 -4.034 1.00 0.11 H new ATOM 670 N LEU A 41 13.388 -0.650 -7.462 1.00 72.23 N ATOM 671 CA LEU A 41 13.044 0.101 -8.664 1.00 14.21 C ATOM 672 C LEU A 41 14.216 0.963 -9.123 1.00 13.33 C ATOM 673 O LEU A 41 14.680 0.844 -10.256 1.00 10.33 O ATOM 674 CB LEU A 41 11.819 0.980 -8.406 1.00 41.34 C ATOM 675 CG LEU A 41 10.481 0.250 -8.286 1.00 33.12 C ATOM 676 CD1 LEU A 41 9.430 1.160 -7.668 1.00 73.52 C ATOM 677 CD2 LEU A 41 10.022 -0.252 -9.646 1.00 72.13 C ATOM 0 H LEU A 41 12.796 -0.450 -6.656 1.00 72.23 H new ATOM 0 HA LEU A 41 12.812 -0.613 -9.454 1.00 14.21 H new ATOM 0 HB2 LEU A 41 11.987 1.542 -7.487 1.00 41.34 H new ATOM 0 HB3 LEU A 41 11.742 1.707 -9.214 1.00 41.34 H new ATOM 0 HG LEU A 41 10.617 -0.611 -7.632 1.00 33.12 H new ATOM 0 HD11 LEU A 41 8.484 0.623 -7.590 1.00 73.52 H new ATOM 0 HD12 LEU A 41 9.755 1.468 -6.674 1.00 73.52 H new ATOM 0 HD13 LEU A 41 9.297 2.041 -8.296 1.00 73.52 H new ATOM 0 HD21 LEU A 41 9.068 -0.769 -9.540 1.00 72.13 H new ATOM 0 HD22 LEU A 41 9.904 0.593 -10.325 1.00 72.13 H new ATOM 0 HD23 LEU A 41 10.765 -0.940 -10.049 1.00 72.13 H new ATOM 689 N ASP A 42 14.689 1.828 -8.234 1.00 10.24 N ATOM 690 CA ASP A 42 15.810 2.709 -8.544 1.00 61.02 C ATOM 691 C ASP A 42 16.985 1.914 -9.107 1.00 20.12 C ATOM 692 O ASP A 42 17.568 2.287 -10.125 1.00 33.53 O ATOM 693 CB ASP A 42 16.247 3.475 -7.295 1.00 51.12 C ATOM 694 CG ASP A 42 16.523 4.938 -7.580 1.00 12.00 C ATOM 695 OD1 ASP A 42 15.649 5.602 -8.178 1.00 62.21 O ATOM 696 OD2 ASP A 42 17.612 5.420 -7.204 1.00 54.33 O ATOM 0 H ASP A 42 14.314 1.939 -7.292 1.00 10.24 H new ATOM 0 HA ASP A 42 15.481 3.422 -9.300 1.00 61.02 H new ATOM 0 HB2 ASP A 42 15.471 3.396 -6.534 1.00 51.12 H new ATOM 0 HB3 ASP A 42 17.144 3.012 -6.884 1.00 51.12 H new ATOM 701 N ARG A 43 17.327 0.820 -8.434 1.00 64.15 N ATOM 702 CA ARG A 43 18.434 -0.026 -8.866 1.00 2.10 C ATOM 703 C ARG A 43 18.148 -0.643 -10.231 1.00 74.32 C ATOM 704 O ARG A 43 18.889 -0.426 -11.191 1.00 73.40 O ATOM 705 CB ARG A 43 18.690 -1.130 -7.838 1.00 64.55 C ATOM 706 CG ARG A 43 20.103 -1.125 -7.278 1.00 13.22 C ATOM 707 CD ARG A 43 20.367 -2.354 -6.422 1.00 43.35 C ATOM 708 NE ARG A 43 21.321 -2.080 -5.351 1.00 71.24 N ATOM 709 CZ ARG A 43 21.653 -2.966 -4.418 1.00 53.44 C ATOM 710 NH1 ARG A 43 21.112 -4.177 -4.426 1.00 12.50 N ATOM 711 NH2 ARG A 43 22.529 -2.643 -3.475 1.00 42.32 N ATOM 0 H ARG A 43 16.855 0.499 -7.589 1.00 64.15 H new ATOM 0 HA ARG A 43 19.324 0.598 -8.949 1.00 2.10 H new ATOM 0 HB2 ARG A 43 17.982 -1.021 -7.016 1.00 64.55 H new ATOM 0 HB3 ARG A 43 18.495 -2.098 -8.300 1.00 64.55 H new ATOM 0 HG2 ARG A 43 20.820 -1.090 -8.098 1.00 13.22 H new ATOM 0 HG3 ARG A 43 20.256 -0.225 -6.682 1.00 13.22 H new ATOM 0 HD2 ARG A 43 19.429 -2.704 -5.991 1.00 43.35 H new ATOM 0 HD3 ARG A 43 20.749 -3.158 -7.051 1.00 43.35 H new ATOM 0 HE ARG A 43 21.756 -1.158 -5.317 1.00 71.24 H new ATOM 0 HH11 ARG A 43 20.439 -4.430 -5.150 1.00 12.50 H new ATOM 0 HH12 ARG A 43 21.369 -4.855 -3.709 1.00 12.50 H new ATOM 0 HH21 ARG A 43 22.949 -1.713 -3.466 1.00 42.32 H new ATOM 0 HH22 ARG A 43 22.783 -3.324 -2.760 1.00 42.32 H new ATOM 725 N PHE A 44 17.068 -1.413 -10.312 1.00 34.13 N ATOM 726 CA PHE A 44 16.683 -2.063 -11.559 1.00 20.32 C ATOM 727 C PHE A 44 16.693 -1.068 -12.717 1.00 32.12 C ATOM 728 O PHE A 44 17.212 -1.357 -13.793 1.00 65.42 O ATOM 729 CB PHE A 44 15.295 -2.692 -11.425 1.00 23.33 C ATOM 730 CG PHE A 44 15.308 -4.034 -10.750 1.00 71.31 C ATOM 731 CD1 PHE A 44 16.152 -5.039 -11.194 1.00 34.04 C ATOM 732 CD2 PHE A 44 14.476 -4.291 -9.672 1.00 4.24 C ATOM 733 CE1 PHE A 44 16.165 -6.275 -10.575 1.00 1.13 C ATOM 734 CE2 PHE A 44 14.485 -5.524 -9.049 1.00 3.22 C ATOM 735 CZ PHE A 44 15.332 -6.517 -9.500 1.00 74.32 C ATOM 0 H PHE A 44 16.443 -1.602 -9.528 1.00 34.13 H new ATOM 0 HA PHE A 44 17.410 -2.847 -11.770 1.00 20.32 H new ATOM 0 HB2 PHE A 44 14.652 -2.017 -10.861 1.00 23.33 H new ATOM 0 HB3 PHE A 44 14.855 -2.797 -12.417 1.00 23.33 H new ATOM 0 HD1 PHE A 44 16.807 -4.855 -12.033 1.00 34.04 H new ATOM 0 HD2 PHE A 44 13.812 -3.518 -9.314 1.00 4.24 H new ATOM 0 HE1 PHE A 44 16.826 -7.051 -10.932 1.00 1.13 H new ATOM 0 HE2 PHE A 44 13.831 -5.711 -8.210 1.00 3.22 H new ATOM 0 HZ PHE A 44 15.343 -7.481 -9.013 1.00 74.32 H new ATOM 745 N GLY A 45 16.114 0.105 -12.485 1.00 55.53 N ATOM 746 CA GLY A 45 16.066 1.126 -13.516 1.00 70.02 C ATOM 747 C GLY A 45 14.748 1.873 -13.531 1.00 52.44 C ATOM 748 O GLY A 45 14.605 2.883 -14.223 1.00 73.21 O ATOM 0 H GLY A 45 15.677 0.367 -11.602 1.00 55.53 H new ATOM 0 HA2 GLY A 45 16.880 1.834 -13.360 1.00 70.02 H new ATOM 0 HA3 GLY A 45 16.229 0.663 -14.489 1.00 70.02 H new ATOM 752 N LEU A 46 13.780 1.378 -12.768 1.00 71.31 N ATOM 753 CA LEU A 46 12.464 2.005 -12.697 1.00 63.45 C ATOM 754 C LEU A 46 12.436 3.092 -11.628 1.00 2.42 C ATOM 755 O LEU A 46 13.326 3.166 -10.781 1.00 12.43 O ATOM 756 CB LEU A 46 11.392 0.955 -12.401 1.00 5.50 C ATOM 757 CG LEU A 46 10.852 0.188 -13.608 1.00 44.40 C ATOM 758 CD1 LEU A 46 10.811 -1.304 -13.318 1.00 75.53 C ATOM 759 CD2 LEU A 46 9.470 0.698 -13.990 1.00 21.33 C ATOM 0 H LEU A 46 13.881 0.544 -12.189 1.00 71.31 H new ATOM 0 HA LEU A 46 12.256 2.465 -13.663 1.00 63.45 H new ATOM 0 HB2 LEU A 46 11.803 0.235 -11.693 1.00 5.50 H new ATOM 0 HB3 LEU A 46 10.556 1.448 -11.906 1.00 5.50 H new ATOM 0 HG LEU A 46 11.524 0.355 -14.450 1.00 44.40 H new ATOM 0 HD11 LEU A 46 10.424 -1.833 -14.189 1.00 75.53 H new ATOM 0 HD12 LEU A 46 11.817 -1.659 -13.095 1.00 75.53 H new ATOM 0 HD13 LEU A 46 10.162 -1.491 -12.462 1.00 75.53 H new ATOM 0 HD21 LEU A 46 9.102 0.140 -14.851 1.00 21.33 H new ATOM 0 HD22 LEU A 46 8.787 0.563 -13.151 1.00 21.33 H new ATOM 0 HD23 LEU A 46 9.530 1.757 -14.242 1.00 21.33 H new ATOM 771 N ALA A 47 11.408 3.933 -11.672 1.00 71.34 N ATOM 772 CA ALA A 47 11.262 5.014 -10.706 1.00 31.24 C ATOM 773 C ALA A 47 10.229 4.662 -9.641 1.00 74.22 C ATOM 774 O ALA A 47 9.416 3.757 -9.828 1.00 10.13 O ATOM 775 CB ALA A 47 10.876 6.305 -11.412 1.00 32.24 C ATOM 0 H ALA A 47 10.663 3.886 -12.367 1.00 71.34 H new ATOM 0 HA ALA A 47 12.222 5.157 -10.211 1.00 31.24 H new ATOM 0 HB1 ALA A 47 10.770 7.104 -10.678 1.00 32.24 H new ATOM 0 HB2 ALA A 47 11.651 6.573 -12.130 1.00 32.24 H new ATOM 0 HB3 ALA A 47 9.930 6.165 -11.934 1.00 32.24 H new ATOM 781 N GLU A 48 10.268 5.381 -8.524 1.00 33.43 N ATOM 782 CA GLU A 48 9.335 5.142 -7.429 1.00 1.40 C ATOM 783 C GLU A 48 8.046 5.933 -7.631 1.00 34.33 C ATOM 784 O GLU A 48 7.049 5.700 -6.947 1.00 35.34 O ATOM 785 CB GLU A 48 9.976 5.522 -6.092 1.00 13.05 C ATOM 786 CG GLU A 48 10.242 7.010 -5.946 1.00 0.52 C ATOM 787 CD GLU A 48 11.113 7.332 -4.746 1.00 55.03 C ATOM 788 OE1 GLU A 48 11.857 6.436 -4.297 1.00 34.20 O ATOM 789 OE2 GLU A 48 11.050 8.480 -4.258 1.00 74.11 O ATOM 0 H GLU A 48 10.935 6.133 -8.353 1.00 33.43 H new ATOM 0 HA GLU A 48 9.091 4.080 -7.418 1.00 1.40 H new ATOM 0 HB2 GLU A 48 9.325 5.197 -5.281 1.00 13.05 H new ATOM 0 HB3 GLU A 48 10.916 4.981 -5.983 1.00 13.05 H new ATOM 0 HG2 GLU A 48 10.725 7.379 -6.851 1.00 0.52 H new ATOM 0 HG3 GLU A 48 9.293 7.538 -5.853 1.00 0.52 H new ATOM 796 N SER A 49 8.073 6.869 -8.573 1.00 64.14 N ATOM 797 CA SER A 49 6.909 7.696 -8.863 1.00 13.35 C ATOM 798 C SER A 49 5.802 6.871 -9.511 1.00 35.24 C ATOM 799 O SER A 49 4.664 7.325 -9.638 1.00 4.35 O ATOM 800 CB SER A 49 7.297 8.857 -9.781 1.00 1.14 C ATOM 801 OG SER A 49 6.769 10.083 -9.304 1.00 44.42 O ATOM 0 H SER A 49 8.889 7.074 -9.149 1.00 64.14 H new ATOM 0 HA SER A 49 6.536 8.095 -7.920 1.00 13.35 H new ATOM 0 HB2 SER A 49 8.383 8.926 -9.846 1.00 1.14 H new ATOM 0 HB3 SER A 49 6.929 8.666 -10.789 1.00 1.14 H new ATOM 0 HG SER A 49 7.032 10.809 -9.907 1.00 44.42 H new ATOM 807 N LEU A 50 6.142 5.653 -9.919 1.00 24.14 N ATOM 808 CA LEU A 50 5.179 4.761 -10.553 1.00 51.31 C ATOM 809 C LEU A 50 4.443 3.925 -9.512 1.00 14.23 C ATOM 810 O LEU A 50 3.528 3.168 -9.841 1.00 12.54 O ATOM 811 CB LEU A 50 5.885 3.844 -11.554 1.00 55.01 C ATOM 812 CG LEU A 50 6.824 4.530 -12.547 1.00 15.15 C ATOM 813 CD1 LEU A 50 7.582 3.497 -13.366 1.00 12.40 C ATOM 814 CD2 LEU A 50 6.043 5.468 -13.457 1.00 11.11 C ATOM 0 H LEU A 50 7.079 5.261 -9.822 1.00 24.14 H new ATOM 0 HA LEU A 50 4.449 5.373 -11.083 1.00 51.31 H new ATOM 0 HB2 LEU A 50 6.457 3.103 -10.996 1.00 55.01 H new ATOM 0 HB3 LEU A 50 5.126 3.302 -12.118 1.00 55.01 H new ATOM 0 HG LEU A 50 7.549 5.120 -11.986 1.00 15.15 H new ATOM 0 HD11 LEU A 50 8.245 4.004 -14.067 1.00 12.40 H new ATOM 0 HD12 LEU A 50 8.171 2.866 -12.700 1.00 12.40 H new ATOM 0 HD13 LEU A 50 6.874 2.880 -13.918 1.00 12.40 H new ATOM 0 HD21 LEU A 50 6.726 5.948 -14.157 1.00 11.11 H new ATOM 0 HD22 LEU A 50 5.296 4.899 -14.011 1.00 11.11 H new ATOM 0 HD23 LEU A 50 5.547 6.229 -12.855 1.00 11.11 H new ATOM 826 N LEU A 51 4.845 4.068 -8.254 1.00 24.13 N ATOM 827 CA LEU A 51 4.222 3.327 -7.162 1.00 12.51 C ATOM 828 C LEU A 51 3.014 4.080 -6.614 1.00 31.13 C ATOM 829 O LEU A 51 2.220 3.527 -5.853 1.00 22.41 O ATOM 830 CB LEU A 51 5.236 3.080 -6.043 1.00 53.21 C ATOM 831 CG LEU A 51 6.033 1.779 -6.134 1.00 60.02 C ATOM 832 CD1 LEU A 51 7.030 1.682 -4.989 1.00 73.14 C ATOM 833 CD2 LEU A 51 5.097 0.579 -6.132 1.00 61.43 C ATOM 0 H LEU A 51 5.600 4.690 -7.964 1.00 24.13 H new ATOM 0 HA LEU A 51 3.882 2.368 -7.553 1.00 12.51 H new ATOM 0 HB2 LEU A 51 5.939 3.913 -6.027 1.00 53.21 H new ATOM 0 HB3 LEU A 51 4.706 3.092 -5.091 1.00 53.21 H new ATOM 0 HG LEU A 51 6.588 1.780 -7.072 1.00 60.02 H new ATOM 0 HD11 LEU A 51 7.588 0.749 -5.071 1.00 73.14 H new ATOM 0 HD12 LEU A 51 7.721 2.524 -5.036 1.00 73.14 H new ATOM 0 HD13 LEU A 51 6.496 1.703 -4.039 1.00 73.14 H new ATOM 0 HD21 LEU A 51 5.682 -0.339 -6.197 1.00 61.43 H new ATOM 0 HD22 LEU A 51 4.515 0.573 -5.211 1.00 61.43 H new ATOM 0 HD23 LEU A 51 4.423 0.642 -6.987 1.00 61.43 H new ATOM 845 N GLU A 52 2.882 5.343 -7.006 1.00 1.35 N ATOM 846 CA GLU A 52 1.770 6.170 -6.554 1.00 32.14 C ATOM 847 C GLU A 52 0.880 6.574 -7.726 1.00 71.30 C ATOM 848 O GLU A 52 0.174 7.581 -7.665 1.00 73.45 O ATOM 849 CB GLU A 52 2.291 7.420 -5.842 1.00 10.44 C ATOM 850 CG GLU A 52 3.223 8.264 -6.696 1.00 72.34 C ATOM 851 CD GLU A 52 3.189 9.732 -6.321 1.00 43.32 C ATOM 852 OE1 GLU A 52 2.787 10.044 -5.180 1.00 64.51 O ATOM 853 OE2 GLU A 52 3.564 10.570 -7.167 1.00 2.22 O ATOM 0 H GLU A 52 3.531 5.816 -7.635 1.00 1.35 H new ATOM 0 HA GLU A 52 1.176 5.582 -5.854 1.00 32.14 H new ATOM 0 HB2 GLU A 52 1.443 8.031 -5.532 1.00 10.44 H new ATOM 0 HB3 GLU A 52 2.816 7.119 -4.935 1.00 10.44 H new ATOM 0 HG2 GLU A 52 4.242 7.890 -6.593 1.00 72.34 H new ATOM 0 HG3 GLU A 52 2.947 8.154 -7.745 1.00 72.34 H new ATOM 860 N SER A 53 0.920 5.780 -8.792 1.00 20.21 N ATOM 861 CA SER A 53 0.121 6.056 -9.980 1.00 42.44 C ATOM 862 C SER A 53 -0.355 4.759 -10.629 1.00 24.43 C ATOM 863 O SER A 53 0.452 3.928 -11.046 1.00 1.40 O ATOM 864 CB SER A 53 0.931 6.875 -10.987 1.00 0.32 C ATOM 865 OG SER A 53 0.551 6.569 -12.316 1.00 64.45 O ATOM 0 H SER A 53 1.497 4.941 -8.857 1.00 20.21 H new ATOM 0 HA SER A 53 -0.753 6.631 -9.673 1.00 42.44 H new ATOM 0 HB2 SER A 53 0.783 7.938 -10.799 1.00 0.32 H new ATOM 0 HB3 SER A 53 1.994 6.673 -10.854 1.00 0.32 H new ATOM 0 HG SER A 53 1.082 7.107 -12.940 1.00 64.45 H new ATOM 871 N LYS A 54 -1.670 4.593 -10.709 1.00 32.21 N ATOM 872 CA LYS A 54 -2.255 3.398 -11.306 1.00 54.21 C ATOM 873 C LYS A 54 -1.678 3.146 -12.696 1.00 22.44 C ATOM 874 O LYS A 54 -1.383 2.008 -13.057 1.00 25.22 O ATOM 875 CB LYS A 54 -3.777 3.540 -11.394 1.00 12.25 C ATOM 876 CG LYS A 54 -4.520 2.223 -11.246 1.00 41.53 C ATOM 877 CD LYS A 54 -5.579 2.058 -12.324 1.00 24.25 C ATOM 878 CE LYS A 54 -6.624 3.159 -12.252 1.00 0.50 C ATOM 879 NZ LYS A 54 -7.678 2.993 -13.291 1.00 70.01 N ATOM 0 H LYS A 54 -2.352 5.271 -10.368 1.00 32.21 H new ATOM 0 HA LYS A 54 -2.011 2.548 -10.670 1.00 54.21 H new ATOM 0 HB2 LYS A 54 -4.115 4.227 -10.618 1.00 12.25 H new ATOM 0 HB3 LYS A 54 -4.037 3.989 -12.353 1.00 12.25 H new ATOM 0 HG2 LYS A 54 -3.812 1.396 -11.300 1.00 41.53 H new ATOM 0 HG3 LYS A 54 -4.989 2.177 -10.263 1.00 41.53 H new ATOM 0 HD2 LYS A 54 -5.105 2.068 -13.306 1.00 24.25 H new ATOM 0 HD3 LYS A 54 -6.063 1.088 -12.214 1.00 24.25 H new ATOM 0 HE2 LYS A 54 -7.085 3.158 -11.264 1.00 0.50 H new ATOM 0 HE3 LYS A 54 -6.140 4.128 -12.377 1.00 0.50 H new ATOM 0 HZ1 LYS A 54 -8.371 3.764 -13.208 1.00 70.01 H new ATOM 0 HZ2 LYS A 54 -7.242 3.019 -14.235 1.00 70.01 H new ATOM 0 HZ3 LYS A 54 -8.157 2.080 -13.156 1.00 70.01 H new ATOM 893 N GLU A 55 -1.517 4.215 -13.468 1.00 13.41 N ATOM 894 CA GLU A 55 -0.973 4.108 -14.817 1.00 10.15 C ATOM 895 C GLU A 55 0.500 3.712 -14.780 1.00 12.22 C ATOM 896 O GLU A 55 0.986 3.002 -15.659 1.00 61.22 O ATOM 897 CB GLU A 55 -1.137 5.434 -15.564 1.00 74.24 C ATOM 898 CG GLU A 55 -2.437 5.533 -16.347 1.00 3.53 C ATOM 899 CD GLU A 55 -2.759 6.956 -16.762 1.00 11.22 C ATOM 900 OE1 GLU A 55 -3.061 7.779 -15.873 1.00 1.33 O ATOM 901 OE2 GLU A 55 -2.709 7.247 -17.975 1.00 63.41 O ATOM 0 H GLU A 55 -1.755 5.165 -13.183 1.00 13.41 H new ATOM 0 HA GLU A 55 -1.527 3.331 -15.344 1.00 10.15 H new ATOM 0 HB2 GLU A 55 -1.091 6.254 -14.847 1.00 74.24 H new ATOM 0 HB3 GLU A 55 -0.299 5.562 -16.249 1.00 74.24 H new ATOM 0 HG2 GLU A 55 -2.371 4.905 -17.236 1.00 3.53 H new ATOM 0 HG3 GLU A 55 -3.253 5.141 -15.740 1.00 3.53 H new ATOM 908 N GLY A 56 1.207 4.179 -13.754 1.00 71.12 N ATOM 909 CA GLY A 56 2.617 3.864 -13.621 1.00 14.42 C ATOM 910 C GLY A 56 2.854 2.420 -13.226 1.00 74.23 C ATOM 911 O GLY A 56 3.596 1.700 -13.897 1.00 52.02 O ATOM 0 H GLY A 56 0.828 4.769 -13.014 1.00 71.12 H new ATOM 0 HA2 GLY A 56 3.122 4.067 -14.565 1.00 14.42 H new ATOM 0 HA3 GLY A 56 3.064 4.520 -12.874 1.00 14.42 H new ATOM 915 N CYS A 57 2.225 1.996 -12.136 1.00 64.33 N ATOM 916 CA CYS A 57 2.373 0.628 -11.652 1.00 62.35 C ATOM 917 C CYS A 57 2.001 -0.377 -12.738 1.00 25.23 C ATOM 918 O CYS A 57 2.493 -1.505 -12.747 1.00 23.02 O ATOM 919 CB CYS A 57 1.503 0.405 -10.415 1.00 21.32 C ATOM 920 SG CYS A 57 2.424 0.385 -8.859 1.00 14.42 S ATOM 0 H CYS A 57 1.608 2.579 -11.571 1.00 64.33 H new ATOM 0 HA CYS A 57 3.418 0.476 -11.384 1.00 62.35 H new ATOM 0 HB2 CYS A 57 0.749 1.190 -10.368 1.00 21.32 H new ATOM 0 HB3 CYS A 57 0.972 -0.541 -10.523 1.00 21.32 H new ATOM 0 HG CYS A 57 2.257 -0.762 -8.271 1.00 14.42 H new ATOM 926 N GLN A 58 1.129 0.041 -13.648 1.00 73.45 N ATOM 927 CA GLN A 58 0.689 -0.824 -14.738 1.00 32.53 C ATOM 928 C GLN A 58 1.802 -1.023 -15.759 1.00 44.35 C ATOM 929 O GLN A 58 1.909 -2.080 -16.381 1.00 3.51 O ATOM 930 CB GLN A 58 -0.546 -0.233 -15.420 1.00 30.35 C ATOM 931 CG GLN A 58 -1.437 -1.275 -16.076 1.00 30.34 C ATOM 932 CD GLN A 58 -2.362 -0.680 -17.118 1.00 64.51 C ATOM 933 OE1 GLN A 58 -2.258 0.499 -17.456 1.00 51.40 O ATOM 934 NE2 GLN A 58 -3.274 -1.495 -17.636 1.00 1.00 N ATOM 0 H GLN A 58 0.713 0.972 -13.654 1.00 73.45 H new ATOM 0 HA GLN A 58 0.432 -1.795 -14.315 1.00 32.53 H new ATOM 0 HB2 GLN A 58 -1.129 0.319 -14.682 1.00 30.35 H new ATOM 0 HB3 GLN A 58 -0.225 0.485 -16.175 1.00 30.35 H new ATOM 0 HG2 GLN A 58 -0.814 -2.038 -16.542 1.00 30.34 H new ATOM 0 HG3 GLN A 58 -2.032 -1.773 -15.310 1.00 30.34 H new ATOM 0 HE21 GLN A 58 -3.325 -2.466 -17.327 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -3.923 -1.150 -18.343 1.00 1.00 H new ATOM 943 N LYS A 59 2.631 0.002 -15.930 1.00 5.45 N ATOM 944 CA LYS A 59 3.740 -0.058 -16.876 1.00 14.11 C ATOM 945 C LYS A 59 4.866 -0.936 -16.340 1.00 10.42 C ATOM 946 O LYS A 59 5.767 -1.326 -17.082 1.00 44.10 O ATOM 947 CB LYS A 59 4.268 1.349 -17.165 1.00 72.24 C ATOM 948 CG LYS A 59 4.112 1.771 -18.616 1.00 62.43 C ATOM 949 CD LYS A 59 4.804 3.096 -18.889 1.00 21.42 C ATOM 950 CE LYS A 59 6.147 2.894 -19.574 1.00 54.22 C ATOM 951 NZ LYS A 59 6.403 3.934 -20.609 1.00 63.42 N ATOM 0 H LYS A 59 2.556 0.885 -15.425 1.00 5.45 H new ATOM 0 HA LYS A 59 3.371 -0.498 -17.803 1.00 14.11 H new ATOM 0 HB2 LYS A 59 3.743 2.062 -16.529 1.00 72.24 H new ATOM 0 HB3 LYS A 59 5.323 1.395 -16.893 1.00 72.24 H new ATOM 0 HG2 LYS A 59 4.528 1.002 -19.266 1.00 62.43 H new ATOM 0 HG3 LYS A 59 3.053 1.856 -18.859 1.00 62.43 H new ATOM 0 HD2 LYS A 59 4.165 3.719 -19.515 1.00 21.42 H new ATOM 0 HD3 LYS A 59 4.950 3.631 -17.951 1.00 21.42 H new ATOM 0 HE2 LYS A 59 6.942 2.919 -18.829 1.00 54.22 H new ATOM 0 HE3 LYS A 59 6.174 1.907 -20.036 1.00 54.22 H new ATOM 0 HZ1 LYS A 59 7.328 3.762 -21.053 1.00 63.42 H new ATOM 0 HZ2 LYS A 59 5.658 3.893 -21.334 1.00 63.42 H new ATOM 0 HZ3 LYS A 59 6.402 4.874 -20.164 1.00 63.42 H new ATOM 965 N ILE A 60 4.807 -1.242 -15.048 1.00 62.05 N ATOM 966 CA ILE A 60 5.821 -2.075 -14.415 1.00 21.12 C ATOM 967 C ILE A 60 5.454 -3.552 -14.504 1.00 64.34 C ATOM 968 O ILE A 60 6.302 -4.398 -14.797 1.00 15.54 O ATOM 969 CB ILE A 60 6.018 -1.696 -12.935 1.00 14.30 C ATOM 970 CG1 ILE A 60 6.143 -0.178 -12.787 1.00 54.41 C ATOM 971 CG2 ILE A 60 7.246 -2.391 -12.368 1.00 12.52 C ATOM 972 CD1 ILE A 60 6.206 0.287 -11.349 1.00 22.01 C ATOM 0 H ILE A 60 4.068 -0.926 -14.420 1.00 62.05 H new ATOM 0 HA ILE A 60 6.752 -1.901 -14.954 1.00 21.12 H new ATOM 0 HB ILE A 60 5.145 -2.027 -12.372 1.00 14.30 H new ATOM 0 HG12 ILE A 60 7.040 0.157 -13.308 1.00 54.41 H new ATOM 0 HG13 ILE A 60 5.293 0.298 -13.277 1.00 54.41 H new ATOM 0 HG21 ILE A 60 7.371 -2.113 -11.322 1.00 12.52 H new ATOM 0 HG22 ILE A 60 7.120 -3.471 -12.444 1.00 12.52 H new ATOM 0 HG23 ILE A 60 8.128 -2.088 -12.932 1.00 12.52 H new ATOM 0 HD11 ILE A 60 6.294 1.373 -11.321 1.00 22.01 H new ATOM 0 HD12 ILE A 60 5.298 -0.017 -10.828 1.00 22.01 H new ATOM 0 HD13 ILE A 60 7.072 -0.160 -10.860 1.00 22.01 H new ATOM 984 N LEU A 61 4.186 -3.857 -14.252 1.00 14.11 N ATOM 985 CA LEU A 61 3.705 -5.233 -14.307 1.00 31.54 C ATOM 986 C LEU A 61 3.859 -5.809 -15.711 1.00 14.15 C ATOM 987 O LEU A 61 3.997 -7.020 -15.886 1.00 31.13 O ATOM 988 CB LEU A 61 2.239 -5.299 -13.874 1.00 13.12 C ATOM 989 CG LEU A 61 1.895 -4.597 -12.560 1.00 12.10 C ATOM 990 CD1 LEU A 61 0.493 -4.008 -12.620 1.00 45.44 C ATOM 991 CD2 LEU A 61 2.019 -5.563 -11.391 1.00 5.42 C ATOM 0 H LEU A 61 3.472 -3.170 -14.008 1.00 14.11 H new ATOM 0 HA LEU A 61 4.307 -5.830 -13.622 1.00 31.54 H new ATOM 0 HB2 LEU A 61 1.627 -4.865 -14.665 1.00 13.12 H new ATOM 0 HB3 LEU A 61 1.953 -6.347 -13.788 1.00 13.12 H new ATOM 0 HG LEU A 61 2.603 -3.782 -12.410 1.00 12.10 H new ATOM 0 HD11 LEU A 61 0.266 -3.512 -11.676 1.00 45.44 H new ATOM 0 HD12 LEU A 61 0.437 -3.284 -13.433 1.00 45.44 H new ATOM 0 HD13 LEU A 61 -0.229 -4.805 -12.794 1.00 45.44 H new ATOM 0 HD21 LEU A 61 1.771 -5.046 -10.464 1.00 5.42 H new ATOM 0 HD22 LEU A 61 1.334 -6.399 -11.535 1.00 5.42 H new ATOM 0 HD23 LEU A 61 3.041 -5.937 -11.335 1.00 5.42 H new ATOM 1003 N THR A 62 3.835 -4.933 -16.710 1.00 25.20 N ATOM 1004 CA THR A 62 3.973 -5.353 -18.099 1.00 23.05 C ATOM 1005 C THR A 62 5.384 -5.860 -18.382 1.00 74.23 C ATOM 1006 O THR A 62 5.580 -6.743 -19.217 1.00 53.54 O ATOM 1007 CB THR A 62 3.650 -4.202 -19.069 1.00 40.33 C ATOM 1008 OG1 THR A 62 3.353 -4.725 -20.369 1.00 63.21 O ATOM 1009 CG2 THR A 62 4.815 -3.229 -19.162 1.00 45.24 C ATOM 0 H THR A 62 3.721 -3.927 -16.583 1.00 25.20 H new ATOM 0 HA THR A 62 3.260 -6.162 -18.257 1.00 23.05 H new ATOM 0 HB THR A 62 2.781 -3.667 -18.686 1.00 40.33 H new ATOM 0 HG1 THR A 62 2.994 -4.010 -20.935 1.00 63.21 H new ATOM 0 HG21 THR A 62 4.563 -2.425 -19.853 1.00 45.24 H new ATOM 0 HG22 THR A 62 5.019 -2.810 -18.177 1.00 45.24 H new ATOM 0 HG23 THR A 62 5.699 -3.754 -19.523 1.00 45.24 H new ATOM 1017 N VAL A 63 6.362 -5.297 -17.680 1.00 62.23 N ATOM 1018 CA VAL A 63 7.754 -5.694 -17.856 1.00 33.31 C ATOM 1019 C VAL A 63 8.117 -6.850 -16.930 1.00 52.35 C ATOM 1020 O VAL A 63 8.892 -7.734 -17.297 1.00 42.32 O ATOM 1021 CB VAL A 63 8.711 -4.517 -17.588 1.00 33.13 C ATOM 1022 CG1 VAL A 63 10.159 -4.968 -17.706 1.00 2.22 C ATOM 1023 CG2 VAL A 63 8.422 -3.369 -18.543 1.00 2.34 C ATOM 0 H VAL A 63 6.216 -4.565 -16.985 1.00 62.23 H new ATOM 0 HA VAL A 63 7.864 -6.014 -18.892 1.00 33.31 H new ATOM 0 HB VAL A 63 8.548 -4.163 -16.570 1.00 33.13 H new ATOM 0 HG11 VAL A 63 10.820 -4.123 -17.513 1.00 2.22 H new ATOM 0 HG12 VAL A 63 10.355 -5.756 -16.978 1.00 2.22 H new ATOM 0 HG13 VAL A 63 10.341 -5.349 -18.711 1.00 2.22 H new ATOM 0 HG21 VAL A 63 9.107 -2.546 -18.340 1.00 2.34 H new ATOM 0 HG22 VAL A 63 8.556 -3.708 -19.570 1.00 2.34 H new ATOM 0 HG23 VAL A 63 7.396 -3.030 -18.404 1.00 2.34 H new ATOM 1033 N LEU A 64 7.550 -6.838 -15.728 1.00 71.45 N ATOM 1034 CA LEU A 64 7.813 -7.887 -14.748 1.00 51.55 C ATOM 1035 C LEU A 64 6.990 -9.135 -15.053 1.00 50.12 C ATOM 1036 O LEU A 64 7.313 -10.230 -14.593 1.00 71.53 O ATOM 1037 CB LEU A 64 7.497 -7.385 -13.339 1.00 20.20 C ATOM 1038 CG LEU A 64 8.433 -6.312 -12.782 1.00 44.03 C ATOM 1039 CD1 LEU A 64 7.819 -5.651 -11.558 1.00 4.45 C ATOM 1040 CD2 LEU A 64 9.791 -6.911 -12.444 1.00 74.33 C ATOM 0 H LEU A 64 6.906 -6.114 -15.409 1.00 71.45 H new ATOM 0 HA LEU A 64 8.870 -8.148 -14.805 1.00 51.55 H new ATOM 0 HB2 LEU A 64 6.481 -6.990 -13.335 1.00 20.20 H new ATOM 0 HB3 LEU A 64 7.510 -8.238 -12.660 1.00 20.20 H new ATOM 0 HG LEU A 64 8.576 -5.549 -13.547 1.00 44.03 H new ATOM 0 HD11 LEU A 64 8.499 -4.890 -11.175 1.00 4.45 H new ATOM 0 HD12 LEU A 64 6.872 -5.186 -11.832 1.00 4.45 H new ATOM 0 HD13 LEU A 64 7.645 -6.402 -10.788 1.00 4.45 H new ATOM 0 HD21 LEU A 64 10.444 -6.133 -12.049 1.00 74.33 H new ATOM 0 HD22 LEU A 64 9.667 -7.695 -11.697 1.00 74.33 H new ATOM 0 HD23 LEU A 64 10.236 -7.335 -13.344 1.00 74.33 H new ATOM 1052 N ASP A 65 5.928 -8.962 -15.831 1.00 55.32 N ATOM 1053 CA ASP A 65 5.061 -10.074 -16.201 1.00 15.23 C ATOM 1054 C ASP A 65 5.866 -11.203 -16.836 1.00 23.10 C ATOM 1055 O ASP A 65 5.914 -12.325 -16.331 1.00 61.52 O ATOM 1056 CB ASP A 65 3.971 -9.602 -17.165 1.00 63.12 C ATOM 1057 CG ASP A 65 2.615 -9.491 -16.497 1.00 31.53 C ATOM 1058 OD1 ASP A 65 2.274 -10.387 -15.697 1.00 14.22 O ATOM 1059 OD2 ASP A 65 1.894 -8.510 -16.775 1.00 43.34 O ATOM 0 H ASP A 65 5.646 -8.061 -16.218 1.00 55.32 H new ATOM 0 HA ASP A 65 4.591 -10.453 -15.293 1.00 15.23 H new ATOM 0 HB2 ASP A 65 4.250 -8.632 -17.577 1.00 63.12 H new ATOM 0 HB3 ASP A 65 3.905 -10.297 -18.002 1.00 63.12 H new ATOM 1064 N PRO A 66 6.513 -10.902 -17.972 1.00 23.15 N ATOM 1065 CA PRO A 66 7.328 -11.879 -18.701 1.00 13.31 C ATOM 1066 C PRO A 66 8.606 -12.241 -17.953 1.00 23.31 C ATOM 1067 O PRO A 66 9.337 -13.147 -18.357 1.00 13.54 O ATOM 1068 CB PRO A 66 7.660 -11.157 -20.009 1.00 4.34 C ATOM 1069 CG PRO A 66 7.577 -9.707 -19.673 1.00 55.32 C ATOM 1070 CD PRO A 66 6.500 -9.585 -18.630 1.00 4.12 C ATOM 0 HA PRO A 66 6.804 -12.824 -18.841 1.00 13.31 H new ATOM 0 HB2 PRO A 66 8.654 -11.424 -20.367 1.00 4.34 H new ATOM 0 HB3 PRO A 66 6.955 -11.422 -20.797 1.00 4.34 H new ATOM 0 HG2 PRO A 66 8.531 -9.339 -19.294 1.00 55.32 H new ATOM 0 HG3 PRO A 66 7.335 -9.115 -20.556 1.00 55.32 H new ATOM 0 HD2 PRO A 66 6.712 -8.781 -17.925 1.00 4.12 H new ATOM 0 HD3 PRO A 66 5.530 -9.369 -19.077 1.00 4.12 H new ATOM 1078 N MET A 67 8.870 -11.530 -16.862 1.00 42.22 N ATOM 1079 CA MET A 67 10.060 -11.780 -16.057 1.00 42.21 C ATOM 1080 C MET A 67 9.766 -12.787 -14.950 1.00 3.34 C ATOM 1081 O MET A 67 10.679 -13.398 -14.395 1.00 30.14 O ATOM 1082 CB MET A 67 10.575 -10.473 -15.451 1.00 1.21 C ATOM 1083 CG MET A 67 11.063 -9.473 -16.486 1.00 61.02 C ATOM 1084 SD MET A 67 12.721 -9.851 -17.087 1.00 41.52 S ATOM 1085 CE MET A 67 13.449 -8.214 -17.123 1.00 53.01 C ATOM 0 H MET A 67 8.276 -10.777 -16.515 1.00 42.22 H new ATOM 0 HA MET A 67 10.828 -12.198 -16.708 1.00 42.21 H new ATOM 0 HB2 MET A 67 9.779 -10.016 -14.864 1.00 1.21 H new ATOM 0 HB3 MET A 67 11.390 -10.698 -14.763 1.00 1.21 H new ATOM 0 HG2 MET A 67 10.370 -9.459 -17.327 1.00 61.02 H new ATOM 0 HG3 MET A 67 11.057 -8.473 -16.051 1.00 61.02 H new ATOM 0 HE1 MET A 67 14.478 -8.281 -17.475 1.00 53.01 H new ATOM 0 HE2 MET A 67 12.876 -7.576 -17.796 1.00 53.01 H new ATOM 0 HE3 MET A 67 13.436 -7.788 -16.120 1.00 53.01 H new ATOM 1095 N VAL A 68 8.486 -12.953 -14.631 1.00 61.02 N ATOM 1096 CA VAL A 68 8.072 -13.887 -13.591 1.00 2.44 C ATOM 1097 C VAL A 68 8.406 -15.323 -13.976 1.00 72.42 C ATOM 1098 O VAL A 68 9.129 -16.029 -13.272 1.00 72.35 O ATOM 1099 CB VAL A 68 6.562 -13.779 -13.309 1.00 74.53 C ATOM 1100 CG1 VAL A 68 6.015 -15.111 -12.816 1.00 13.13 C ATOM 1101 CG2 VAL A 68 6.284 -12.673 -12.303 1.00 60.34 C ATOM 0 H VAL A 68 7.718 -12.453 -15.078 1.00 61.02 H new ATOM 0 HA VAL A 68 8.622 -13.620 -12.689 1.00 2.44 H new ATOM 0 HB VAL A 68 6.054 -13.526 -14.239 1.00 74.53 H new ATOM 0 HG11 VAL A 68 4.947 -15.016 -12.622 1.00 13.13 H new ATOM 0 HG12 VAL A 68 6.179 -15.875 -13.576 1.00 13.13 H new ATOM 0 HG13 VAL A 68 6.527 -15.397 -11.897 1.00 13.13 H new ATOM 0 HG21 VAL A 68 5.212 -12.612 -12.116 1.00 60.34 H new ATOM 0 HG22 VAL A 68 6.803 -12.891 -11.370 1.00 60.34 H new ATOM 0 HG23 VAL A 68 6.638 -11.722 -12.701 1.00 60.34 H new ATOM 1111 N PRO A 69 7.869 -15.768 -15.122 1.00 21.52 N ATOM 1112 CA PRO A 69 8.096 -17.125 -15.628 1.00 4.32 C ATOM 1113 C PRO A 69 9.530 -17.332 -16.105 1.00 71.05 C ATOM 1114 O PRO A 69 9.884 -18.405 -16.595 1.00 21.42 O ATOM 1115 CB PRO A 69 7.121 -17.234 -16.803 1.00 12.22 C ATOM 1116 CG PRO A 69 6.909 -15.829 -17.250 1.00 1.04 C ATOM 1117 CD PRO A 69 6.998 -14.982 -16.011 1.00 50.21 C ATOM 0 HA PRO A 69 7.940 -17.879 -14.857 1.00 4.32 H new ATOM 0 HB2 PRO A 69 7.534 -17.847 -17.605 1.00 12.22 H new ATOM 0 HB3 PRO A 69 6.183 -17.698 -16.498 1.00 12.22 H new ATOM 0 HG2 PRO A 69 7.663 -15.534 -17.980 1.00 1.04 H new ATOM 0 HG3 PRO A 69 5.938 -15.715 -17.732 1.00 1.04 H new ATOM 0 HD2 PRO A 69 7.422 -14.001 -16.225 1.00 50.21 H new ATOM 0 HD3 PRO A 69 6.017 -14.815 -15.567 1.00 50.21 H new ATOM 1125 N THR A 70 10.354 -16.299 -15.959 1.00 13.12 N ATOM 1126 CA THR A 70 11.748 -16.367 -16.375 1.00 61.33 C ATOM 1127 C THR A 70 12.589 -15.318 -15.658 1.00 20.44 C ATOM 1128 O THR A 70 13.238 -14.488 -16.292 1.00 52.24 O ATOM 1129 CB THR A 70 11.890 -16.171 -17.897 1.00 22.31 C ATOM 1130 OG1 THR A 70 10.732 -16.680 -18.567 1.00 31.24 O ATOM 1131 CG2 THR A 70 13.135 -16.873 -18.419 1.00 62.22 C ATOM 0 H THR A 70 10.078 -15.404 -15.555 1.00 13.12 H new ATOM 0 HA THR A 70 12.109 -17.360 -16.108 1.00 61.33 H new ATOM 0 HB THR A 70 11.984 -15.104 -18.097 1.00 22.31 H new ATOM 0 HG1 THR A 70 10.830 -16.550 -19.533 1.00 31.24 H new ATOM 0 HG21 THR A 70 13.214 -16.721 -19.495 1.00 62.22 H new ATOM 0 HG22 THR A 70 14.017 -16.462 -17.928 1.00 62.22 H new ATOM 0 HG23 THR A 70 13.067 -17.940 -18.208 1.00 62.22 H new ATOM 1139 N GLY A 71 12.574 -15.362 -14.329 1.00 12.10 N ATOM 1140 CA GLY A 71 13.339 -14.408 -13.547 1.00 31.01 C ATOM 1141 C GLY A 71 13.750 -14.963 -12.197 1.00 12.11 C ATOM 1142 O GLY A 71 13.390 -16.086 -11.845 1.00 10.13 O ATOM 0 H GLY A 71 12.046 -16.041 -13.780 1.00 12.10 H new ATOM 0 HA2 GLY A 71 14.230 -14.118 -14.104 1.00 31.01 H new ATOM 0 HA3 GLY A 71 12.747 -13.505 -13.400 1.00 31.01 H new ATOM 1146 N SER A 72 14.507 -14.176 -11.441 1.00 4.42 N ATOM 1147 CA SER A 72 14.973 -14.596 -10.125 1.00 14.05 C ATOM 1148 C SER A 72 13.958 -14.227 -9.046 1.00 64.03 C ATOM 1149 O SER A 72 12.912 -13.648 -9.336 1.00 42.25 O ATOM 1150 CB SER A 72 16.325 -13.955 -9.809 1.00 53.11 C ATOM 1151 OG SER A 72 16.177 -12.582 -9.491 1.00 11.24 O ATOM 0 H SER A 72 14.811 -13.243 -11.717 1.00 4.42 H new ATOM 0 HA SER A 72 15.088 -15.680 -10.137 1.00 14.05 H new ATOM 0 HB2 SER A 72 16.792 -14.477 -8.974 1.00 53.11 H new ATOM 0 HB3 SER A 72 16.991 -14.063 -10.665 1.00 53.11 H new ATOM 0 HG SER A 72 17.055 -12.196 -9.291 1.00 11.24 H new ATOM 1157 N GLU A 73 14.276 -14.568 -7.801 1.00 60.25 N ATOM 1158 CA GLU A 73 13.392 -14.273 -6.680 1.00 21.51 C ATOM 1159 C GLU A 73 13.390 -12.781 -6.366 1.00 0.45 C ATOM 1160 O GLU A 73 12.394 -12.238 -5.890 1.00 4.34 O ATOM 1161 CB GLU A 73 13.822 -15.065 -5.442 1.00 73.31 C ATOM 1162 CG GLU A 73 13.817 -16.571 -5.651 1.00 35.01 C ATOM 1163 CD GLU A 73 13.825 -17.341 -4.345 1.00 15.44 C ATOM 1164 OE1 GLU A 73 13.624 -16.713 -3.284 1.00 3.00 O ATOM 1165 OE2 GLU A 73 14.030 -18.571 -4.383 1.00 64.43 O ATOM 0 H GLU A 73 15.138 -15.048 -7.544 1.00 60.25 H new ATOM 0 HA GLU A 73 12.381 -14.569 -6.960 1.00 21.51 H new ATOM 0 HB2 GLU A 73 14.824 -14.750 -5.150 1.00 73.31 H new ATOM 0 HB3 GLU A 73 13.157 -14.819 -4.614 1.00 73.31 H new ATOM 0 HG2 GLU A 73 12.936 -16.851 -6.228 1.00 35.01 H new ATOM 0 HG3 GLU A 73 14.688 -16.855 -6.241 1.00 35.01 H new ATOM 1172 N ASN A 74 14.513 -12.124 -6.637 1.00 42.41 N ATOM 1173 CA ASN A 74 14.642 -10.693 -6.383 1.00 32.42 C ATOM 1174 C ASN A 74 13.705 -9.894 -7.284 1.00 2.41 C ATOM 1175 O ASN A 74 13.438 -8.718 -7.033 1.00 45.12 O ATOM 1176 CB ASN A 74 16.087 -10.243 -6.604 1.00 5.42 C ATOM 1177 CG ASN A 74 16.972 -10.527 -5.405 1.00 32.03 C ATOM 1178 OD1 ASN A 74 16.484 -10.874 -4.328 1.00 54.15 O ATOM 1179 ND2 ASN A 74 18.279 -10.380 -5.585 1.00 71.54 N ATOM 0 H ASN A 74 15.347 -12.559 -7.032 1.00 42.41 H new ATOM 0 HA ASN A 74 14.365 -10.507 -5.345 1.00 32.42 H new ATOM 0 HB2 ASN A 74 16.493 -10.750 -7.479 1.00 5.42 H new ATOM 0 HB3 ASN A 74 16.103 -9.174 -6.819 1.00 5.42 H new ATOM 0 HD21 ASN A 74 18.923 -10.556 -4.814 1.00 71.54 H new ATOM 0 HD22 ASN A 74 18.639 -10.091 -6.494 1.00 71.54 H new ATOM 1186 N LEU A 75 13.210 -10.540 -8.333 1.00 54.14 N ATOM 1187 CA LEU A 75 12.302 -9.890 -9.272 1.00 43.13 C ATOM 1188 C LEU A 75 10.850 -10.233 -8.952 1.00 42.30 C ATOM 1189 O LEU A 75 9.998 -9.348 -8.863 1.00 73.31 O ATOM 1190 CB LEU A 75 12.632 -10.312 -10.706 1.00 3.34 C ATOM 1191 CG LEU A 75 11.677 -9.811 -11.789 1.00 41.30 C ATOM 1192 CD1 LEU A 75 12.455 -9.207 -12.949 1.00 53.20 C ATOM 1193 CD2 LEU A 75 10.782 -10.941 -12.276 1.00 40.34 C ATOM 0 H LEU A 75 13.422 -11.513 -8.555 1.00 54.14 H new ATOM 0 HA LEU A 75 12.432 -8.812 -9.177 1.00 43.13 H new ATOM 0 HB2 LEU A 75 13.636 -9.962 -10.945 1.00 3.34 H new ATOM 0 HB3 LEU A 75 12.656 -11.401 -10.747 1.00 3.34 H new ATOM 0 HG LEU A 75 11.045 -9.034 -11.358 1.00 41.30 H new ATOM 0 HD11 LEU A 75 11.759 -8.856 -13.710 1.00 53.20 H new ATOM 0 HD12 LEU A 75 13.052 -8.369 -12.589 1.00 53.20 H new ATOM 0 HD13 LEU A 75 13.112 -9.963 -13.379 1.00 53.20 H new ATOM 0 HD21 LEU A 75 10.109 -10.566 -13.047 1.00 40.34 H new ATOM 0 HD22 LEU A 75 11.397 -11.740 -12.689 1.00 40.34 H new ATOM 0 HD23 LEU A 75 10.198 -11.328 -11.441 1.00 40.34 H new ATOM 1205 N LYS A 76 10.576 -11.520 -8.777 1.00 21.54 N ATOM 1206 CA LYS A 76 9.229 -11.981 -8.462 1.00 61.33 C ATOM 1207 C LYS A 76 8.656 -11.213 -7.276 1.00 14.01 C ATOM 1208 O LYS A 76 7.499 -10.791 -7.298 1.00 1.53 O ATOM 1209 CB LYS A 76 9.239 -13.480 -8.155 1.00 50.01 C ATOM 1210 CG LYS A 76 9.833 -14.325 -9.270 1.00 1.53 C ATOM 1211 CD LYS A 76 10.408 -15.626 -8.737 1.00 32.44 C ATOM 1212 CE LYS A 76 9.351 -16.718 -8.673 1.00 75.43 C ATOM 1213 NZ LYS A 76 8.411 -16.514 -7.537 1.00 12.15 N ATOM 0 H LYS A 76 11.270 -12.264 -8.848 1.00 21.54 H new ATOM 0 HA LYS A 76 8.597 -11.799 -9.331 1.00 61.33 H new ATOM 0 HB2 LYS A 76 9.805 -13.651 -7.240 1.00 50.01 H new ATOM 0 HB3 LYS A 76 8.218 -13.810 -7.965 1.00 50.01 H new ATOM 0 HG2 LYS A 76 9.065 -14.543 -10.012 1.00 1.53 H new ATOM 0 HG3 LYS A 76 10.616 -13.761 -9.778 1.00 1.53 H new ATOM 0 HD2 LYS A 76 11.230 -15.950 -9.376 1.00 32.44 H new ATOM 0 HD3 LYS A 76 10.823 -15.461 -7.743 1.00 32.44 H new ATOM 0 HE2 LYS A 76 8.792 -16.737 -9.608 1.00 75.43 H new ATOM 0 HE3 LYS A 76 9.837 -17.688 -8.572 1.00 75.43 H new ATOM 0 HZ1 LYS A 76 8.025 -17.432 -7.237 1.00 12.15 H new ATOM 0 HZ2 LYS A 76 8.917 -16.075 -6.742 1.00 12.15 H new ATOM 0 HZ3 LYS A 76 7.633 -15.893 -7.837 1.00 12.15 H new ATOM 1227 N SER A 77 9.471 -11.034 -6.242 1.00 34.01 N ATOM 1228 CA SER A 77 9.042 -10.318 -5.045 1.00 44.51 C ATOM 1229 C SER A 77 8.555 -8.915 -5.396 1.00 62.33 C ATOM 1230 O SER A 77 7.504 -8.476 -4.928 1.00 30.11 O ATOM 1231 CB SER A 77 10.191 -10.233 -4.038 1.00 43.11 C ATOM 1232 OG SER A 77 10.128 -11.295 -3.102 1.00 63.42 O ATOM 0 H SER A 77 10.432 -11.374 -6.208 1.00 34.01 H new ATOM 0 HA SER A 77 8.215 -10.870 -4.598 1.00 44.51 H new ATOM 0 HB2 SER A 77 11.144 -10.265 -4.566 1.00 43.11 H new ATOM 0 HB3 SER A 77 10.149 -9.279 -3.513 1.00 43.11 H new ATOM 0 HG SER A 77 10.874 -11.219 -2.471 1.00 63.42 H new ATOM 1238 N LEU A 78 9.325 -8.219 -6.224 1.00 42.35 N ATOM 1239 CA LEU A 78 8.973 -6.865 -6.640 1.00 43.20 C ATOM 1240 C LEU A 78 7.690 -6.866 -7.464 1.00 54.33 C ATOM 1241 O LEU A 78 6.883 -5.940 -7.376 1.00 0.40 O ATOM 1242 CB LEU A 78 10.113 -6.246 -7.451 1.00 30.12 C ATOM 1243 CG LEU A 78 9.813 -4.902 -8.114 1.00 15.52 C ATOM 1244 CD1 LEU A 78 9.679 -3.808 -7.067 1.00 21.23 C ATOM 1245 CD2 LEU A 78 10.897 -4.550 -9.121 1.00 0.42 C ATOM 0 H LEU A 78 10.197 -8.569 -6.621 1.00 42.35 H new ATOM 0 HA LEU A 78 8.808 -6.267 -5.744 1.00 43.20 H new ATOM 0 HB2 LEU A 78 10.973 -6.120 -6.793 1.00 30.12 H new ATOM 0 HB3 LEU A 78 10.406 -6.954 -8.227 1.00 30.12 H new ATOM 0 HG LEU A 78 8.865 -4.985 -8.646 1.00 15.52 H new ATOM 0 HD11 LEU A 78 9.466 -2.859 -7.558 1.00 21.23 H new ATOM 0 HD12 LEU A 78 8.865 -4.055 -6.385 1.00 21.23 H new ATOM 0 HD13 LEU A 78 10.610 -3.725 -6.506 1.00 21.23 H new ATOM 0 HD21 LEU A 78 10.667 -3.590 -9.583 1.00 0.42 H new ATOM 0 HD22 LEU A 78 11.859 -4.486 -8.613 1.00 0.42 H new ATOM 0 HD23 LEU A 78 10.943 -5.321 -9.890 1.00 0.42 H new ATOM 1257 N PHE A 79 7.505 -7.911 -8.263 1.00 64.53 N ATOM 1258 CA PHE A 79 6.319 -8.033 -9.101 1.00 51.15 C ATOM 1259 C PHE A 79 5.068 -8.227 -8.250 1.00 53.33 C ATOM 1260 O PHE A 79 4.108 -7.465 -8.356 1.00 54.34 O ATOM 1261 CB PHE A 79 6.474 -9.204 -10.074 1.00 61.40 C ATOM 1262 CG PHE A 79 5.214 -9.534 -10.822 1.00 51.43 C ATOM 1263 CD1 PHE A 79 4.722 -8.673 -11.791 1.00 34.13 C ATOM 1264 CD2 PHE A 79 4.521 -10.703 -10.557 1.00 14.12 C ATOM 1265 CE1 PHE A 79 3.563 -8.972 -12.481 1.00 22.12 C ATOM 1266 CE2 PHE A 79 3.361 -11.009 -11.244 1.00 55.43 C ATOM 1267 CZ PHE A 79 2.881 -10.142 -12.206 1.00 41.41 C ATOM 0 H PHE A 79 8.162 -8.686 -8.348 1.00 64.53 H new ATOM 0 HA PHE A 79 6.210 -7.109 -9.669 1.00 51.15 H new ATOM 0 HB2 PHE A 79 7.261 -8.969 -10.790 1.00 61.40 H new ATOM 0 HB3 PHE A 79 6.800 -10.085 -9.521 1.00 61.40 H new ATOM 0 HD1 PHE A 79 5.251 -7.757 -12.009 1.00 34.13 H new ATOM 0 HD2 PHE A 79 4.891 -11.384 -9.805 1.00 14.12 H new ATOM 0 HE1 PHE A 79 3.191 -8.293 -13.234 1.00 22.12 H new ATOM 0 HE2 PHE A 79 2.831 -11.925 -11.029 1.00 55.43 H new ATOM 0 HZ PHE A 79 1.974 -10.378 -12.743 1.00 41.41 H new ATOM 1277 N ASN A 80 5.088 -9.253 -7.405 1.00 41.01 N ATOM 1278 CA ASN A 80 3.955 -9.548 -6.535 1.00 74.43 C ATOM 1279 C ASN A 80 3.510 -8.301 -5.779 1.00 3.24 C ATOM 1280 O ASN A 80 2.329 -8.136 -5.468 1.00 21.35 O ATOM 1281 CB ASN A 80 4.322 -10.655 -5.545 1.00 34.21 C ATOM 1282 CG ASN A 80 3.821 -12.017 -5.989 1.00 3.21 C ATOM 1283 OD1 ASN A 80 3.947 -12.386 -7.157 1.00 33.30 O ATOM 1284 ND2 ASN A 80 3.251 -12.770 -5.056 1.00 72.30 N ATOM 0 H ASN A 80 5.875 -9.893 -7.304 1.00 41.01 H new ATOM 0 HA ASN A 80 3.128 -9.886 -7.159 1.00 74.43 H new ATOM 0 HB2 ASN A 80 5.405 -10.690 -5.428 1.00 34.21 H new ATOM 0 HB3 ASN A 80 3.903 -10.418 -4.567 1.00 34.21 H new ATOM 0 HD21 ASN A 80 2.896 -13.696 -5.295 1.00 72.30 H new ATOM 0 HD22 ASN A 80 3.168 -12.423 -4.101 1.00 72.30 H new ATOM 1291 N THR A 81 4.463 -7.421 -5.485 1.00 70.24 N ATOM 1292 CA THR A 81 4.171 -6.189 -4.764 1.00 41.52 C ATOM 1293 C THR A 81 3.483 -5.174 -5.670 1.00 12.21 C ATOM 1294 O THR A 81 2.498 -4.546 -5.280 1.00 35.21 O ATOM 1295 CB THR A 81 5.451 -5.558 -4.186 1.00 23.42 C ATOM 1296 OG1 THR A 81 6.286 -6.576 -3.620 1.00 33.10 O ATOM 1297 CG2 THR A 81 5.114 -4.524 -3.124 1.00 71.22 C ATOM 0 H THR A 81 5.445 -7.540 -5.736 1.00 70.24 H new ATOM 0 HA THR A 81 3.504 -6.453 -3.944 1.00 41.52 H new ATOM 0 HB THR A 81 5.983 -5.061 -4.997 1.00 23.42 H new ATOM 0 HG1 THR A 81 6.754 -7.052 -4.338 1.00 33.10 H new ATOM 0 HG21 THR A 81 6.035 -4.093 -2.731 1.00 71.22 H new ATOM 0 HG22 THR A 81 4.503 -3.736 -3.564 1.00 71.22 H new ATOM 0 HG23 THR A 81 4.562 -5.001 -2.314 1.00 71.22 H new ATOM 1305 N VAL A 82 4.006 -5.016 -6.881 1.00 3.40 N ATOM 1306 CA VAL A 82 3.441 -4.077 -7.843 1.00 32.21 C ATOM 1307 C VAL A 82 1.981 -4.403 -8.135 1.00 61.44 C ATOM 1308 O VAL A 82 1.175 -3.509 -8.396 1.00 63.13 O ATOM 1309 CB VAL A 82 4.232 -4.083 -9.164 1.00 43.13 C ATOM 1310 CG1 VAL A 82 3.640 -3.083 -10.146 1.00 13.34 C ATOM 1311 CG2 VAL A 82 5.702 -3.784 -8.907 1.00 73.44 C ATOM 0 H VAL A 82 4.821 -5.527 -7.220 1.00 3.40 H new ATOM 0 HA VAL A 82 3.506 -3.086 -7.395 1.00 32.21 H new ATOM 0 HB VAL A 82 4.159 -5.077 -9.606 1.00 43.13 H new ATOM 0 HG11 VAL A 82 4.212 -3.102 -11.074 1.00 13.34 H new ATOM 0 HG12 VAL A 82 2.603 -3.347 -10.354 1.00 13.34 H new ATOM 0 HG13 VAL A 82 3.680 -2.083 -9.715 1.00 13.34 H new ATOM 0 HG21 VAL A 82 6.246 -3.792 -9.852 1.00 73.44 H new ATOM 0 HG22 VAL A 82 5.798 -2.803 -8.442 1.00 73.44 H new ATOM 0 HG23 VAL A 82 6.117 -4.542 -8.243 1.00 73.44 H new ATOM 1321 N CYS A 83 1.647 -5.688 -8.090 1.00 14.13 N ATOM 1322 CA CYS A 83 0.282 -6.133 -8.351 1.00 0.15 C ATOM 1323 C CYS A 83 -0.681 -5.567 -7.313 1.00 52.42 C ATOM 1324 O CYS A 83 -1.828 -5.245 -7.627 1.00 63.20 O ATOM 1325 CB CYS A 83 0.213 -7.661 -8.348 1.00 1.12 C ATOM 1326 SG CYS A 83 1.143 -8.444 -9.687 1.00 15.21 S ATOM 0 H CYS A 83 2.302 -6.440 -7.875 1.00 14.13 H new ATOM 0 HA CYS A 83 -0.013 -5.765 -9.334 1.00 0.15 H new ATOM 0 HB2 CYS A 83 0.590 -8.029 -7.394 1.00 1.12 H new ATOM 0 HB3 CYS A 83 -0.831 -7.967 -8.417 1.00 1.12 H new ATOM 0 HG CYS A 83 2.416 -8.258 -9.498 1.00 15.21 H new ATOM 1332 N VAL A 84 -0.210 -5.448 -6.077 1.00 24.10 N ATOM 1333 CA VAL A 84 -1.030 -4.921 -4.992 1.00 42.21 C ATOM 1334 C VAL A 84 -1.142 -3.403 -5.076 1.00 51.53 C ATOM 1335 O VAL A 84 -2.236 -2.858 -5.230 1.00 23.31 O ATOM 1336 CB VAL A 84 -0.457 -5.306 -3.616 1.00 22.41 C ATOM 1337 CG1 VAL A 84 -1.255 -4.649 -2.501 1.00 52.44 C ATOM 1338 CG2 VAL A 84 -0.441 -6.819 -3.451 1.00 3.52 C ATOM 0 H VAL A 84 0.736 -5.710 -5.801 1.00 24.10 H new ATOM 0 HA VAL A 84 -2.020 -5.363 -5.101 1.00 42.21 H new ATOM 0 HB VAL A 84 0.570 -4.945 -3.556 1.00 22.41 H new ATOM 0 HG11 VAL A 84 -0.835 -4.933 -1.536 1.00 52.44 H new ATOM 0 HG12 VAL A 84 -1.210 -3.566 -2.611 1.00 52.44 H new ATOM 0 HG13 VAL A 84 -2.293 -4.977 -2.555 1.00 52.44 H new ATOM 0 HG21 VAL A 84 -0.033 -7.074 -2.473 1.00 3.52 H new ATOM 0 HG22 VAL A 84 -1.457 -7.205 -3.532 1.00 3.52 H new ATOM 0 HG23 VAL A 84 0.179 -7.263 -4.230 1.00 3.52 H new ATOM 1348 N ILE A 85 -0.003 -2.725 -4.976 1.00 12.32 N ATOM 1349 CA ILE A 85 0.026 -1.268 -5.042 1.00 64.43 C ATOM 1350 C ILE A 85 -0.880 -0.750 -6.154 1.00 51.13 C ATOM 1351 O ILE A 85 -1.548 0.272 -5.998 1.00 52.43 O ATOM 1352 CB ILE A 85 1.455 -0.745 -5.275 1.00 4.24 C ATOM 1353 CG1 ILE A 85 2.357 -1.119 -4.096 1.00 72.02 C ATOM 1354 CG2 ILE A 85 1.441 0.763 -5.478 1.00 51.14 C ATOM 1355 CD1 ILE A 85 2.132 -0.266 -2.868 1.00 3.12 C ATOM 0 H ILE A 85 0.911 -3.160 -4.849 1.00 12.32 H new ATOM 0 HA ILE A 85 -0.335 -0.901 -4.081 1.00 64.43 H new ATOM 0 HB ILE A 85 1.853 -1.211 -6.176 1.00 4.24 H new ATOM 0 HG12 ILE A 85 2.189 -2.165 -3.838 1.00 72.02 H new ATOM 0 HG13 ILE A 85 3.399 -1.030 -4.404 1.00 72.02 H new ATOM 0 HG21 ILE A 85 2.459 1.118 -5.641 1.00 51.14 H new ATOM 0 HG22 ILE A 85 0.828 1.008 -6.345 1.00 51.14 H new ATOM 0 HG23 ILE A 85 1.027 1.245 -4.593 1.00 51.14 H new ATOM 0 HD11 ILE A 85 2.805 -0.588 -2.073 1.00 3.12 H new ATOM 0 HD12 ILE A 85 2.329 0.779 -3.110 1.00 3.12 H new ATOM 0 HD13 ILE A 85 1.100 -0.373 -2.535 1.00 3.12 H new ATOM 1367 N TRP A 86 -0.898 -1.463 -7.275 1.00 74.22 N ATOM 1368 CA TRP A 86 -1.725 -1.076 -8.413 1.00 3.41 C ATOM 1369 C TRP A 86 -3.206 -1.139 -8.056 1.00 64.34 C ATOM 1370 O TRP A 86 -3.947 -0.179 -8.272 1.00 3.14 O ATOM 1371 CB TRP A 86 -1.437 -1.983 -9.610 1.00 42.14 C ATOM 1372 CG TRP A 86 -2.224 -1.621 -10.833 1.00 15.42 C ATOM 1373 CD1 TRP A 86 -1.830 -0.797 -11.848 1.00 52.51 C ATOM 1374 CD2 TRP A 86 -3.543 -2.070 -11.167 1.00 2.11 C ATOM 1375 NE1 TRP A 86 -2.824 -0.705 -12.792 1.00 63.21 N ATOM 1376 CE2 TRP A 86 -3.884 -1.478 -12.399 1.00 3.12 C ATOM 1377 CE3 TRP A 86 -4.466 -2.916 -10.546 1.00 50.42 C ATOM 1378 CZ2 TRP A 86 -5.110 -1.706 -13.019 1.00 1.14 C ATOM 1379 CZ3 TRP A 86 -5.682 -3.140 -11.163 1.00 70.12 C ATOM 1380 CH2 TRP A 86 -5.995 -2.538 -12.389 1.00 41.00 C ATOM 0 H TRP A 86 -0.350 -2.311 -7.420 1.00 74.22 H new ATOM 0 HA TRP A 86 -1.478 -0.048 -8.677 1.00 3.41 H new ATOM 0 HB2 TRP A 86 -0.373 -1.937 -9.844 1.00 42.14 H new ATOM 0 HB3 TRP A 86 -1.658 -3.015 -9.337 1.00 42.14 H new ATOM 0 HD1 TRP A 86 -0.877 -0.292 -11.901 1.00 52.51 H new ATOM 0 HE1 TRP A 86 -2.780 -0.151 -13.647 1.00 63.21 H new ATOM 0 HE3 TRP A 86 -4.233 -3.386 -9.602 1.00 50.42 H new ATOM 0 HZ2 TRP A 86 -5.354 -1.243 -13.964 1.00 1.14 H new ATOM 0 HZ3 TRP A 86 -6.404 -3.791 -10.692 1.00 70.12 H new ATOM 0 HH2 TRP A 86 -6.954 -2.735 -12.846 1.00 41.00 H new ATOM 1391 N CYS A 87 -3.631 -2.273 -7.511 1.00 53.14 N ATOM 1392 CA CYS A 87 -5.026 -2.460 -7.126 1.00 62.52 C ATOM 1393 C CYS A 87 -5.513 -1.299 -6.265 1.00 62.41 C ATOM 1394 O CYS A 87 -6.569 -0.723 -6.524 1.00 52.03 O ATOM 1395 CB CYS A 87 -5.194 -3.779 -6.368 1.00 42.33 C ATOM 1396 SG CYS A 87 -5.432 -5.218 -7.436 1.00 64.25 S ATOM 0 H CYS A 87 -3.031 -3.077 -7.326 1.00 53.14 H new ATOM 0 HA CYS A 87 -5.627 -2.491 -8.034 1.00 62.52 H new ATOM 0 HB2 CYS A 87 -4.314 -3.943 -5.746 1.00 42.33 H new ATOM 0 HB3 CYS A 87 -6.048 -3.693 -5.696 1.00 42.33 H new ATOM 0 HG CYS A 87 -5.199 -4.885 -8.671 1.00 64.25 H new ATOM 1402 N ILE A 88 -4.736 -0.964 -5.240 1.00 34.42 N ATOM 1403 CA ILE A 88 -5.090 0.128 -4.341 1.00 21.41 C ATOM 1404 C ILE A 88 -5.534 1.360 -5.121 1.00 53.41 C ATOM 1405 O ILE A 88 -6.395 2.117 -4.670 1.00 33.41 O ATOM 1406 CB ILE A 88 -3.909 0.509 -3.428 1.00 1.01 C ATOM 1407 CG1 ILE A 88 -3.480 -0.692 -2.583 1.00 42.03 C ATOM 1408 CG2 ILE A 88 -4.287 1.683 -2.537 1.00 71.12 C ATOM 1409 CD1 ILE A 88 -2.130 -0.516 -1.926 1.00 21.14 C ATOM 0 H ILE A 88 -3.859 -1.432 -5.012 1.00 34.42 H new ATOM 0 HA ILE A 88 -5.917 -0.225 -3.724 1.00 21.41 H new ATOM 0 HB ILE A 88 -3.067 0.808 -4.053 1.00 1.01 H new ATOM 0 HG12 ILE A 88 -4.230 -0.870 -1.812 1.00 42.03 H new ATOM 0 HG13 ILE A 88 -3.455 -1.580 -3.215 1.00 42.03 H new ATOM 0 HG21 ILE A 88 -3.443 1.941 -1.897 1.00 71.12 H new ATOM 0 HG22 ILE A 88 -4.548 2.541 -3.157 1.00 71.12 H new ATOM 0 HG23 ILE A 88 -5.141 1.409 -1.918 1.00 71.12 H new ATOM 0 HD11 ILE A 88 -1.890 -1.405 -1.343 1.00 21.14 H new ATOM 0 HD12 ILE A 88 -1.369 -0.368 -2.692 1.00 21.14 H new ATOM 0 HD13 ILE A 88 -2.156 0.353 -1.268 1.00 21.14 H new ATOM 1421 N HIS A 89 -4.942 1.557 -6.294 1.00 70.12 N ATOM 1422 CA HIS A 89 -5.278 2.697 -7.140 1.00 53.04 C ATOM 1423 C HIS A 89 -6.467 2.372 -8.040 1.00 51.42 C ATOM 1424 O HIS A 89 -7.262 3.282 -8.277 1.00 1.31 O ATOM 1425 CB HIS A 89 -4.075 3.100 -7.992 1.00 64.04 C ATOM 1426 CG HIS A 89 -2.899 3.562 -7.187 1.00 62.12 C ATOM 1427 ND1 HIS A 89 -2.958 4.621 -6.307 1.00 51.34 N ATOM 1428 CD2 HIS A 89 -1.627 3.101 -7.133 1.00 30.31 C ATOM 1429 CE1 HIS A 89 -1.774 4.792 -5.747 1.00 75.40 C ATOM 1430 NE2 HIS A 89 -0.949 3.881 -6.230 1.00 41.22 N ATOM 0 H HIS A 89 -4.226 0.942 -6.681 1.00 70.12 H new ATOM 0 HA HIS A 89 -5.550 3.531 -6.493 1.00 53.04 H new ATOM 0 HB2 HIS A 89 -3.774 2.251 -8.606 1.00 64.04 H new ATOM 0 HB3 HIS A 89 -4.373 3.896 -8.674 1.00 64.04 H new ATOM 0 HD2 HIS A 89 -1.221 2.273 -7.696 1.00 30.31 H new ATOM 0 HE1 HIS A 89 -1.523 5.548 -5.018 1.00 75.40 H new ATOM 0 HE2 HIS A 89 0.032 3.774 -5.974 1.00 41.22 H new ATOM 1438 N ALA A 90 -6.606 1.145 -8.530 1.00 50.12 N ATOM 1439 CA ALA A 90 -7.726 0.788 -9.392 1.00 41.50 C ATOM 1440 C ALA A 90 -8.979 0.497 -8.572 1.00 61.31 C ATOM 1441 O ALA A 90 -10.039 0.208 -9.125 1.00 72.21 O ATOM 1442 CB ALA A 90 -7.366 -0.413 -10.255 1.00 53.20 C ATOM 0 H ALA A 90 -5.956 0.381 -8.345 1.00 50.12 H new ATOM 0 HA ALA A 90 -7.938 1.637 -10.041 1.00 41.50 H new ATOM 0 HB1 ALA A 90 -8.211 -0.669 -10.894 1.00 53.20 H new ATOM 0 HB2 ALA A 90 -6.503 -0.170 -10.875 1.00 53.20 H new ATOM 0 HB3 ALA A 90 -7.125 -1.262 -9.615 1.00 53.20 H new ATOM 1448 N GLU A 91 -8.847 0.575 -7.251 1.00 63.20 N ATOM 1449 CA GLU A 91 -9.969 0.318 -6.357 1.00 21.04 C ATOM 1450 C GLU A 91 -10.437 -1.130 -6.473 1.00 14.13 C ATOM 1451 O GLU A 91 -11.611 -1.394 -6.730 1.00 31.23 O ATOM 1452 CB GLU A 91 -11.128 1.267 -6.670 1.00 22.20 C ATOM 1453 CG GLU A 91 -10.720 2.729 -6.725 1.00 65.41 C ATOM 1454 CD GLU A 91 -11.898 3.656 -6.953 1.00 31.11 C ATOM 1455 OE1 GLU A 91 -13.040 3.156 -7.025 1.00 64.22 O ATOM 1456 OE2 GLU A 91 -11.679 4.881 -7.058 1.00 25.23 O ATOM 0 H GLU A 91 -7.976 0.814 -6.778 1.00 63.20 H new ATOM 0 HA GLU A 91 -9.633 0.492 -5.335 1.00 21.04 H new ATOM 0 HB2 GLU A 91 -11.569 0.985 -7.626 1.00 22.20 H new ATOM 0 HB3 GLU A 91 -11.903 1.143 -5.913 1.00 22.20 H new ATOM 0 HG2 GLU A 91 -10.225 2.999 -5.792 1.00 65.41 H new ATOM 0 HG3 GLU A 91 -9.992 2.869 -7.524 1.00 65.41 H new ATOM 1463 N GLU A 92 -9.509 -2.063 -6.282 1.00 51.43 N ATOM 1464 CA GLU A 92 -9.826 -3.483 -6.367 1.00 74.34 C ATOM 1465 C GLU A 92 -9.595 -4.174 -5.026 1.00 54.12 C ATOM 1466 O GLU A 92 -8.467 -4.248 -4.539 1.00 52.31 O ATOM 1467 CB GLU A 92 -8.979 -4.154 -7.451 1.00 33.42 C ATOM 1468 CG GLU A 92 -9.448 -3.851 -8.864 1.00 72.22 C ATOM 1469 CD GLU A 92 -10.671 -4.657 -9.258 1.00 44.13 C ATOM 1470 OE1 GLU A 92 -11.691 -4.578 -8.542 1.00 23.12 O ATOM 1471 OE2 GLU A 92 -10.607 -5.367 -10.284 1.00 42.43 O ATOM 0 H GLU A 92 -8.533 -1.861 -6.068 1.00 51.43 H new ATOM 0 HA GLU A 92 -10.880 -3.578 -6.628 1.00 74.34 H new ATOM 0 HB2 GLU A 92 -7.944 -3.830 -7.344 1.00 33.42 H new ATOM 0 HB3 GLU A 92 -8.994 -5.233 -7.296 1.00 33.42 H new ATOM 0 HG2 GLU A 92 -9.676 -2.788 -8.947 1.00 72.22 H new ATOM 0 HG3 GLU A 92 -8.639 -4.060 -9.564 1.00 72.22 H new ATOM 1478 N LYS A 93 -10.673 -4.678 -4.434 1.00 0.13 N ATOM 1479 CA LYS A 93 -10.590 -5.363 -3.150 1.00 21.15 C ATOM 1480 C LYS A 93 -9.898 -6.714 -3.297 1.00 34.05 C ATOM 1481 O LYS A 93 -10.389 -7.601 -3.995 1.00 73.23 O ATOM 1482 CB LYS A 93 -11.990 -5.555 -2.560 1.00 25.54 C ATOM 1483 CG LYS A 93 -12.571 -4.293 -1.947 1.00 30.55 C ATOM 1484 CD LYS A 93 -13.786 -4.600 -1.086 1.00 25.45 C ATOM 1485 CE LYS A 93 -15.043 -3.954 -1.646 1.00 62.41 C ATOM 1486 NZ LYS A 93 -14.959 -2.467 -1.627 1.00 61.23 N ATOM 0 H LYS A 93 -11.614 -4.625 -4.823 1.00 0.13 H new ATOM 0 HA LYS A 93 -9.999 -4.745 -2.474 1.00 21.15 H new ATOM 0 HB2 LYS A 93 -12.660 -5.910 -3.344 1.00 25.54 H new ATOM 0 HB3 LYS A 93 -11.950 -6.334 -1.798 1.00 25.54 H new ATOM 0 HG2 LYS A 93 -11.811 -3.798 -1.342 1.00 30.55 H new ATOM 0 HG3 LYS A 93 -12.851 -3.598 -2.739 1.00 30.55 H new ATOM 0 HD2 LYS A 93 -13.927 -5.679 -1.025 1.00 25.45 H new ATOM 0 HD3 LYS A 93 -13.613 -4.243 -0.071 1.00 25.45 H new ATOM 0 HE2 LYS A 93 -15.202 -4.296 -2.669 1.00 62.41 H new ATOM 0 HE3 LYS A 93 -15.907 -4.276 -1.064 1.00 62.41 H new ATOM 0 HZ1 LYS A 93 -15.918 -2.065 -1.652 1.00 61.23 H new ATOM 0 HZ2 LYS A 93 -14.476 -2.158 -0.759 1.00 61.23 H new ATOM 0 HZ3 LYS A 93 -14.424 -2.139 -2.457 1.00 61.23 H new ATOM 1500 N VAL A 94 -8.756 -6.864 -2.633 1.00 73.31 N ATOM 1501 CA VAL A 94 -7.998 -8.109 -2.689 1.00 30.31 C ATOM 1502 C VAL A 94 -7.550 -8.542 -1.297 1.00 53.41 C ATOM 1503 O VAL A 94 -6.957 -7.762 -0.553 1.00 44.33 O ATOM 1504 CB VAL A 94 -6.761 -7.972 -3.595 1.00 42.25 C ATOM 1505 CG1 VAL A 94 -7.177 -7.858 -5.053 1.00 62.05 C ATOM 1506 CG2 VAL A 94 -5.924 -6.773 -3.176 1.00 42.34 C ATOM 0 H VAL A 94 -8.336 -6.140 -2.051 1.00 73.31 H new ATOM 0 HA VAL A 94 -8.662 -8.866 -3.106 1.00 30.31 H new ATOM 0 HB VAL A 94 -6.151 -8.869 -3.485 1.00 42.25 H new ATOM 0 HG11 VAL A 94 -6.289 -7.762 -5.678 1.00 62.05 H new ATOM 0 HG12 VAL A 94 -7.731 -8.750 -5.344 1.00 62.05 H new ATOM 0 HG13 VAL A 94 -7.809 -6.980 -5.183 1.00 62.05 H new ATOM 0 HG21 VAL A 94 -5.054 -6.691 -3.827 1.00 42.34 H new ATOM 0 HG22 VAL A 94 -6.523 -5.866 -3.255 1.00 42.34 H new ATOM 0 HG23 VAL A 94 -5.595 -6.902 -2.145 1.00 42.34 H new ATOM 1516 N LYS A 95 -7.838 -9.792 -0.952 1.00 61.41 N ATOM 1517 CA LYS A 95 -7.464 -10.332 0.350 1.00 20.31 C ATOM 1518 C LYS A 95 -5.992 -10.734 0.369 1.00 31.55 C ATOM 1519 O LYS A 95 -5.290 -10.505 1.354 1.00 44.02 O ATOM 1520 CB LYS A 95 -8.338 -11.540 0.695 1.00 62.03 C ATOM 1521 CG LYS A 95 -9.818 -11.212 0.789 1.00 53.31 C ATOM 1522 CD LYS A 95 -10.669 -12.471 0.795 1.00 41.35 C ATOM 1523 CE LYS A 95 -11.933 -12.292 -0.034 1.00 25.31 C ATOM 1524 NZ LYS A 95 -13.023 -13.201 0.416 1.00 70.12 N ATOM 0 H LYS A 95 -8.330 -10.451 -1.556 1.00 61.41 H new ATOM 0 HA LYS A 95 -7.620 -9.554 1.097 1.00 20.31 H new ATOM 0 HB2 LYS A 95 -8.193 -12.311 -0.061 1.00 62.03 H new ATOM 0 HB3 LYS A 95 -8.006 -11.959 1.645 1.00 62.03 H new ATOM 0 HG2 LYS A 95 -10.008 -10.639 1.697 1.00 53.31 H new ATOM 0 HG3 LYS A 95 -10.106 -10.581 -0.052 1.00 53.31 H new ATOM 0 HD2 LYS A 95 -10.089 -13.306 0.401 1.00 41.35 H new ATOM 0 HD3 LYS A 95 -10.938 -12.725 1.820 1.00 41.35 H new ATOM 0 HE2 LYS A 95 -12.270 -11.258 0.036 1.00 25.31 H new ATOM 0 HE3 LYS A 95 -11.710 -12.484 -1.083 1.00 25.31 H new ATOM 0 HZ1 LYS A 95 -13.867 -13.049 -0.173 1.00 70.12 H new ATOM 0 HZ2 LYS A 95 -12.711 -14.189 0.325 1.00 70.12 H new ATOM 0 HZ3 LYS A 95 -13.254 -13.001 1.410 1.00 70.12 H new ATOM 1538 N ASP A 96 -5.533 -11.334 -0.724 1.00 3.31 N ATOM 1539 CA ASP A 96 -4.145 -11.765 -0.833 1.00 4.41 C ATOM 1540 C ASP A 96 -3.500 -11.207 -2.097 1.00 64.34 C ATOM 1541 O ASP A 96 -4.107 -10.418 -2.822 1.00 75.21 O ATOM 1542 CB ASP A 96 -4.062 -13.292 -0.835 1.00 2.23 C ATOM 1543 CG ASP A 96 -4.989 -13.922 -1.856 1.00 10.32 C ATOM 1544 OD1 ASP A 96 -4.790 -13.681 -3.065 1.00 43.41 O ATOM 1545 OD2 ASP A 96 -5.912 -14.655 -1.446 1.00 72.14 O ATOM 0 H ASP A 96 -6.102 -11.533 -1.547 1.00 3.31 H new ATOM 0 HA ASP A 96 -3.602 -11.380 0.030 1.00 4.41 H new ATOM 0 HB2 ASP A 96 -3.036 -13.597 -1.043 1.00 2.23 H new ATOM 0 HB3 ASP A 96 -4.311 -13.668 0.158 1.00 2.23 H new ATOM 1550 N THR A 97 -2.263 -11.621 -2.358 1.00 74.02 N ATOM 1551 CA THR A 97 -1.535 -11.161 -3.533 1.00 50.14 C ATOM 1552 C THR A 97 -1.917 -11.968 -4.768 1.00 32.42 C ATOM 1553 O THR A 97 -1.804 -11.488 -5.895 1.00 50.52 O ATOM 1554 CB THR A 97 -0.012 -11.255 -3.323 1.00 25.31 C ATOM 1555 OG1 THR A 97 0.399 -10.341 -2.300 1.00 43.25 O ATOM 1556 CG2 THR A 97 0.732 -10.949 -4.614 1.00 42.11 C ATOM 0 H THR A 97 -1.745 -12.274 -1.770 1.00 74.02 H new ATOM 0 HA THR A 97 -1.810 -10.117 -3.686 1.00 50.14 H new ATOM 0 HB THR A 97 0.228 -12.273 -3.017 1.00 25.31 H new ATOM 0 HG1 THR A 97 0.016 -9.457 -2.479 1.00 43.25 H new ATOM 0 HG21 THR A 97 1.806 -11.022 -4.441 1.00 42.11 H new ATOM 0 HG22 THR A 97 0.439 -11.665 -5.381 1.00 42.11 H new ATOM 0 HG23 THR A 97 0.485 -9.940 -4.946 1.00 42.11 H new ATOM 1564 N GLU A 98 -2.370 -13.199 -4.548 1.00 30.22 N ATOM 1565 CA GLU A 98 -2.769 -14.074 -5.645 1.00 13.42 C ATOM 1566 C GLU A 98 -3.993 -13.517 -6.366 1.00 44.24 C ATOM 1567 O GLU A 98 -4.202 -13.781 -7.550 1.00 10.22 O ATOM 1568 CB GLU A 98 -3.068 -15.480 -5.122 1.00 13.20 C ATOM 1569 CG GLU A 98 -1.994 -16.498 -5.464 1.00 62.15 C ATOM 1570 CD GLU A 98 -0.592 -15.973 -5.217 1.00 33.35 C ATOM 1571 OE1 GLU A 98 -0.360 -15.393 -4.135 1.00 74.12 O ATOM 1572 OE2 GLU A 98 0.270 -16.144 -6.103 1.00 2.51 O ATOM 0 H GLU A 98 -2.470 -13.612 -3.621 1.00 30.22 H new ATOM 0 HA GLU A 98 -1.943 -14.126 -6.354 1.00 13.42 H new ATOM 0 HB2 GLU A 98 -3.185 -15.438 -4.039 1.00 13.20 H new ATOM 0 HB3 GLU A 98 -4.020 -15.817 -5.533 1.00 13.20 H new ATOM 0 HG2 GLU A 98 -2.150 -17.399 -4.871 1.00 62.15 H new ATOM 0 HG3 GLU A 98 -2.091 -16.785 -6.511 1.00 62.15 H new ATOM 1579 N GLY A 99 -4.799 -12.744 -5.645 1.00 24.15 N ATOM 1580 CA GLY A 99 -5.991 -12.162 -6.232 1.00 44.21 C ATOM 1581 C GLY A 99 -5.694 -10.900 -7.017 1.00 53.42 C ATOM 1582 O GLY A 99 -6.329 -10.631 -8.037 1.00 64.23 O ATOM 0 H GLY A 99 -4.647 -12.510 -4.664 1.00 24.15 H new ATOM 0 HA2 GLY A 99 -6.462 -12.893 -6.889 1.00 44.21 H new ATOM 0 HA3 GLY A 99 -6.707 -11.935 -5.442 1.00 44.21 H new ATOM 1586 N ALA A 100 -4.729 -10.121 -6.540 1.00 4.12 N ATOM 1587 CA ALA A 100 -4.349 -8.880 -7.204 1.00 22.33 C ATOM 1588 C ALA A 100 -3.541 -9.159 -8.467 1.00 3.22 C ATOM 1589 O ALA A 100 -3.644 -8.432 -9.455 1.00 5.31 O ATOM 1590 CB ALA A 100 -3.559 -7.993 -6.253 1.00 64.20 C ATOM 0 H ALA A 100 -4.196 -10.327 -5.695 1.00 4.12 H new ATOM 0 HA ALA A 100 -5.260 -8.358 -7.496 1.00 22.33 H new ATOM 0 HB1 ALA A 100 -3.282 -7.070 -6.762 1.00 64.20 H new ATOM 0 HB2 ALA A 100 -4.171 -7.758 -5.382 1.00 64.20 H new ATOM 0 HB3 ALA A 100 -2.658 -8.515 -5.933 1.00 64.20 H new ATOM 1596 N LYS A 101 -2.735 -10.214 -8.426 1.00 71.14 N ATOM 1597 CA LYS A 101 -1.908 -10.590 -9.568 1.00 4.31 C ATOM 1598 C LYS A 101 -2.768 -11.102 -10.718 1.00 72.32 C ATOM 1599 O LYS A 101 -2.470 -10.852 -11.885 1.00 72.35 O ATOM 1600 CB LYS A 101 -0.895 -11.661 -9.158 1.00 41.25 C ATOM 1601 CG LYS A 101 0.330 -11.715 -10.056 1.00 72.42 C ATOM 1602 CD LYS A 101 0.590 -13.125 -10.560 1.00 0.22 C ATOM 1603 CE LYS A 101 1.387 -13.938 -9.551 1.00 51.03 C ATOM 1604 NZ LYS A 101 2.768 -14.218 -10.032 1.00 33.43 N ATOM 0 H LYS A 101 -2.636 -10.824 -7.615 1.00 71.14 H new ATOM 0 HA LYS A 101 -1.373 -9.702 -9.906 1.00 4.31 H new ATOM 0 HB2 LYS A 101 -0.576 -11.474 -8.133 1.00 41.25 H new ATOM 0 HB3 LYS A 101 -1.385 -12.635 -9.167 1.00 41.25 H new ATOM 0 HG2 LYS A 101 0.191 -11.044 -10.904 1.00 72.42 H new ATOM 0 HG3 LYS A 101 1.201 -11.358 -9.507 1.00 72.42 H new ATOM 0 HD2 LYS A 101 -0.359 -13.622 -10.761 1.00 0.22 H new ATOM 0 HD3 LYS A 101 1.133 -13.081 -11.504 1.00 0.22 H new ATOM 0 HE2 LYS A 101 1.434 -13.398 -8.605 1.00 51.03 H new ATOM 0 HE3 LYS A 101 0.873 -14.879 -9.355 1.00 51.03 H new ATOM 0 HZ1 LYS A 101 3.135 -15.068 -9.559 1.00 33.43 H new ATOM 0 HZ2 LYS A 101 2.753 -14.373 -11.060 1.00 33.43 H new ATOM 0 HZ3 LYS A 101 3.383 -13.408 -9.813 1.00 33.43 H new ATOM 1618 N GLN A 102 -3.836 -11.817 -10.380 1.00 35.12 N ATOM 1619 CA GLN A 102 -4.740 -12.363 -11.385 1.00 54.31 C ATOM 1620 C GLN A 102 -5.554 -11.254 -12.045 1.00 14.10 C ATOM 1621 O GLN A 102 -5.556 -11.116 -13.268 1.00 64.13 O ATOM 1622 CB GLN A 102 -5.677 -13.393 -10.754 1.00 74.30 C ATOM 1623 CG GLN A 102 -6.179 -14.442 -11.735 1.00 2.34 C ATOM 1624 CD GLN A 102 -5.614 -15.820 -11.454 1.00 12.20 C ATOM 1625 OE1 GLN A 102 -6.353 -16.757 -11.150 1.00 11.14 O ATOM 1626 NE2 GLN A 102 -4.296 -15.952 -11.556 1.00 31.11 N ATOM 0 H GLN A 102 -4.096 -12.032 -9.417 1.00 35.12 H new ATOM 0 HA GLN A 102 -4.138 -12.852 -12.151 1.00 54.31 H new ATOM 0 HB2 GLN A 102 -5.157 -13.892 -9.936 1.00 74.30 H new ATOM 0 HB3 GLN A 102 -6.532 -12.876 -10.319 1.00 74.30 H new ATOM 0 HG2 GLN A 102 -7.267 -14.484 -11.691 1.00 2.34 H new ATOM 0 HG3 GLN A 102 -5.912 -14.144 -12.749 1.00 2.34 H new ATOM 0 HE21 GLN A 102 -3.721 -15.149 -11.811 1.00 31.11 H new ATOM 0 HE22 GLN A 102 -3.859 -16.857 -11.380 1.00 31.11 H new ATOM 1635 N ILE A 103 -6.244 -10.468 -11.227 1.00 13.31 N ATOM 1636 CA ILE A 103 -7.062 -9.371 -11.731 1.00 61.24 C ATOM 1637 C ILE A 103 -6.277 -8.507 -12.713 1.00 43.01 C ATOM 1638 O ILE A 103 -6.817 -8.046 -13.720 1.00 24.15 O ATOM 1639 CB ILE A 103 -7.581 -8.483 -10.586 1.00 14.55 C ATOM 1640 CG1 ILE A 103 -8.482 -9.293 -9.650 1.00 65.14 C ATOM 1641 CG2 ILE A 103 -8.332 -7.283 -11.144 1.00 4.01 C ATOM 1642 CD1 ILE A 103 -8.663 -8.661 -8.289 1.00 20.34 C ATOM 0 H ILE A 103 -6.254 -10.570 -10.212 1.00 13.31 H new ATOM 0 HA ILE A 103 -7.912 -9.821 -12.244 1.00 61.24 H new ATOM 0 HB ILE A 103 -6.727 -8.119 -10.014 1.00 14.55 H new ATOM 0 HG12 ILE A 103 -9.459 -9.417 -10.117 1.00 65.14 H new ATOM 0 HG13 ILE A 103 -8.060 -10.290 -9.525 1.00 65.14 H new ATOM 0 HG21 ILE A 103 -8.693 -6.665 -10.322 1.00 4.01 H new ATOM 0 HG22 ILE A 103 -7.663 -6.696 -11.773 1.00 4.01 H new ATOM 0 HG23 ILE A 103 -9.179 -7.628 -11.737 1.00 4.01 H new ATOM 0 HD11 ILE A 103 -9.313 -9.289 -7.680 1.00 20.34 H new ATOM 0 HD12 ILE A 103 -7.693 -8.562 -7.802 1.00 20.34 H new ATOM 0 HD13 ILE A 103 -9.114 -7.675 -8.403 1.00 20.34 H new ATOM 1654 N VAL A 104 -5.000 -8.294 -12.415 1.00 4.14 N ATOM 1655 CA VAL A 104 -4.138 -7.487 -13.273 1.00 35.43 C ATOM 1656 C VAL A 104 -3.807 -8.224 -14.565 1.00 53.53 C ATOM 1657 O VAL A 104 -3.860 -7.647 -15.651 1.00 70.15 O ATOM 1658 CB VAL A 104 -2.827 -7.112 -12.558 1.00 32.22 C ATOM 1659 CG1 VAL A 104 -1.897 -6.367 -13.504 1.00 34.32 C ATOM 1660 CG2 VAL A 104 -3.116 -6.281 -11.317 1.00 14.33 C ATOM 0 H VAL A 104 -4.538 -8.669 -11.586 1.00 4.14 H new ATOM 0 HA VAL A 104 -4.688 -6.575 -13.508 1.00 35.43 H new ATOM 0 HB VAL A 104 -2.329 -8.030 -12.245 1.00 32.22 H new ATOM 0 HG11 VAL A 104 -0.976 -6.110 -12.981 1.00 34.32 H new ATOM 0 HG12 VAL A 104 -1.664 -7.001 -14.360 1.00 34.32 H new ATOM 0 HG13 VAL A 104 -2.384 -5.455 -13.850 1.00 34.32 H new ATOM 0 HG21 VAL A 104 -2.178 -6.025 -10.824 1.00 14.33 H new ATOM 0 HG22 VAL A 104 -3.636 -5.367 -11.604 1.00 14.33 H new ATOM 0 HG23 VAL A 104 -3.741 -6.855 -10.632 1.00 14.33 H new ATOM 1670 N ARG A 105 -3.465 -9.503 -14.441 1.00 10.44 N ATOM 1671 CA ARG A 105 -3.124 -10.319 -15.600 1.00 41.44 C ATOM 1672 C ARG A 105 -4.345 -10.542 -16.486 1.00 53.32 C ATOM 1673 O ARG A 105 -4.225 -10.998 -17.623 1.00 65.52 O ATOM 1674 CB ARG A 105 -2.552 -11.665 -15.152 1.00 11.34 C ATOM 1675 CG ARG A 105 -1.731 -12.364 -16.222 1.00 51.23 C ATOM 1676 CD ARG A 105 -2.030 -13.855 -16.270 1.00 11.32 C ATOM 1677 NE ARG A 105 -0.811 -14.657 -16.305 1.00 72.51 N ATOM 1678 CZ ARG A 105 -0.795 -15.977 -16.154 1.00 54.34 C ATOM 1679 NH1 ARG A 105 -1.927 -16.639 -15.960 1.00 52.34 N ATOM 1680 NH2 ARG A 105 0.355 -16.637 -16.199 1.00 44.41 N ATOM 0 H ARG A 105 -3.417 -9.996 -13.549 1.00 10.44 H new ATOM 0 HA ARG A 105 -2.370 -9.786 -16.179 1.00 41.44 H new ATOM 0 HB2 ARG A 105 -1.929 -11.510 -14.271 1.00 11.34 H new ATOM 0 HB3 ARG A 105 -3.372 -12.317 -14.852 1.00 11.34 H new ATOM 0 HG2 ARG A 105 -1.943 -11.918 -17.194 1.00 51.23 H new ATOM 0 HG3 ARG A 105 -0.670 -12.211 -16.026 1.00 51.23 H new ATOM 0 HD2 ARG A 105 -2.622 -14.134 -15.399 1.00 11.32 H new ATOM 0 HD3 ARG A 105 -2.634 -14.075 -17.150 1.00 11.32 H new ATOM 0 HE ARG A 105 0.077 -14.178 -16.453 1.00 72.51 H new ATOM 0 HH11 ARG A 105 -2.813 -16.135 -15.926 1.00 52.34 H new ATOM 0 HH12 ARG A 105 -1.912 -17.652 -15.844 1.00 52.34 H new ATOM 0 HH21 ARG A 105 1.228 -16.131 -16.350 1.00 44.41 H new ATOM 0 HH22 ARG A 105 0.366 -17.650 -16.083 1.00 44.41 H new ATOM 1694 N ARG A 106 -5.522 -10.218 -15.957 1.00 65.54 N ATOM 1695 CA ARG A 106 -6.765 -10.386 -16.699 1.00 70.34 C ATOM 1696 C ARG A 106 -7.203 -9.067 -17.330 1.00 70.55 C ATOM 1697 O ARG A 106 -7.533 -9.014 -18.516 1.00 61.41 O ATOM 1698 CB ARG A 106 -7.867 -10.914 -15.778 1.00 1.35 C ATOM 1699 CG ARG A 106 -7.727 -12.389 -15.444 1.00 71.33 C ATOM 1700 CD ARG A 106 -8.343 -13.265 -16.524 1.00 42.13 C ATOM 1701 NE ARG A 106 -9.662 -13.761 -16.141 1.00 32.52 N ATOM 1702 CZ ARG A 106 -9.857 -14.680 -15.201 1.00 41.15 C ATOM 1703 NH1 ARG A 106 -8.824 -15.200 -14.553 1.00 71.13 N ATOM 1704 NH2 ARG A 106 -11.088 -15.080 -14.909 1.00 31.51 N ATOM 0 H ARG A 106 -5.639 -9.838 -15.018 1.00 65.54 H new ATOM 0 HA ARG A 106 -6.589 -11.110 -17.495 1.00 70.34 H new ATOM 0 HB2 ARG A 106 -7.862 -10.339 -14.852 1.00 1.35 H new ATOM 0 HB3 ARG A 106 -8.835 -10.748 -16.251 1.00 1.35 H new ATOM 0 HG2 ARG A 106 -6.672 -12.639 -15.329 1.00 71.33 H new ATOM 0 HG3 ARG A 106 -8.209 -12.594 -14.488 1.00 71.33 H new ATOM 0 HD2 ARG A 106 -8.425 -12.695 -17.450 1.00 42.13 H new ATOM 0 HD3 ARG A 106 -7.683 -14.109 -16.726 1.00 42.13 H new ATOM 0 HE ARG A 106 -10.478 -13.381 -16.621 1.00 32.52 H new ATOM 0 HH11 ARG A 106 -7.876 -14.895 -14.775 1.00 71.13 H new ATOM 0 HH12 ARG A 106 -8.977 -15.905 -13.832 1.00 71.13 H new ATOM 0 HH21 ARG A 106 -11.885 -14.682 -15.406 1.00 31.51 H new ATOM 0 HH22 ARG A 106 -11.237 -15.785 -14.188 1.00 31.51 H new ATOM 1718 N HIS A 107 -7.204 -8.006 -16.531 1.00 44.53 N ATOM 1719 CA HIS A 107 -7.601 -6.687 -17.011 1.00 70.14 C ATOM 1720 C HIS A 107 -6.689 -6.225 -18.144 1.00 41.14 C ATOM 1721 O HIS A 107 -7.181 -5.492 -19.004 1.00 44.01 O ATOM 1722 CB HIS A 107 -7.565 -5.672 -15.868 1.00 73.54 C ATOM 1723 CG HIS A 107 -8.702 -5.817 -14.904 1.00 31.02 C ATOM 1724 ND1 HIS A 107 -9.863 -6.498 -15.205 1.00 71.10 N ATOM 1725 CD2 HIS A 107 -8.853 -5.364 -13.637 1.00 63.33 C ATOM 1726 CE1 HIS A 107 -10.677 -6.458 -14.165 1.00 12.52 C ATOM 1727 NE2 HIS A 107 -10.087 -5.775 -13.200 1.00 63.22 N ATOM 0 H HIS A 107 -6.934 -8.033 -15.548 1.00 44.53 H new ATOM 0 HA HIS A 107 -8.620 -6.758 -17.392 1.00 70.14 H new ATOM 0 HB2 HIS A 107 -6.625 -5.779 -15.327 1.00 73.54 H new ATOM 0 HB3 HIS A 107 -7.580 -4.665 -16.286 1.00 73.54 H new ATOM 0 HD2 HIS A 107 -8.135 -4.786 -13.074 1.00 63.33 H new ATOM 0 HE1 HIS A 107 -11.658 -6.907 -14.113 1.00 12.52 H new ATOM 0 HE2 HIS A 107 -10.484 -5.584 -12.280 1.00 63.22 H new ATOM 1735 N LEU A 108 -5.421 -6.619 -18.170 1.00 24.34 N ATOM 1736 CA LEU A 108 -4.512 -6.204 -19.233 1.00 0.42 C ATOM 1737 C LEU A 108 -4.870 -6.881 -20.551 1.00 52.15 C ATOM 1738 O LEU A 108 -5.136 -6.214 -21.551 1.00 73.05 O ATOM 1739 CB LEU A 108 -3.067 -6.534 -18.853 1.00 72.04 C ATOM 1740 CG LEU A 108 -2.414 -5.609 -17.826 1.00 14.33 C ATOM 1741 CD1 LEU A 108 -1.212 -6.285 -17.186 1.00 34.35 C ATOM 1742 CD2 LEU A 108 -2.005 -4.295 -18.475 1.00 13.12 C ATOM 0 H LEU A 108 -4.999 -7.225 -17.467 1.00 24.34 H new ATOM 0 HA LEU A 108 -4.611 -5.126 -19.361 1.00 0.42 H new ATOM 0 HB2 LEU A 108 -3.038 -7.552 -18.465 1.00 72.04 H new ATOM 0 HB3 LEU A 108 -2.462 -6.521 -19.760 1.00 72.04 H new ATOM 0 HG LEU A 108 -3.143 -5.394 -17.045 1.00 14.33 H new ATOM 0 HD11 LEU A 108 -0.760 -5.611 -16.458 1.00 34.35 H new ATOM 0 HD12 LEU A 108 -1.532 -7.199 -16.685 1.00 34.35 H new ATOM 0 HD13 LEU A 108 -0.480 -6.531 -17.956 1.00 34.35 H new ATOM 0 HD21 LEU A 108 -1.542 -3.649 -17.729 1.00 13.12 H new ATOM 0 HD22 LEU A 108 -1.293 -4.491 -19.277 1.00 13.12 H new ATOM 0 HD23 LEU A 108 -2.886 -3.802 -18.885 1.00 13.12 H new ATOM 1754 N VAL A 109 -4.878 -8.210 -20.546 1.00 72.12 N ATOM 1755 CA VAL A 109 -5.208 -8.978 -21.741 1.00 51.41 C ATOM 1756 C VAL A 109 -6.561 -8.561 -22.306 1.00 11.42 C ATOM 1757 O VAL A 109 -6.781 -8.607 -23.516 1.00 4.01 O ATOM 1758 CB VAL A 109 -5.230 -10.490 -21.448 1.00 44.01 C ATOM 1759 CG1 VAL A 109 -5.589 -11.272 -22.702 1.00 52.24 C ATOM 1760 CG2 VAL A 109 -3.889 -10.944 -20.893 1.00 61.32 C ATOM 0 H VAL A 109 -4.660 -8.778 -19.727 1.00 72.12 H new ATOM 0 HA VAL A 109 -4.431 -8.769 -22.476 1.00 51.41 H new ATOM 0 HB VAL A 109 -5.994 -10.686 -20.696 1.00 44.01 H new ATOM 0 HG11 VAL A 109 -5.600 -12.338 -22.475 1.00 52.24 H new ATOM 0 HG12 VAL A 109 -6.575 -10.966 -23.052 1.00 52.24 H new ATOM 0 HG13 VAL A 109 -4.850 -11.073 -23.479 1.00 52.24 H new ATOM 0 HG21 VAL A 109 -3.922 -12.015 -20.692 1.00 61.32 H new ATOM 0 HG22 VAL A 109 -3.105 -10.736 -21.621 1.00 61.32 H new ATOM 0 HG23 VAL A 109 -3.677 -10.407 -19.968 1.00 61.32 H new ATOM 1770 N ALA A 110 -7.465 -8.153 -21.422 1.00 10.44 N ATOM 1771 CA ALA A 110 -8.796 -7.725 -21.833 1.00 13.21 C ATOM 1772 C ALA A 110 -8.730 -6.453 -22.671 1.00 34.40 C ATOM 1773 O ALA A 110 -9.602 -6.202 -23.502 1.00 62.35 O ATOM 1774 CB ALA A 110 -9.681 -7.510 -20.613 1.00 40.22 C ATOM 0 H ALA A 110 -7.300 -8.110 -20.416 1.00 10.44 H new ATOM 0 HA ALA A 110 -9.230 -8.512 -22.449 1.00 13.21 H new ATOM 0 HB1 ALA A 110 -10.672 -7.190 -20.934 1.00 40.22 H new ATOM 0 HB2 ALA A 110 -9.764 -8.442 -20.055 1.00 40.22 H new ATOM 0 HB3 ALA A 110 -9.242 -6.743 -19.975 1.00 40.22 H new ATOM 1780 N GLU A 111 -7.691 -5.655 -22.446 1.00 73.14 N ATOM 1781 CA GLU A 111 -7.513 -4.409 -23.182 1.00 14.32 C ATOM 1782 C GLU A 111 -6.556 -4.601 -24.354 1.00 42.54 C ATOM 1783 O GLU A 111 -6.641 -3.898 -25.362 1.00 0.31 O ATOM 1784 CB GLU A 111 -6.985 -3.313 -22.253 1.00 11.02 C ATOM 1785 CG GLU A 111 -7.643 -1.961 -22.471 1.00 13.01 C ATOM 1786 CD GLU A 111 -6.642 -0.873 -22.805 1.00 51.22 C ATOM 1787 OE1 GLU A 111 -5.901 -1.033 -23.798 1.00 52.01 O ATOM 1788 OE2 GLU A 111 -6.598 0.139 -22.074 1.00 13.41 O ATOM 0 H GLU A 111 -6.961 -5.849 -21.761 1.00 73.14 H new ATOM 0 HA GLU A 111 -8.484 -4.107 -23.574 1.00 14.32 H new ATOM 0 HB2 GLU A 111 -7.139 -3.620 -21.219 1.00 11.02 H new ATOM 0 HB3 GLU A 111 -5.910 -3.212 -22.399 1.00 11.02 H new ATOM 0 HG2 GLU A 111 -8.370 -2.041 -23.279 1.00 13.01 H new ATOM 0 HG3 GLU A 111 -8.194 -1.680 -21.573 1.00 13.01 H new ATOM 1795 N THR A 112 -5.643 -5.558 -24.215 1.00 42.52 N ATOM 1796 CA THR A 112 -4.668 -5.842 -25.260 1.00 41.35 C ATOM 1797 C THR A 112 -5.354 -6.088 -26.600 1.00 33.12 C ATOM 1798 O THR A 112 -4.792 -5.808 -27.657 1.00 65.40 O ATOM 1799 CB THR A 112 -3.805 -7.066 -24.905 1.00 41.25 C ATOM 1800 OG1 THR A 112 -3.246 -6.909 -23.597 1.00 11.41 O ATOM 1801 CG2 THR A 112 -2.687 -7.253 -25.921 1.00 23.31 C ATOM 0 H THR A 112 -5.559 -6.149 -23.388 1.00 42.52 H new ATOM 0 HA THR A 112 -4.025 -4.965 -25.340 1.00 41.35 H new ATOM 0 HB THR A 112 -4.443 -7.950 -24.923 1.00 41.25 H new ATOM 0 HG1 THR A 112 -3.965 -6.751 -22.951 1.00 11.41 H new ATOM 0 HG21 THR A 112 -2.090 -8.124 -25.649 1.00 23.31 H new ATOM 0 HG22 THR A 112 -3.117 -7.402 -26.912 1.00 23.31 H new ATOM 0 HG23 THR A 112 -2.052 -6.367 -25.931 1.00 23.31 H new ATOM 1809 N GLY A 113 -6.575 -6.614 -26.546 1.00 44.53 N ATOM 1810 CA GLY A 113 -7.317 -6.889 -27.763 1.00 14.33 C ATOM 1811 C GLY A 113 -7.408 -5.681 -28.673 1.00 2.33 C ATOM 1812 O GLY A 113 -7.491 -5.818 -29.894 1.00 41.51 O ATOM 0 H GLY A 113 -7.062 -6.854 -25.683 1.00 44.53 H new ATOM 0 HA2 GLY A 113 -6.838 -7.708 -28.299 1.00 14.33 H new ATOM 0 HA3 GLY A 113 -8.322 -7.222 -27.504 1.00 14.33 H new ATOM 1816 N THR A 114 -7.393 -4.491 -28.079 1.00 4.12 N ATOM 1817 CA THR A 114 -7.477 -3.254 -28.843 1.00 3.10 C ATOM 1818 C THR A 114 -6.126 -2.548 -28.896 1.00 62.43 C ATOM 1819 O THR A 114 -6.059 -1.321 -28.953 1.00 44.30 O ATOM 1820 CB THR A 114 -8.522 -2.292 -28.245 1.00 20.52 C ATOM 1821 OG1 THR A 114 -9.397 -3.008 -27.366 1.00 51.21 O ATOM 1822 CG2 THR A 114 -9.334 -1.624 -29.344 1.00 40.11 C ATOM 0 H THR A 114 -7.323 -4.359 -27.070 1.00 4.12 H new ATOM 0 HA THR A 114 -7.782 -3.527 -29.853 1.00 3.10 H new ATOM 0 HB THR A 114 -7.996 -1.519 -27.685 1.00 20.52 H new ATOM 0 HG1 THR A 114 -10.058 -2.391 -26.988 1.00 51.21 H new ATOM 0 HG21 THR A 114 -10.065 -0.950 -28.898 1.00 40.11 H new ATOM 0 HG22 THR A 114 -8.668 -1.058 -29.995 1.00 40.11 H new ATOM 0 HG23 THR A 114 -9.852 -2.385 -29.928 1.00 40.11 H new ATOM 1830 N ALA A 115 -5.053 -3.332 -28.879 1.00 53.20 N ATOM 1831 CA ALA A 115 -3.704 -2.781 -28.928 1.00 72.45 C ATOM 1832 C ALA A 115 -2.664 -3.889 -29.059 1.00 11.51 C ATOM 1833 O ALA A 115 -1.647 -3.882 -28.366 1.00 40.13 O ATOM 1834 CB ALA A 115 -3.431 -1.941 -27.690 1.00 72.23 C ATOM 0 H ALA A 115 -5.092 -4.350 -28.832 1.00 53.20 H new ATOM 0 HA ALA A 115 -3.630 -2.143 -29.809 1.00 72.45 H new ATOM 0 HB1 ALA A 115 -2.420 -1.536 -27.741 1.00 72.23 H new ATOM 0 HB2 ALA A 115 -4.148 -1.121 -27.641 1.00 72.23 H new ATOM 0 HB3 ALA A 115 -3.529 -2.562 -26.800 1.00 72.23 H new ATOM 1840 N GLU A 116 -2.926 -4.839 -29.950 1.00 52.22 N ATOM 1841 CA GLU A 116 -2.012 -5.954 -30.169 1.00 44.11 C ATOM 1842 C GLU A 116 -0.596 -5.452 -30.438 1.00 73.45 C ATOM 1843 O GLU A 116 0.385 -6.112 -30.095 1.00 40.24 O ATOM 1844 CB GLU A 116 -2.491 -6.814 -31.341 1.00 14.40 C ATOM 1845 CG GLU A 116 -1.996 -8.249 -31.285 1.00 61.21 C ATOM 1846 CD GLU A 116 -1.270 -8.665 -32.550 1.00 72.13 C ATOM 1847 OE1 GLU A 116 -0.542 -7.825 -33.120 1.00 72.53 O ATOM 1848 OE2 GLU A 116 -1.430 -9.830 -32.969 1.00 51.02 O ATOM 0 H GLU A 116 -3.763 -4.859 -30.532 1.00 52.22 H new ATOM 0 HA GLU A 116 -1.998 -6.562 -29.264 1.00 44.11 H new ATOM 0 HB2 GLU A 116 -3.581 -6.815 -31.358 1.00 14.40 H new ATOM 0 HB3 GLU A 116 -2.158 -6.360 -32.274 1.00 14.40 H new ATOM 0 HG2 GLU A 116 -1.328 -8.366 -30.432 1.00 61.21 H new ATOM 0 HG3 GLU A 116 -2.843 -8.915 -31.120 1.00 61.21 H new ATOM 1855 N LYS A 117 -0.498 -4.280 -31.056 1.00 50.31 N ATOM 1856 CA LYS A 117 0.796 -3.687 -31.373 1.00 13.34 C ATOM 1857 C LYS A 117 1.660 -3.569 -30.122 1.00 23.51 C ATOM 1858 O LYS A 117 2.801 -4.031 -30.099 1.00 3.14 O ATOM 1859 CB LYS A 117 0.606 -2.306 -32.006 1.00 11.23 C ATOM 1860 CG LYS A 117 1.907 -1.555 -32.228 1.00 24.34 C ATOM 1861 CD LYS A 117 1.795 -0.574 -33.383 1.00 33.15 C ATOM 1862 CE LYS A 117 2.678 0.646 -33.165 1.00 60.20 C ATOM 1863 NZ LYS A 117 3.446 0.998 -34.391 1.00 44.40 N ATOM 0 H LYS A 117 -1.300 -3.721 -31.348 1.00 50.31 H new ATOM 0 HA LYS A 117 1.303 -4.339 -32.084 1.00 13.34 H new ATOM 0 HB2 LYS A 117 0.095 -2.421 -32.962 1.00 11.23 H new ATOM 0 HB3 LYS A 117 -0.044 -1.709 -31.367 1.00 11.23 H new ATOM 0 HG2 LYS A 117 2.178 -1.018 -31.319 1.00 24.34 H new ATOM 0 HG3 LYS A 117 2.708 -2.266 -32.430 1.00 24.34 H new ATOM 0 HD2 LYS A 117 2.079 -1.069 -34.311 1.00 33.15 H new ATOM 0 HD3 LYS A 117 0.758 -0.259 -33.495 1.00 33.15 H new ATOM 0 HE2 LYS A 117 2.060 1.493 -32.867 1.00 60.20 H new ATOM 0 HE3 LYS A 117 3.370 0.452 -32.346 1.00 60.20 H new ATOM 0 HZ1 LYS A 117 4.036 1.834 -34.203 1.00 44.40 H new ATOM 0 HZ2 LYS A 117 4.054 0.199 -34.661 1.00 44.40 H new ATOM 0 HZ3 LYS A 117 2.785 1.208 -35.166 1.00 44.40 H new ATOM 1877 N MET A 118 1.110 -2.951 -29.083 1.00 21.12 N ATOM 1878 CA MET A 118 1.831 -2.776 -27.827 1.00 62.14 C ATOM 1879 C MET A 118 3.180 -2.106 -28.064 1.00 21.40 C ATOM 1880 O MET A 118 4.239 -2.722 -27.931 1.00 55.41 O ATOM 1881 CB MET A 118 2.034 -4.127 -27.139 1.00 31.44 C ATOM 1882 CG MET A 118 2.364 -4.012 -25.659 1.00 32.12 C ATOM 1883 SD MET A 118 4.091 -4.385 -25.302 1.00 1.50 S ATOM 1884 CE MET A 118 4.019 -4.664 -23.535 1.00 21.51 C ATOM 0 H MET A 118 0.167 -2.563 -29.085 1.00 21.12 H new ATOM 0 HA MET A 118 1.234 -2.133 -27.180 1.00 62.14 H new ATOM 0 HB2 MET A 118 1.130 -4.725 -27.256 1.00 31.44 H new ATOM 0 HB3 MET A 118 2.838 -4.664 -27.642 1.00 31.44 H new ATOM 0 HG2 MET A 118 2.136 -3.002 -25.317 1.00 32.12 H new ATOM 0 HG3 MET A 118 1.725 -4.691 -25.094 1.00 32.12 H new ATOM 0 HE1 MET A 118 5.015 -4.906 -23.164 1.00 21.51 H new ATOM 0 HE2 MET A 118 3.656 -3.764 -23.039 1.00 21.51 H new ATOM 0 HE3 MET A 118 3.342 -5.492 -23.325 1.00 21.51 H new ATOM 1894 N PRO A 119 3.146 -0.815 -28.424 1.00 14.22 N ATOM 1895 CA PRO A 119 4.358 -0.033 -28.687 1.00 62.25 C ATOM 1896 C PRO A 119 5.158 0.241 -27.418 1.00 32.34 C ATOM 1897 O PRO A 119 4.884 1.200 -26.696 1.00 24.50 O ATOM 1898 CB PRO A 119 3.817 1.274 -29.271 1.00 10.53 C ATOM 1899 CG PRO A 119 2.435 1.390 -28.727 1.00 11.13 C ATOM 1900 CD PRO A 119 1.920 -0.017 -28.602 1.00 21.55 C ATOM 0 HA PRO A 119 5.047 -0.559 -29.349 1.00 62.25 H new ATOM 0 HB2 PRO A 119 4.432 2.124 -28.975 1.00 10.53 H new ATOM 0 HB3 PRO A 119 3.812 1.249 -30.361 1.00 10.53 H new ATOM 0 HG2 PRO A 119 2.437 1.892 -27.760 1.00 11.13 H new ATOM 0 HG3 PRO A 119 1.803 1.980 -29.391 1.00 11.13 H new ATOM 0 HD2 PRO A 119 1.244 -0.124 -27.753 1.00 21.55 H new ATOM 0 HD3 PRO A 119 1.367 -0.323 -29.490 1.00 21.55 H new ATOM 1908 N SER A 120 6.146 -0.607 -27.153 1.00 21.04 N ATOM 1909 CA SER A 120 6.983 -0.458 -25.968 1.00 45.41 C ATOM 1910 C SER A 120 8.457 -0.362 -26.353 1.00 51.30 C ATOM 1911 O SER A 120 8.828 -0.607 -27.501 1.00 23.12 O ATOM 1912 CB SER A 120 6.770 -1.635 -25.014 1.00 40.14 C ATOM 1913 OG SER A 120 5.617 -1.440 -24.214 1.00 13.24 O ATOM 0 H SER A 120 6.387 -1.404 -27.742 1.00 21.04 H new ATOM 0 HA SER A 120 6.695 0.465 -25.464 1.00 45.41 H new ATOM 0 HB2 SER A 120 6.668 -2.557 -25.586 1.00 40.14 H new ATOM 0 HB3 SER A 120 7.645 -1.752 -24.374 1.00 40.14 H new ATOM 0 HG SER A 120 4.993 -2.183 -24.352 1.00 13.24 H new ATOM 1919 N THR A 121 9.293 -0.001 -25.384 1.00 71.44 N ATOM 1920 CA THR A 121 10.725 0.129 -25.619 1.00 61.13 C ATOM 1921 C THR A 121 11.524 -0.720 -24.638 1.00 74.51 C ATOM 1922 O THR A 121 10.954 -1.458 -23.833 1.00 41.03 O ATOM 1923 CB THR A 121 11.182 1.595 -25.502 1.00 44.55 C ATOM 1924 OG1 THR A 121 10.055 2.441 -25.247 1.00 63.20 O ATOM 1925 CG2 THR A 121 11.883 2.047 -26.775 1.00 63.14 C ATOM 0 H THR A 121 9.002 0.207 -24.429 1.00 71.44 H new ATOM 0 HA THR A 121 10.911 -0.223 -26.634 1.00 61.13 H new ATOM 0 HB THR A 121 11.886 1.667 -24.673 1.00 44.55 H new ATOM 0 HG1 THR A 121 10.354 3.371 -25.172 1.00 63.20 H new ATOM 0 HG21 THR A 121 12.197 3.085 -26.669 1.00 63.14 H new ATOM 0 HG22 THR A 121 12.757 1.420 -26.951 1.00 63.14 H new ATOM 0 HG23 THR A 121 11.198 1.960 -27.618 1.00 63.14 H new ATOM 1933 N SER A 122 12.846 -0.611 -24.708 1.00 24.33 N ATOM 1934 CA SER A 122 13.724 -1.373 -23.827 1.00 33.13 C ATOM 1935 C SER A 122 14.953 -0.554 -23.443 1.00 41.43 C ATOM 1936 O SER A 122 15.251 0.466 -24.066 1.00 13.53 O ATOM 1937 CB SER A 122 14.156 -2.676 -24.503 1.00 12.24 C ATOM 1938 OG SER A 122 13.900 -3.792 -23.668 1.00 61.02 O ATOM 0 H SER A 122 13.333 -0.002 -25.366 1.00 24.33 H new ATOM 0 HA SER A 122 13.169 -1.610 -22.919 1.00 33.13 H new ATOM 0 HB2 SER A 122 13.623 -2.794 -25.447 1.00 12.24 H new ATOM 0 HB3 SER A 122 15.219 -2.631 -24.740 1.00 12.24 H new ATOM 0 HG SER A 122 14.183 -4.613 -24.123 1.00 61.02 H new ATOM 1944 N ARG A 123 15.662 -1.007 -22.414 1.00 72.15 N ATOM 1945 CA ARG A 123 16.858 -0.317 -21.947 1.00 53.03 C ATOM 1946 C ARG A 123 18.033 -1.283 -21.831 1.00 52.31 C ATOM 1947 O ARG A 123 17.874 -2.453 -21.481 1.00 12.41 O ATOM 1948 CB ARG A 123 16.593 0.346 -20.594 1.00 11.51 C ATOM 1949 CG ARG A 123 16.208 1.814 -20.700 1.00 72.43 C ATOM 1950 CD ARG A 123 14.719 1.981 -20.962 1.00 34.44 C ATOM 1951 NE ARG A 123 14.434 3.167 -21.765 1.00 24.13 N ATOM 1952 CZ ARG A 123 13.212 3.654 -21.949 1.00 21.34 C ATOM 1953 NH1 ARG A 123 12.167 3.061 -21.388 1.00 3.31 N ATOM 1954 NH2 ARG A 123 13.033 4.738 -22.693 1.00 65.23 N ATOM 0 H ARG A 123 15.429 -1.849 -21.888 1.00 72.15 H new ATOM 0 HA ARG A 123 17.113 0.451 -22.677 1.00 53.03 H new ATOM 0 HB2 ARG A 123 15.795 -0.194 -20.084 1.00 11.51 H new ATOM 0 HB3 ARG A 123 17.485 0.257 -19.974 1.00 11.51 H new ATOM 0 HG2 ARG A 123 16.477 2.329 -19.778 1.00 72.43 H new ATOM 0 HG3 ARG A 123 16.775 2.283 -21.504 1.00 72.43 H new ATOM 0 HD2 ARG A 123 14.340 1.097 -21.474 1.00 34.44 H new ATOM 0 HD3 ARG A 123 14.189 2.051 -20.012 1.00 34.44 H new ATOM 0 HE ARG A 123 15.216 3.648 -22.209 1.00 24.13 H new ATOM 0 HH11 ARG A 123 12.300 2.229 -20.814 1.00 3.31 H new ATOM 0 HH12 ARG A 123 11.230 3.437 -21.531 1.00 3.31 H new ATOM 0 HH21 ARG A 123 13.834 5.198 -23.125 1.00 65.23 H new ATOM 0 HH22 ARG A 123 12.094 5.111 -22.833 1.00 65.23 H new ATOM 1968 N PRO A 124 19.241 -0.784 -22.131 1.00 2.23 N ATOM 1969 CA PRO A 124 20.467 -1.586 -22.067 1.00 72.12 C ATOM 1970 C PRO A 124 20.858 -1.934 -20.636 1.00 35.05 C ATOM 1971 O PRO A 124 20.721 -1.114 -19.726 1.00 22.30 O ATOM 1972 CB PRO A 124 21.519 -0.676 -22.704 1.00 2.35 C ATOM 1973 CG PRO A 124 21.002 0.706 -22.493 1.00 64.44 C ATOM 1974 CD PRO A 124 19.504 0.601 -22.556 1.00 54.31 C ATOM 0 HA PRO A 124 20.353 -2.546 -22.571 1.00 72.12 H new ATOM 0 HB2 PRO A 124 22.494 -0.810 -22.236 1.00 2.35 H new ATOM 0 HB3 PRO A 124 21.642 -0.895 -23.765 1.00 2.35 H new ATOM 0 HG2 PRO A 124 21.325 1.101 -21.530 1.00 64.44 H new ATOM 0 HG3 PRO A 124 21.378 1.385 -23.258 1.00 64.44 H new ATOM 0 HD2 PRO A 124 19.023 1.322 -21.896 1.00 54.31 H new ATOM 0 HD3 PRO A 124 19.130 0.791 -23.562 1.00 54.31 H new ATOM 1982 N THR A 125 21.346 -3.155 -20.440 1.00 63.03 N ATOM 1983 CA THR A 125 21.757 -3.611 -19.119 1.00 20.35 C ATOM 1984 C THR A 125 22.954 -4.552 -19.209 1.00 74.12 C ATOM 1985 O THR A 125 23.177 -5.189 -20.238 1.00 43.11 O ATOM 1986 CB THR A 125 20.606 -4.331 -18.390 1.00 22.00 C ATOM 1987 OG1 THR A 125 19.729 -4.942 -19.343 1.00 2.23 O ATOM 1988 CG2 THR A 125 19.822 -3.356 -17.523 1.00 22.40 C ATOM 0 H THR A 125 21.466 -3.846 -21.181 1.00 63.03 H new ATOM 0 HA THR A 125 22.038 -2.724 -18.552 1.00 20.35 H new ATOM 0 HB THR A 125 21.036 -5.100 -17.748 1.00 22.00 H new ATOM 0 HG1 THR A 125 19.001 -5.399 -18.872 1.00 2.23 H new ATOM 0 HG21 THR A 125 19.015 -3.886 -17.018 1.00 22.40 H new ATOM 0 HG22 THR A 125 20.486 -2.914 -16.780 1.00 22.40 H new ATOM 0 HG23 THR A 125 19.403 -2.568 -18.149 1.00 22.40 H new ATOM 1996 N ALA A 126 23.718 -4.637 -18.125 1.00 10.20 N ATOM 1997 CA ALA A 126 24.889 -5.502 -18.082 1.00 61.02 C ATOM 1998 C ALA A 126 25.033 -6.163 -16.716 1.00 21.43 C ATOM 1999 O ALA A 126 24.654 -5.605 -15.686 1.00 73.32 O ATOM 2000 CB ALA A 126 26.143 -4.711 -18.422 1.00 22.15 C ATOM 0 H ALA A 126 23.546 -4.117 -17.265 1.00 10.20 H new ATOM 0 HA ALA A 126 24.756 -6.288 -18.825 1.00 61.02 H new ATOM 0 HB1 ALA A 126 27.010 -5.370 -18.386 1.00 22.15 H new ATOM 0 HB2 ALA A 126 26.048 -4.291 -19.423 1.00 22.15 H new ATOM 0 HB3 ALA A 126 26.271 -3.904 -17.701 1.00 22.15 H new ATOM 2006 N PRO A 127 25.593 -7.382 -16.702 1.00 64.44 N ATOM 2007 CA PRO A 127 25.799 -8.146 -15.468 1.00 44.00 C ATOM 2008 C PRO A 127 26.878 -7.534 -14.582 1.00 2.43 C ATOM 2009 O PRO A 127 28.050 -7.901 -14.668 1.00 52.33 O ATOM 2010 CB PRO A 127 26.239 -9.522 -15.972 1.00 65.23 C ATOM 2011 CG PRO A 127 26.839 -9.262 -17.312 1.00 12.32 C ATOM 2012 CD PRO A 127 26.069 -8.108 -17.893 1.00 32.25 C ATOM 0 HA PRO A 127 24.902 -8.170 -14.849 1.00 44.00 H new ATOM 0 HB2 PRO A 127 26.962 -9.978 -15.296 1.00 65.23 H new ATOM 0 HB3 PRO A 127 25.394 -10.206 -16.043 1.00 65.23 H new ATOM 0 HG2 PRO A 127 27.898 -9.020 -17.225 1.00 12.32 H new ATOM 0 HG3 PRO A 127 26.764 -10.142 -17.951 1.00 12.32 H new ATOM 0 HD2 PRO A 127 26.700 -7.479 -18.521 1.00 32.25 H new ATOM 0 HD3 PRO A 127 25.240 -8.449 -18.514 1.00 32.25 H new ATOM 2020 N SER A 128 26.474 -6.598 -13.728 1.00 4.21 N ATOM 2021 CA SER A 128 27.408 -5.932 -12.826 1.00 33.11 C ATOM 2022 C SER A 128 26.719 -5.540 -11.523 1.00 14.30 C ATOM 2023 O SER A 128 25.920 -4.604 -11.488 1.00 53.45 O ATOM 2024 CB SER A 128 28.001 -4.691 -13.498 1.00 33.15 C ATOM 2025 OG SER A 128 28.623 -5.024 -14.726 1.00 31.20 O ATOM 0 H SER A 128 25.507 -6.284 -13.642 1.00 4.21 H new ATOM 0 HA SER A 128 28.212 -6.630 -12.594 1.00 33.11 H new ATOM 0 HB2 SER A 128 27.214 -3.957 -13.673 1.00 33.15 H new ATOM 0 HB3 SER A 128 28.728 -4.226 -12.833 1.00 33.15 H new ATOM 0 HG SER A 128 28.992 -4.214 -15.136 1.00 31.20 H new ATOM 2031 N SER A 129 27.033 -6.262 -10.453 1.00 65.22 N ATOM 2032 CA SER A 129 26.441 -5.993 -9.148 1.00 23.31 C ATOM 2033 C SER A 129 27.292 -6.592 -8.032 1.00 4.43 C ATOM 2034 O SER A 129 28.139 -7.450 -8.276 1.00 20.23 O ATOM 2035 CB SER A 129 25.021 -6.559 -9.081 1.00 41.42 C ATOM 2036 OG SER A 129 24.253 -5.893 -8.094 1.00 52.11 O ATOM 0 H SER A 129 27.694 -7.038 -10.464 1.00 65.22 H new ATOM 0 HA SER A 129 26.400 -4.912 -9.011 1.00 23.31 H new ATOM 0 HB2 SER A 129 24.539 -6.455 -10.053 1.00 41.42 H new ATOM 0 HB3 SER A 129 25.061 -7.625 -8.857 1.00 41.42 H new ATOM 0 HG SER A 129 23.349 -6.272 -8.072 1.00 52.11 H new ATOM 2042 N GLU A 130 27.060 -6.132 -6.807 1.00 32.12 N ATOM 2043 CA GLU A 130 27.805 -6.621 -5.653 1.00 15.01 C ATOM 2044 C GLU A 130 26.875 -7.308 -4.656 1.00 2.44 C ATOM 2045 O GLU A 130 25.670 -7.412 -4.883 1.00 73.11 O ATOM 2046 CB GLU A 130 28.544 -5.468 -4.969 1.00 73.33 C ATOM 2047 CG GLU A 130 27.662 -4.264 -4.687 1.00 4.13 C ATOM 2048 CD GLU A 130 28.248 -3.348 -3.629 1.00 53.44 C ATOM 2049 OE1 GLU A 130 27.978 -3.577 -2.432 1.00 32.25 O ATOM 2050 OE2 GLU A 130 28.974 -2.402 -3.999 1.00 42.25 O ATOM 0 H GLU A 130 26.362 -5.421 -6.588 1.00 32.12 H new ATOM 0 HA GLU A 130 28.534 -7.351 -6.006 1.00 15.01 H new ATOM 0 HB2 GLU A 130 28.968 -5.825 -4.031 1.00 73.33 H new ATOM 0 HB3 GLU A 130 29.378 -5.158 -5.598 1.00 73.33 H new ATOM 0 HG2 GLU A 130 27.516 -3.701 -5.609 1.00 4.13 H new ATOM 0 HG3 GLU A 130 26.679 -4.606 -4.363 1.00 4.13 H new ATOM 2057 N LYS A 131 27.445 -7.775 -3.550 1.00 50.22 N ATOM 2058 CA LYS A 131 26.670 -8.452 -2.517 1.00 45.53 C ATOM 2059 C LYS A 131 27.093 -7.985 -1.128 1.00 1.14 C ATOM 2060 O LYS A 131 28.188 -7.452 -0.948 1.00 35.14 O ATOM 2061 CB LYS A 131 26.842 -9.968 -2.632 1.00 4.11 C ATOM 2062 CG LYS A 131 26.471 -10.520 -3.997 1.00 43.30 C ATOM 2063 CD LYS A 131 26.941 -11.955 -4.165 1.00 52.20 C ATOM 2064 CE LYS A 131 27.848 -12.107 -5.377 1.00 2.44 C ATOM 2065 NZ LYS A 131 27.069 -12.219 -6.641 1.00 65.21 N ATOM 0 H LYS A 131 28.441 -7.697 -3.346 1.00 50.22 H new ATOM 0 HA LYS A 131 25.619 -8.201 -2.662 1.00 45.53 H new ATOM 0 HB2 LYS A 131 27.879 -10.225 -2.415 1.00 4.11 H new ATOM 0 HB3 LYS A 131 26.228 -10.454 -1.874 1.00 4.11 H new ATOM 0 HG2 LYS A 131 25.390 -10.473 -4.128 1.00 43.30 H new ATOM 0 HG3 LYS A 131 26.914 -9.898 -4.775 1.00 43.30 H new ATOM 0 HD2 LYS A 131 27.474 -12.272 -3.268 1.00 52.20 H new ATOM 0 HD3 LYS A 131 26.077 -12.612 -4.271 1.00 52.20 H new ATOM 0 HE2 LYS A 131 28.519 -11.250 -5.438 1.00 2.44 H new ATOM 0 HE3 LYS A 131 28.472 -12.992 -5.255 1.00 2.44 H new ATOM 0 HZ1 LYS A 131 27.722 -12.321 -7.444 1.00 65.21 H new ATOM 0 HZ2 LYS A 131 26.447 -13.051 -6.593 1.00 65.21 H new ATOM 0 HZ3 LYS A 131 26.493 -11.363 -6.771 1.00 65.21 H new ATOM 2079 N GLY A 132 26.218 -8.191 -0.147 1.00 63.34 N ATOM 2080 CA GLY A 132 26.521 -7.787 1.213 1.00 22.12 C ATOM 2081 C GLY A 132 25.286 -7.739 2.092 1.00 41.13 C ATOM 2082 O GLY A 132 24.925 -6.683 2.609 1.00 55.44 O ATOM 0 H GLY A 132 25.306 -8.630 -0.271 1.00 63.34 H new ATOM 0 HA2 GLY A 132 27.243 -8.482 1.643 1.00 22.12 H new ATOM 0 HA3 GLY A 132 26.993 -6.804 1.200 1.00 22.12 H new ATOM 2086 N GLY A 133 24.636 -8.886 2.259 1.00 32.22 N ATOM 2087 CA GLY A 133 23.440 -8.948 3.080 1.00 11.24 C ATOM 2088 C GLY A 133 23.688 -9.615 4.418 1.00 65.30 C ATOM 2089 O GLY A 133 24.560 -10.474 4.537 1.00 23.45 O ATOM 0 H GLY A 133 24.916 -9.773 1.841 1.00 32.22 H new ATOM 0 HA2 GLY A 133 23.064 -7.938 3.245 1.00 11.24 H new ATOM 0 HA3 GLY A 133 22.663 -9.494 2.544 1.00 11.24 H new ATOM 2093 N ASN A 134 22.920 -9.218 5.427 1.00 70.20 N ATOM 2094 CA ASN A 134 23.063 -9.782 6.764 1.00 25.24 C ATOM 2095 C ASN A 134 22.481 -11.191 6.825 1.00 32.32 C ATOM 2096 O ASN A 134 21.292 -11.373 7.090 1.00 42.52 O ATOM 2097 CB ASN A 134 22.372 -8.888 7.795 1.00 54.54 C ATOM 2098 CG ASN A 134 23.337 -7.937 8.475 1.00 3.14 C ATOM 2099 OD1 ASN A 134 23.417 -6.760 8.125 1.00 13.34 O ATOM 2100 ND2 ASN A 134 24.076 -8.445 9.455 1.00 51.45 N ATOM 0 H ASN A 134 22.192 -8.508 5.344 1.00 70.20 H new ATOM 0 HA ASN A 134 24.127 -9.837 6.996 1.00 25.24 H new ATOM 0 HB2 ASN A 134 21.585 -8.314 7.305 1.00 54.54 H new ATOM 0 HB3 ASN A 134 21.890 -9.512 8.548 1.00 54.54 H new ATOM 0 HD21 ASN A 134 24.743 -7.853 9.950 1.00 51.45 H new ATOM 0 HD22 ASN A 134 23.977 -9.427 9.712 1.00 51.45 H new ATOM 2107 N TYR A 135 23.327 -12.186 6.580 1.00 72.34 N ATOM 2108 CA TYR A 135 22.897 -13.579 6.604 1.00 34.22 C ATOM 2109 C TYR A 135 24.087 -14.514 6.803 1.00 55.42 C ATOM 2110 O TYR A 135 23.891 -15.722 6.924 1.00 63.01 O ATOM 2111 CB TYR A 135 22.167 -13.932 5.307 1.00 65.12 C ATOM 2112 CG TYR A 135 20.716 -14.305 5.510 1.00 42.24 C ATOM 2113 CD1 TYR A 135 20.359 -15.570 5.959 1.00 15.31 C ATOM 2114 CD2 TYR A 135 19.702 -13.390 5.255 1.00 73.22 C ATOM 2115 CE1 TYR A 135 19.034 -15.915 6.145 1.00 14.22 C ATOM 2116 CE2 TYR A 135 18.375 -13.725 5.439 1.00 54.01 C ATOM 2117 CZ TYR A 135 18.046 -14.989 5.884 1.00 14.32 C ATOM 2118 OH TYR A 135 16.725 -15.327 6.070 1.00 71.24 O ATOM 0 H TYR A 135 24.315 -12.053 6.362 1.00 72.34 H new ATOM 0 HA TYR A 135 22.214 -13.707 7.444 1.00 34.22 H new ATOM 0 HB2 TYR A 135 22.223 -13.083 4.626 1.00 65.12 H new ATOM 0 HB3 TYR A 135 22.683 -14.762 4.824 1.00 65.12 H new ATOM 0 HD1 TYR A 135 21.131 -16.297 6.166 1.00 15.31 H new ATOM 0 HD2 TYR A 135 19.956 -12.400 4.907 1.00 73.22 H new ATOM 0 HE1 TYR A 135 18.774 -16.904 6.493 1.00 14.22 H new ATOM 0 HE2 TYR A 135 17.599 -13.002 5.236 1.00 54.01 H new ATOM 0 HH TYR A 135 16.156 -14.562 5.842 1.00 71.24 H new TER 2128 TYR A 135 HETATM 2129 C1 MYR A 1 7.461 11.526 1.286 1.00 11.13 C HETATM 2130 O2 MYR A 1 6.432 12.010 0.815 1.00 13.13 O HETATM 2131 C2 MYR A 1 8.601 11.173 0.330 1.00 4.13 C HETATM 2132 C3 MYR A 1 8.758 9.660 0.048 1.00 13.41 C HETATM 2133 C4 MYR A 1 8.496 9.316 -1.430 1.00 3.13 C HETATM 2134 C5 MYR A 1 8.448 7.796 -1.672 1.00 64.43 C HETATM 2135 C6 MYR A 1 7.351 7.107 -0.838 1.00 13.32 C HETATM 2136 C7 MYR A 1 6.366 6.311 -1.715 1.00 30.24 C HETATM 2137 C8 MYR A 1 5.045 6.010 -0.981 1.00 65.55 C HETATM 2138 C9 MYR A 1 3.836 6.676 -1.664 1.00 74.14 C HETATM 2139 C10 MYR A 1 2.904 5.646 -2.336 1.00 32.33 C HETATM 2140 C11 MYR A 1 1.772 5.124 -1.425 1.00 3.44 C HETATM 2141 C12 MYR A 1 1.953 3.665 -0.958 1.00 52.13 C HETATM 2142 C13 MYR A 1 0.669 3.090 -0.335 1.00 33.10 C HETATM 2143 C14 MYR A 1 0.721 1.560 -0.232 1.00 14.12 C HETATM 0 H143 MYR A 1 0.839 1.132 -1.228 1.00 14.12 H new HETATM 0 H142 MYR A 1 1.565 1.266 0.392 1.00 14.12 H new HETATM 0 H141 MYR A 1 -0.204 1.194 0.213 1.00 14.12 H new HETATM 0 H132 MYR A 1 0.524 3.516 0.658 1.00 33.10 H new HETATM 0 H131 MYR A 1 -0.191 3.385 -0.937 1.00 33.10 H new HETATM 0 H122 MYR A 1 2.251 3.048 -1.806 1.00 52.13 H new HETATM 0 H121 MYR A 1 2.762 3.616 -0.229 1.00 52.13 H new HETATM 0 H112 MYR A 1 1.702 5.768 -0.548 1.00 3.44 H new HETATM 0 H111 MYR A 1 0.825 5.207 -1.958 1.00 3.44 H new HETATM 0 H102 MYR A 1 2.461 6.099 -3.223 1.00 32.33 H new HETATM 0 H101 MYR A 1 3.501 4.800 -2.675 1.00 32.33 H new HETATM 0 H92 MYR A 1 3.272 7.246 -0.925 1.00 74.14 H new HETATM 0 H91 MYR A 1 4.189 7.386 -2.412 1.00 74.14 H new HETATM 0 H82 MYR A 1 4.890 4.932 -0.943 1.00 65.55 H new HETATM 0 H81 MYR A 1 5.116 6.359 0.049 1.00 65.55 H new HETATM 0 H72 MYR A 1 6.154 6.874 -2.624 1.00 30.24 H new HETATM 0 H71 MYR A 1 6.831 5.374 -2.022 1.00 30.24 H new HETATM 0 H62 MYR A 1 7.815 6.436 -0.115 1.00 13.32 H new HETATM 0 H61 MYR A 1 6.803 7.859 -0.270 1.00 13.32 H new HETATM 0 H52 MYR A 1 8.272 7.604 -2.730 1.00 64.43 H new HETATM 0 H51 MYR A 1 9.416 7.360 -1.426 1.00 64.43 H new HETATM 0 H42 MYR A 1 7.552 9.762 -1.744 1.00 3.13 H new HETATM 0 H41 MYR A 1 9.278 9.756 -2.048 1.00 3.13 H new HETATM 0 H32 MYR A 1 9.765 9.343 0.320 1.00 13.41 H new HETATM 0 H31 MYR A 1 8.067 9.101 0.678 1.00 13.41 H new HETATM 0 H22 MYR A 1 8.439 11.691 -0.615 1.00 4.13 H new HETATM 0 H21 MYR A 1 9.536 11.551 0.744 1.00 4.13 H new HETATM 2171 P1 PBU A 300 9.473 -11.545 3.798 1.00 21.44 P HETATM 2172 P4 PBU A 300 6.155 -18.263 -0.052 1.00 22.13 P HETATM 2173 P5 PBU A 300 7.657 -15.758 -2.824 1.00 55.44 P HETATM 2174 C3' PBU A 300 10.232 -9.364 2.817 1.00 73.14 C HETATM 2175 C2' PBU A 300 10.997 -9.512 1.478 1.00 11.00 C HETATM 2176 O2' PBU A 300 10.186 -10.241 0.572 1.00 14.23 O HETATM 2177 C1' PBU A 300 12.342 -10.255 1.660 1.00 24.22 C HETATM 2178 O1' PBU A 300 12.229 -11.559 1.129 1.00 63.11 O HETATM 2179 C1 PBU A 300 7.956 -12.926 1.702 1.00 32.05 C HETATM 2180 O1 PBU A 300 8.954 -11.896 2.250 1.00 55.15 O HETATM 2181 C2 PBU A 300 7.544 -14.059 2.702 1.00 55.22 C HETATM 2182 O2 PBU A 300 8.658 -14.779 3.222 1.00 55.13 O HETATM 2183 C3 PBU A 300 6.573 -15.054 2.026 1.00 41.20 C HETATM 2184 O3 PBU A 300 6.241 -16.065 2.989 1.00 50.03 O HETATM 2185 C4 PBU A 300 7.203 -15.669 0.716 1.00 33.14 C HETATM 2186 O4 PBU A 300 6.197 -16.600 0.061 1.00 50.20 O HETATM 2187 C5 PBU A 300 7.595 -14.491 -0.259 1.00 41.31 C HETATM 2188 O5 PBU A 300 8.236 -15.060 -1.447 1.00 55.12 O HETATM 2189 C6 PBU A 300 8.562 -13.472 0.397 1.00 72.24 C HETATM 2190 O6 PBU A 300 8.824 -12.345 -0.452 1.00 15.21 O HETATM 2191 C7 PBU A 300 9.001 -9.618 0.110 1.00 44.44 C HETATM 2192 O7 PBU A 300 7.915 -10.063 0.408 1.00 21.44 O HETATM 2193 C8 PBU A 300 9.095 -8.356 -0.766 1.00 3.21 C HETATM 2194 C9 PBU A 300 7.903 -8.295 -1.740 1.00 42.31 C HETATM 2195 C10 PBU A 300 6.667 -7.750 -1.003 1.00 74.04 C HETATM 2196 C11 PBU A 300 12.770 -12.683 1.785 1.00 54.14 C HETATM 2197 O11 PBU A 300 13.101 -12.705 2.955 1.00 3.45 O HETATM 2198 C12 PBU A 300 12.989 -13.935 0.891 1.00 35.53 C HETATM 2199 C13 PBU A 300 14.327 -14.648 1.153 1.00 41.03 C HETATM 2200 C14 PBU A 300 14.168 -15.758 2.207 1.00 61.44 C HETATM 2201 O41 PBU A 300 5.408 -18.563 1.245 1.00 25.54 O HETATM 2202 O42 PBU A 300 5.379 -18.562 -1.305 1.00 41.30 O HETATM 2203 O43 PBU A 300 7.571 -18.810 -0.136 1.00 73.31 O HETATM 2204 O51 PBU A 300 8.636 -15.206 -3.841 1.00 64.02 O HETATM 2205 O52 PBU A 300 7.723 -17.245 -2.518 1.00 71.33 O HETATM 2206 O53 PBU A 300 6.260 -15.193 -2.937 1.00 33.35 O HETATM 2207 OP1 PBU A 300 10.489 -10.447 3.684 1.00 35.43 O HETATM 2208 OP2 PBU A 300 8.189 -11.127 4.520 1.00 42.41 O HETATM 2209 OP3 PBU A 300 10.130 -12.824 4.250 1.00 54.32 O HETATM 0 H3'2 PBU A 300 10.523 -8.432 3.302 1.00 73.14 H new HETATM 0 H3'1 PBU A 300 9.162 -9.301 2.620 1.00 73.14 H new HETATM 0 H143 PBU A 300 13.816 -15.324 3.143 1.00 61.44 H new HETATM 0 H142 PBU A 300 13.445 -16.494 1.854 1.00 61.44 H new HETATM 0 H141 PBU A 300 15.130 -16.244 2.371 1.00 61.44 H new HETATM 0 H132 PBU A 300 14.702 -15.076 0.224 1.00 41.03 H new HETATM 0 H131 PBU A 300 15.068 -13.924 1.492 1.00 41.03 H new HETATM 0 H122 PBU A 300 12.173 -14.638 1.057 1.00 35.53 H new HETATM 0 H121 PBU A 300 12.944 -13.636 -0.156 1.00 35.53 H new HETATM 0 H1'2 PBU A 300 13.142 -9.712 1.156 1.00 24.22 H new HETATM 0 H1'1 PBU A 300 12.605 -10.301 2.717 1.00 24.22 H new HETATM 0 H92 PBU A 300 8.145 -7.655 -2.589 1.00 42.31 H new HETATM 0 H91 PBU A 300 7.694 -9.288 -2.139 1.00 42.31 H new HETATM 0 H82 PBU A 300 9.105 -7.467 -0.136 1.00 3.21 H new HETATM 0 H81 PBU A 300 10.031 -8.361 -1.325 1.00 3.21 H new HETATM 0 H6 PBU A 300 9.492 -14.010 0.583 1.00 72.24 H new HETATM 0 H5 PBU A 300 6.682 -13.955 -0.517 1.00 41.31 H new HETATM 0 H4 PBU A 300 8.097 -16.244 0.957 1.00 33.14 H new HETATM 0 H3 PBU A 300 5.665 -14.540 1.709 1.00 41.20 H new HETATM 0 H2' PBU A 300 11.215 -8.514 1.097 1.00 11.00 H new HETATM 0 H2 PBU A 300 7.054 -13.559 3.537 1.00 55.22 H new HETATM 0 H13 PBU A 300 6.422 -8.407 -0.169 1.00 74.04 H new HETATM 0 H12 PBU A 300 6.880 -6.750 -0.626 1.00 74.04 H new HETATM 0 H11 PBU A 300 5.823 -7.706 -1.691 1.00 74.04 H new HETATM 0 H1 PBU A 300 7.003 -12.429 1.522 1.00 32.05 H new HETATM 0 H06 PBU A 300 8.160 -11.645 -0.281 1.00 15.21 H new HETATM 0 H03 PBU A 300 5.968 -16.883 2.524 1.00 50.03 H new HETATM 0 H02 PBU A 300 9.106 -14.239 3.906 1.00 55.13 H new