USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 733 hydrogens (16 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 NoAdj-H: B 216 TYS HN2 : B 216 TYS N : B 215 SER C :(H bumps) USER MOD NoAdj-H: B 216 TYS H : B 216 TYS N : B 215 SER C :(H bumps) USER MOD NoAdj-H: B 217 TYS HN2 : B 217 TYS N : B 216 TYS C :(H bumps) USER MOD Set 1.1: A 43 THR OG1 : rot -156:sc= 0.0568! USER MOD Set 1.2: B 217 TYS O3 : rot -90:sc= -4.55! USER MOD Single : A 1 GLY N :NH3+ -111:sc= -0.251 (180deg=-1.56!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -30:sc= 0.213 USER MOD Single : A 8 THR OG1 : rot -20:sc= 0.292 USER MOD Single : A 12 ASN : amide:sc= -2.01 K(o=-2,f=-6!) USER MOD Single : A 15 ASN : amide:sc= -2.4! C(o=-2.4!,f=-7.5!) USER MOD Single : A 17 LYS NZ :NH3+ -153:sc= -0.257 (180deg=-1.22) USER MOD Single : A 21 GLN : amide:sc= -0.165 X(o=-0.16,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.776! USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 56:sc= 0.252 USER MOD Single : A 31 SER OG : rot 180:sc=-0.00459 USER MOD Single : A 33 LYS NZ :NH3+ -154:sc= -7.52! (180deg=-8.61!) USER MOD Single : A 36 GLN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -148:sc= -5.03! (180deg=-5.71!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -159:sc= -0.0191 (180deg=-0.235) USER MOD Single : A 47 LYS NZ :NH3+ 127:sc= -0.165 (180deg=-0.835) USER MOD Single : A 54 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0225) USER MOD Single : A 55 LYS NZ :NH3+ 169:sc= -1.42! (180deg=-1.71!) USER MOD Single : A 56 LYS NZ :NH3+ 133:sc= -4.08! (180deg=-6.6!) USER MOD Single : A 59 GLN : amide:sc= -0.0301 X(o=-0.03,f=0) USER MOD Single : A 61 SER OG : rot -139:sc= 1.71 USER MOD Single : A 62 MET CE :methyl -177:sc= -0.699 (180deg=-0.757) USER MOD Single : A 63 LYS NZ :NH3+ -151:sc= -0.142 (180deg=-0.721) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.13) USER MOD Single : A 68 LYS NZ :NH3+ -113:sc= -2.02 (180deg=-4.67!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -24:sc= 0.736 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 210 THR OG1 : rot -27:sc= 0.485 USER MOD Single : B 213 THR OG1 : rot -61:sc= 1.18 USER MOD Single : B 214 THR OG1 : rot 37:sc= 0.725 USER MOD Single : B 215 SER OG : rot -135:sc= 0.0129 USER MOD Single : B 216 TYS O3 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.836 -14.617 -0.044 1.00 0.00 N ATOM 2 CA GLY A 1 6.674 -13.789 0.387 1.00 0.00 C ATOM 3 C GLY A 1 5.987 -13.196 -0.838 1.00 0.00 C ATOM 4 O GLY A 1 6.132 -12.008 -1.129 1.00 0.00 O ATOM 0 H1 GLY A 1 7.634 -15.621 0.140 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.003 -14.478 -1.061 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.683 -14.331 0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.969 -14.399 0.952 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.009 -12.992 1.051 1.00 0.00 H new ATOM 10 N PRO A 2 5.247 -13.999 -1.556 1.00 0.00 N ATOM 11 CA PRO A 2 4.521 -13.548 -2.779 1.00 0.00 C ATOM 12 C PRO A 2 3.743 -12.253 -2.543 1.00 0.00 C ATOM 13 O PRO A 2 3.592 -11.807 -1.405 1.00 0.00 O ATOM 14 CB PRO A 2 3.579 -14.719 -3.089 1.00 0.00 C ATOM 15 CG PRO A 2 4.265 -15.920 -2.520 1.00 0.00 C ATOM 16 CD PRO A 2 5.021 -15.429 -1.281 1.00 0.00 C ATOM 0 HA PRO A 2 5.198 -13.315 -3.601 1.00 0.00 H new ATOM 0 HB2 PRO A 2 2.600 -14.570 -2.634 1.00 0.00 H new ATOM 0 HB3 PRO A 2 3.420 -14.825 -4.162 1.00 0.00 H new ATOM 0 HG2 PRO A 2 3.543 -16.693 -2.255 1.00 0.00 H new ATOM 0 HG3 PRO A 2 4.950 -16.359 -3.246 1.00 0.00 H new ATOM 0 HD2 PRO A 2 4.438 -15.575 -0.372 1.00 0.00 H new ATOM 0 HD3 PRO A 2 5.961 -15.965 -1.146 1.00 0.00 H new ATOM 24 N ALA A 3 3.255 -11.655 -3.624 1.00 0.00 N ATOM 25 CA ALA A 3 2.497 -10.414 -3.523 1.00 0.00 C ATOM 26 C ALA A 3 1.338 -10.573 -2.545 1.00 0.00 C ATOM 27 O ALA A 3 0.238 -10.970 -2.929 1.00 0.00 O ATOM 28 CB ALA A 3 1.957 -10.018 -4.898 1.00 0.00 C ATOM 0 H ALA A 3 3.370 -12.007 -4.575 1.00 0.00 H new ATOM 0 HA ALA A 3 3.162 -9.632 -3.156 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.392 -9.090 -4.813 1.00 0.00 H new ATOM 0 HB2 ALA A 3 2.789 -9.875 -5.588 1.00 0.00 H new ATOM 0 HB3 ALA A 3 1.305 -10.807 -5.274 1.00 0.00 H new ATOM 34 N SER A 4 1.591 -10.258 -1.278 1.00 0.00 N ATOM 35 CA SER A 4 0.561 -10.371 -0.253 1.00 0.00 C ATOM 36 C SER A 4 -0.014 -11.783 -0.222 1.00 0.00 C ATOM 37 O SER A 4 -0.767 -12.177 -1.113 1.00 0.00 O ATOM 38 CB SER A 4 -0.559 -9.367 -0.527 1.00 0.00 C ATOM 39 OG SER A 4 -0.022 -8.051 -0.528 1.00 0.00 O ATOM 0 H SER A 4 2.494 -9.925 -0.939 1.00 0.00 H new ATOM 0 HA SER A 4 1.013 -10.156 0.715 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.028 -9.581 -1.487 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.335 -9.455 0.233 1.00 0.00 H new ATOM 0 HG SER A 4 -0.738 -7.406 -0.705 1.00 0.00 H new ATOM 45 N VAL A 5 0.346 -12.540 0.810 1.00 0.00 N ATOM 46 CA VAL A 5 -0.141 -13.909 0.946 1.00 0.00 C ATOM 47 C VAL A 5 -1.663 -13.914 1.121 1.00 0.00 C ATOM 48 O VAL A 5 -2.226 -12.963 1.662 1.00 0.00 O ATOM 49 CB VAL A 5 0.517 -14.568 2.160 1.00 0.00 C ATOM 50 CG1 VAL A 5 1.977 -14.896 1.840 1.00 0.00 C ATOM 51 CG2 VAL A 5 0.461 -13.607 3.350 1.00 0.00 C ATOM 0 H VAL A 5 0.967 -12.233 1.558 1.00 0.00 H new ATOM 0 HA VAL A 5 0.113 -14.467 0.045 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.014 -15.488 2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.443 -15.365 2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.019 -15.579 0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.511 -13.978 1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.929 -14.074 4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.992 -12.688 3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.578 -13.374 3.581 1.00 0.00 H new ATOM 61 N PRO A 6 -2.340 -14.952 0.686 1.00 0.00 N ATOM 62 CA PRO A 6 -3.825 -15.044 0.818 1.00 0.00 C ATOM 63 C PRO A 6 -4.253 -15.295 2.264 1.00 0.00 C ATOM 64 O PRO A 6 -4.167 -16.417 2.762 1.00 0.00 O ATOM 65 CB PRO A 6 -4.191 -16.228 -0.089 1.00 0.00 C ATOM 66 CG PRO A 6 -2.977 -17.098 -0.084 1.00 0.00 C ATOM 67 CD PRO A 6 -1.780 -16.149 0.022 1.00 0.00 C ATOM 0 HA PRO A 6 -4.329 -14.120 0.536 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.063 -16.762 0.289 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -4.435 -15.894 -1.097 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -2.999 -17.794 0.755 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -2.922 -17.696 -0.993 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -0.971 -16.589 0.605 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -1.372 -15.908 -0.959 1.00 0.00 H new ATOM 75 N THR A 7 -4.714 -14.240 2.930 1.00 0.00 N ATOM 76 CA THR A 7 -5.153 -14.356 4.316 1.00 0.00 C ATOM 77 C THR A 7 -5.925 -13.112 4.739 1.00 0.00 C ATOM 78 O THR A 7 -7.050 -13.205 5.232 1.00 0.00 O ATOM 79 CB THR A 7 -3.943 -14.546 5.233 1.00 0.00 C ATOM 80 OG1 THR A 7 -3.148 -15.621 4.750 1.00 0.00 O ATOM 81 CG2 THR A 7 -4.418 -14.857 6.652 1.00 0.00 C ATOM 0 H THR A 7 -4.793 -13.303 2.536 1.00 0.00 H new ATOM 0 HA THR A 7 -5.810 -15.222 4.398 1.00 0.00 H new ATOM 0 HB THR A 7 -3.350 -13.632 5.245 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.721 -16.275 4.298 1.00 0.00 H new ATOM 0 HG21 THR A 7 -3.555 -14.992 7.303 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.026 -14.031 7.021 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.013 -15.770 6.645 1.00 0.00 H new ATOM 89 N THR A 8 -5.313 -11.948 4.544 1.00 0.00 N ATOM 90 CA THR A 8 -5.953 -10.689 4.910 1.00 0.00 C ATOM 91 C THR A 8 -5.284 -9.521 4.195 1.00 0.00 C ATOM 92 O THR A 8 -4.058 -9.466 4.088 1.00 0.00 O ATOM 93 CB THR A 8 -5.868 -10.480 6.424 1.00 0.00 C ATOM 94 OG1 THR A 8 -6.447 -11.595 7.087 1.00 0.00 O ATOM 95 CG2 THR A 8 -6.622 -9.206 6.808 1.00 0.00 C ATOM 0 H THR A 8 -4.382 -11.850 4.138 1.00 0.00 H new ATOM 0 HA THR A 8 -6.999 -10.734 4.608 1.00 0.00 H new ATOM 0 HB THR A 8 -4.824 -10.383 6.720 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.038 -12.073 6.468 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.561 -9.058 7.886 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.176 -8.352 6.299 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.667 -9.299 6.513 1.00 0.00 H new ATOM 103 N CYS A 9 -6.095 -8.589 3.705 1.00 0.00 N ATOM 104 CA CYS A 9 -5.568 -7.427 3.001 1.00 0.00 C ATOM 105 C CYS A 9 -4.683 -6.595 3.928 1.00 0.00 C ATOM 106 O CYS A 9 -3.464 -6.761 3.952 1.00 0.00 O ATOM 107 CB CYS A 9 -6.724 -6.568 2.469 1.00 0.00 C ATOM 108 SG CYS A 9 -7.302 -7.249 0.895 1.00 0.00 S ATOM 0 H CYS A 9 -7.112 -8.615 3.782 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.964 -7.773 2.162 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -7.540 -6.549 3.191 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -6.394 -5.538 2.333 1.00 0.00 H new ATOM 113 N CYS A 10 -5.307 -5.697 4.684 1.00 0.00 N ATOM 114 CA CYS A 10 -4.565 -4.840 5.604 1.00 0.00 C ATOM 115 C CYS A 10 -5.520 -4.011 6.455 1.00 0.00 C ATOM 116 O CYS A 10 -5.435 -2.784 6.475 1.00 0.00 O ATOM 117 CB CYS A 10 -3.657 -3.901 4.810 1.00 0.00 C ATOM 118 SG CYS A 10 -4.670 -2.909 3.685 1.00 0.00 S ATOM 0 H CYS A 10 -6.315 -5.544 4.679 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.966 -5.473 6.259 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.102 -3.252 5.488 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.922 -4.476 4.246 1.00 0.00 H new ATOM 123 N PHE A 11 -6.429 -4.685 7.151 1.00 0.00 N ATOM 124 CA PHE A 11 -7.396 -3.992 7.995 1.00 0.00 C ATOM 125 C PHE A 11 -8.290 -3.091 7.149 1.00 0.00 C ATOM 126 O PHE A 11 -9.472 -3.379 6.958 1.00 0.00 O ATOM 127 CB PHE A 11 -6.669 -3.155 9.051 1.00 0.00 C ATOM 128 CG PHE A 11 -5.518 -3.950 9.619 1.00 0.00 C ATOM 129 CD1 PHE A 11 -5.749 -4.896 10.625 1.00 0.00 C ATOM 130 CD2 PHE A 11 -4.218 -3.741 9.141 1.00 0.00 C ATOM 131 CE1 PHE A 11 -4.682 -5.634 11.152 1.00 0.00 C ATOM 132 CE2 PHE A 11 -3.151 -4.478 9.668 1.00 0.00 C ATOM 133 CZ PHE A 11 -3.382 -5.424 10.674 1.00 0.00 C ATOM 0 H PHE A 11 -6.517 -5.701 7.148 1.00 0.00 H new ATOM 0 HA PHE A 11 -8.016 -4.737 8.494 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.302 -2.230 8.607 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -7.359 -2.875 9.847 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.751 -5.057 10.995 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.039 -3.011 8.366 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.861 -6.365 11.927 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.149 -4.317 9.298 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.558 -5.992 11.081 1.00 0.00 H new ATOM 143 N ASN A 12 -7.718 -2.003 6.642 1.00 0.00 N ATOM 144 CA ASN A 12 -8.476 -1.073 5.812 1.00 0.00 C ATOM 145 C ASN A 12 -7.550 -0.043 5.167 1.00 0.00 C ATOM 146 O ASN A 12 -6.706 -0.390 4.340 1.00 0.00 O ATOM 147 CB ASN A 12 -9.537 -0.365 6.658 1.00 0.00 C ATOM 148 CG ASN A 12 -8.920 0.133 7.961 1.00 0.00 C ATOM 149 OD1 ASN A 12 -7.704 0.308 8.046 1.00 0.00 O ATOM 150 ND2 ASN A 12 -9.690 0.372 8.988 1.00 0.00 N ATOM 0 H ASN A 12 -6.742 -1.745 6.789 1.00 0.00 H new ATOM 0 HA ASN A 12 -8.966 -1.639 5.019 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -9.957 0.473 6.102 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -10.358 -1.049 6.873 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -9.285 0.704 9.863 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -10.697 0.226 8.915 1.00 0.00 H new ATOM 157 N LEU A 13 -7.718 1.228 5.539 1.00 0.00 N ATOM 158 CA LEU A 13 -6.898 2.310 4.983 1.00 0.00 C ATOM 159 C LEU A 13 -5.935 2.860 6.030 1.00 0.00 C ATOM 160 O LEU A 13 -5.424 2.121 6.871 1.00 0.00 O ATOM 161 CB LEU A 13 -7.802 3.440 4.484 1.00 0.00 C ATOM 162 CG LEU A 13 -8.981 2.853 3.703 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.866 3.991 3.185 1.00 0.00 C ATOM 164 CD2 LEU A 13 -8.456 2.034 2.518 1.00 0.00 C ATOM 0 H LEU A 13 -8.412 1.534 6.221 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.317 1.905 4.154 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.168 4.025 5.328 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.234 4.119 3.848 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.564 2.207 4.359 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.706 3.575 2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.241 4.572 4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.282 4.637 2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.296 1.617 1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.871 2.678 1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.826 1.224 2.886 1.00 0.00 H new ATOM 176 N ALA A 14 -5.691 4.166 5.965 1.00 0.00 N ATOM 177 CA ALA A 14 -4.784 4.821 6.903 1.00 0.00 C ATOM 178 C ALA A 14 -5.107 6.310 6.999 1.00 0.00 C ATOM 179 O ALA A 14 -6.255 6.717 6.829 1.00 0.00 O ATOM 180 CB ALA A 14 -3.339 4.637 6.434 1.00 0.00 C ATOM 0 H ALA A 14 -6.108 4.790 5.274 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.908 4.369 7.887 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.664 5.127 7.136 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.104 3.574 6.387 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.218 5.080 5.445 1.00 0.00 H new ATOM 186 N ASN A 15 -4.086 7.120 7.266 1.00 0.00 N ATOM 187 CA ASN A 15 -4.276 8.563 7.369 1.00 0.00 C ATOM 188 C ASN A 15 -2.931 9.276 7.426 1.00 0.00 C ATOM 189 O ASN A 15 -1.895 8.700 7.097 1.00 0.00 O ATOM 190 CB ASN A 15 -5.105 8.907 8.615 1.00 0.00 C ATOM 191 CG ASN A 15 -5.754 10.281 8.457 1.00 0.00 C ATOM 192 OD1 ASN A 15 -5.221 11.281 8.939 1.00 0.00 O ATOM 193 ND2 ASN A 15 -6.880 10.390 7.806 1.00 0.00 N ATOM 0 H ASN A 15 -3.127 6.805 7.414 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.814 8.901 6.484 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.874 8.150 8.769 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.467 8.898 9.499 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.319 11.304 7.696 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.321 9.561 7.407 1.00 0.00 H new ATOM 200 N ARG A 16 -2.961 10.535 7.839 1.00 0.00 N ATOM 201 CA ARG A 16 -1.748 11.333 7.933 1.00 0.00 C ATOM 202 C ARG A 16 -1.146 11.557 6.547 1.00 0.00 C ATOM 203 O ARG A 16 -1.838 12.000 5.630 1.00 0.00 O ATOM 204 CB ARG A 16 -0.728 10.647 8.850 1.00 0.00 C ATOM 205 CG ARG A 16 -1.443 10.076 10.084 1.00 0.00 C ATOM 206 CD ARG A 16 -0.431 9.837 11.209 1.00 0.00 C ATOM 207 NE ARG A 16 -1.083 9.203 12.351 1.00 0.00 N ATOM 208 CZ ARG A 16 -1.293 7.890 12.383 1.00 0.00 C ATOM 209 NH1 ARG A 16 -0.919 7.145 11.378 1.00 0.00 N ATOM 210 NH2 ARG A 16 -1.872 7.346 13.417 1.00 0.00 N ATOM 0 H ARG A 16 -3.812 11.025 8.114 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.005 12.302 8.360 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.219 9.848 8.311 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.036 11.361 9.158 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.216 10.767 10.419 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.941 9.141 9.826 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.381 9.206 10.849 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.013 10.784 11.515 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.383 9.777 13.139 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.466 7.570 10.569 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.080 6.138 11.402 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.164 7.927 14.202 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.033 6.339 13.440 1.00 0.00 H new ATOM 224 N LYS A 17 0.142 11.258 6.395 1.00 0.00 N ATOM 225 CA LYS A 17 0.804 11.447 5.107 1.00 0.00 C ATOM 226 C LYS A 17 2.107 10.652 5.035 1.00 0.00 C ATOM 227 O LYS A 17 2.892 10.636 5.982 1.00 0.00 O ATOM 228 CB LYS A 17 1.089 12.939 4.889 1.00 0.00 C ATOM 229 CG LYS A 17 1.966 13.136 3.641 1.00 0.00 C ATOM 230 CD LYS A 17 1.785 14.557 3.097 1.00 0.00 C ATOM 231 CE LYS A 17 2.802 14.813 1.983 1.00 0.00 C ATOM 232 NZ LYS A 17 4.180 14.619 2.515 1.00 0.00 N ATOM 0 H LYS A 17 0.740 10.890 7.135 1.00 0.00 H new ATOM 0 HA LYS A 17 0.141 11.082 4.322 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.151 13.483 4.773 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.591 13.352 5.764 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.013 12.963 3.890 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.696 12.407 2.877 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.772 14.685 2.715 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.918 15.284 3.898 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.623 14.134 1.150 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.689 15.826 1.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.848 15.199 1.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.210 14.906 3.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.445 13.617 2.434 1.00 0.00 H new ATOM 246 N ILE A 18 2.326 10.001 3.893 1.00 0.00 N ATOM 247 CA ILE A 18 3.536 9.207 3.679 1.00 0.00 C ATOM 248 C ILE A 18 4.650 10.115 3.126 1.00 0.00 C ATOM 249 O ILE A 18 4.396 10.893 2.205 1.00 0.00 O ATOM 250 CB ILE A 18 3.216 8.074 2.668 1.00 0.00 C ATOM 251 CG1 ILE A 18 2.583 6.868 3.400 1.00 0.00 C ATOM 252 CG2 ILE A 18 4.475 7.625 1.897 1.00 0.00 C ATOM 253 CD1 ILE A 18 3.660 5.954 4.008 1.00 0.00 C ATOM 0 H ILE A 18 1.682 10.008 3.102 1.00 0.00 H new ATOM 0 HA ILE A 18 3.873 8.770 4.619 1.00 0.00 H new ATOM 0 HB ILE A 18 2.505 8.469 1.943 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.920 7.225 4.188 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.970 6.297 2.702 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.210 6.831 1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.885 8.471 1.345 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.220 7.256 2.601 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.182 5.116 4.515 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.307 5.577 3.216 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.255 6.520 4.724 1.00 0.00 H new ATOM 265 N PRO A 19 5.867 10.041 3.630 1.00 0.00 N ATOM 266 CA PRO A 19 6.979 10.894 3.107 1.00 0.00 C ATOM 267 C PRO A 19 7.301 10.550 1.649 1.00 0.00 C ATOM 268 O PRO A 19 7.408 9.378 1.288 1.00 0.00 O ATOM 269 CB PRO A 19 8.155 10.579 4.047 1.00 0.00 C ATOM 270 CG PRO A 19 7.851 9.226 4.591 1.00 0.00 C ATOM 271 CD PRO A 19 6.337 9.170 4.731 1.00 0.00 C ATOM 0 HA PRO A 19 6.733 11.956 3.097 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.104 10.586 3.511 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.234 11.318 4.844 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.212 8.445 3.922 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.339 9.072 5.553 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.960 8.152 4.629 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.008 9.536 5.704 1.00 0.00 H new ATOM 279 N LEU A 20 7.429 11.577 0.816 1.00 0.00 N ATOM 280 CA LEU A 20 7.708 11.377 -0.604 1.00 0.00 C ATOM 281 C LEU A 20 9.142 10.884 -0.837 1.00 0.00 C ATOM 282 O LEU A 20 9.427 10.255 -1.855 1.00 0.00 O ATOM 283 CB LEU A 20 7.473 12.694 -1.369 1.00 0.00 C ATOM 284 CG LEU A 20 5.989 12.825 -1.734 1.00 0.00 C ATOM 285 CD1 LEU A 20 5.138 12.767 -0.466 1.00 0.00 C ATOM 286 CD2 LEU A 20 5.748 14.156 -2.449 1.00 0.00 C ATOM 0 H LEU A 20 7.345 12.554 1.097 1.00 0.00 H new ATOM 0 HA LEU A 20 7.030 10.608 -0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.783 13.541 -0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.082 12.714 -2.273 1.00 0.00 H new ATOM 0 HG LEU A 20 5.711 12.004 -2.394 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.085 12.860 -0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.302 11.815 0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.419 13.584 0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.693 14.245 -2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.032 14.978 -1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.348 14.194 -3.358 1.00 0.00 H new ATOM 298 N GLN A 21 10.041 11.187 0.092 1.00 0.00 N ATOM 299 CA GLN A 21 11.438 10.778 -0.050 1.00 0.00 C ATOM 300 C GLN A 21 11.586 9.254 -0.059 1.00 0.00 C ATOM 301 O GLN A 21 12.485 8.717 -0.706 1.00 0.00 O ATOM 302 CB GLN A 21 12.272 11.364 1.095 1.00 0.00 C ATOM 303 CG GLN A 21 11.522 11.190 2.415 1.00 0.00 C ATOM 304 CD GLN A 21 12.461 11.463 3.587 1.00 0.00 C ATOM 305 OE1 GLN A 21 12.927 12.588 3.760 1.00 0.00 O ATOM 306 NE2 GLN A 21 12.766 10.493 4.405 1.00 0.00 N ATOM 0 H GLN A 21 9.834 11.709 0.944 1.00 0.00 H new ATOM 0 HA GLN A 21 11.797 11.158 -1.006 1.00 0.00 H new ATOM 0 HB2 GLN A 21 13.240 10.865 1.146 1.00 0.00 H new ATOM 0 HB3 GLN A 21 12.468 12.421 0.912 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.672 11.871 2.453 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.123 10.178 2.486 1.00 0.00 H new ATOM 0 HE21 GLN A 21 12.378 9.561 4.259 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.393 10.667 5.191 1.00 0.00 H new ATOM 315 N ARG A 22 10.719 8.564 0.677 1.00 0.00 N ATOM 316 CA ARG A 22 10.782 7.101 0.763 1.00 0.00 C ATOM 317 C ARG A 22 9.860 6.435 -0.258 1.00 0.00 C ATOM 318 O ARG A 22 10.260 5.498 -0.948 1.00 0.00 O ATOM 319 CB ARG A 22 10.391 6.668 2.182 1.00 0.00 C ATOM 320 CG ARG A 22 11.499 7.086 3.180 1.00 0.00 C ATOM 321 CD ARG A 22 10.879 7.497 4.520 1.00 0.00 C ATOM 322 NE ARG A 22 11.887 7.459 5.574 1.00 0.00 N ATOM 323 CZ ARG A 22 11.606 7.855 6.811 1.00 0.00 C ATOM 324 NH1 ARG A 22 10.408 8.283 7.101 1.00 0.00 N ATOM 325 NH2 ARG A 22 12.526 7.813 7.735 1.00 0.00 N ATOM 0 H ARG A 22 9.967 8.988 1.221 1.00 0.00 H new ATOM 0 HA ARG A 22 11.801 6.785 0.539 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.443 7.126 2.464 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.246 5.588 2.216 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.193 6.259 3.331 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.075 7.915 2.768 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.461 8.501 4.443 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.056 6.827 4.769 1.00 0.00 H new ATOM 0 HE ARG A 22 12.825 7.122 5.357 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.689 8.313 6.379 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.191 8.587 8.050 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.462 7.476 7.508 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.310 8.117 8.684 1.00 0.00 H new ATOM 339 N LEU A 23 8.627 6.919 -0.345 1.00 0.00 N ATOM 340 CA LEU A 23 7.649 6.359 -1.282 1.00 0.00 C ATOM 341 C LEU A 23 8.315 6.042 -2.628 1.00 0.00 C ATOM 342 O LEU A 23 9.192 6.776 -3.080 1.00 0.00 O ATOM 343 CB LEU A 23 6.487 7.375 -1.430 1.00 0.00 C ATOM 344 CG LEU A 23 5.742 7.285 -2.788 1.00 0.00 C ATOM 345 CD1 LEU A 23 6.613 7.829 -3.951 1.00 0.00 C ATOM 346 CD2 LEU A 23 5.261 5.837 -3.070 1.00 0.00 C ATOM 0 H LEU A 23 8.277 7.695 0.217 1.00 0.00 H new ATOM 0 HA LEU A 23 7.250 5.417 -0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.772 7.214 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.882 8.384 -1.310 1.00 0.00 H new ATOM 0 HG LEU A 23 4.858 7.919 -2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.060 7.751 -4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.861 8.874 -3.762 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.531 7.245 -4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.743 5.806 -4.028 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.121 5.168 -3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.581 5.519 -2.279 1.00 0.00 H new ATOM 358 N GLU A 24 7.896 4.938 -3.259 1.00 0.00 N ATOM 359 CA GLU A 24 8.461 4.522 -4.553 1.00 0.00 C ATOM 360 C GLU A 24 7.403 4.566 -5.656 1.00 0.00 C ATOM 361 O GLU A 24 7.530 5.321 -6.620 1.00 0.00 O ATOM 362 CB GLU A 24 9.016 3.101 -4.444 1.00 0.00 C ATOM 363 CG GLU A 24 9.538 2.650 -5.809 1.00 0.00 C ATOM 364 CD GLU A 24 10.381 1.388 -5.654 1.00 0.00 C ATOM 365 OE1 GLU A 24 9.933 0.481 -4.973 1.00 0.00 O ATOM 366 OE2 GLU A 24 11.461 1.348 -6.219 1.00 0.00 O ATOM 0 H GLU A 24 7.171 4.318 -2.898 1.00 0.00 H new ATOM 0 HA GLU A 24 9.262 5.216 -4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.819 3.068 -3.707 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.238 2.421 -4.098 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.702 2.459 -6.482 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.135 3.443 -6.259 1.00 0.00 H new ATOM 373 N SER A 25 6.357 3.750 -5.507 1.00 0.00 N ATOM 374 CA SER A 25 5.278 3.702 -6.495 1.00 0.00 C ATOM 375 C SER A 25 3.966 3.278 -5.834 1.00 0.00 C ATOM 376 O SER A 25 3.943 2.954 -4.646 1.00 0.00 O ATOM 377 CB SER A 25 5.632 2.714 -7.606 1.00 0.00 C ATOM 378 OG SER A 25 4.457 2.390 -8.338 1.00 0.00 O ATOM 0 H SER A 25 6.235 3.117 -4.716 1.00 0.00 H new ATOM 0 HA SER A 25 5.154 4.698 -6.920 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.380 3.148 -8.270 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.069 1.811 -7.180 1.00 0.00 H new ATOM 0 HG SER A 25 4.681 1.758 -9.052 1.00 0.00 H new ATOM 384 N TYR A 26 2.873 3.283 -6.608 1.00 0.00 N ATOM 385 CA TYR A 26 1.555 2.894 -6.085 1.00 0.00 C ATOM 386 C TYR A 26 1.009 1.675 -6.831 1.00 0.00 C ATOM 387 O TYR A 26 1.472 1.347 -7.924 1.00 0.00 O ATOM 388 CB TYR A 26 0.575 4.068 -6.201 1.00 0.00 C ATOM 389 CG TYR A 26 0.217 4.305 -7.647 1.00 0.00 C ATOM 390 CD1 TYR A 26 1.051 5.088 -8.454 1.00 0.00 C ATOM 391 CD2 TYR A 26 -0.949 3.742 -8.180 1.00 0.00 C ATOM 392 CE1 TYR A 26 0.720 5.308 -9.795 1.00 0.00 C ATOM 393 CE2 TYR A 26 -1.280 3.961 -9.522 1.00 0.00 C ATOM 394 CZ TYR A 26 -0.447 4.745 -10.330 1.00 0.00 C ATOM 395 OH TYR A 26 -0.774 4.961 -11.653 1.00 0.00 O ATOM 0 H TYR A 26 2.874 3.550 -7.592 1.00 0.00 H new ATOM 0 HA TYR A 26 1.669 2.627 -5.034 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.326 3.857 -5.625 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.021 4.967 -5.777 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.950 5.522 -8.041 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.592 3.139 -7.556 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.363 5.911 -10.418 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.178 3.525 -9.935 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.613 4.499 -11.862 1.00 0.00 H new ATOM 405 N ARG A 27 0.028 1.002 -6.224 1.00 0.00 N ATOM 406 CA ARG A 27 -0.569 -0.191 -6.831 1.00 0.00 C ATOM 407 C ARG A 27 -1.997 -0.380 -6.303 1.00 0.00 C ATOM 408 O ARG A 27 -2.246 -0.256 -5.106 1.00 0.00 O ATOM 409 CB ARG A 27 0.345 -1.412 -6.516 1.00 0.00 C ATOM 410 CG ARG A 27 -0.420 -2.754 -6.383 1.00 0.00 C ATOM 411 CD ARG A 27 -0.819 -3.295 -7.763 1.00 0.00 C ATOM 412 NE ARG A 27 -1.252 -2.216 -8.646 1.00 0.00 N ATOM 413 CZ ARG A 27 -1.155 -2.320 -9.969 1.00 0.00 C ATOM 414 NH1 ARG A 27 -0.663 -3.403 -10.506 1.00 0.00 N ATOM 415 NH2 ARG A 27 -1.554 -1.338 -10.731 1.00 0.00 N ATOM 0 H ARG A 27 -0.367 1.260 -5.320 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.640 -0.086 -7.914 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.091 -1.507 -7.305 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.884 -1.219 -5.589 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.205 -3.484 -5.868 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.311 -2.610 -5.772 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.026 -3.818 -8.210 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.622 -4.023 -7.653 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.637 -1.363 -8.240 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.352 -4.171 -9.911 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.589 -3.481 -11.520 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.940 -0.492 -10.312 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.480 -1.417 -11.745 1.00 0.00 H new ATOM 429 N ARG A 28 -2.932 -0.677 -7.207 1.00 0.00 N ATOM 430 CA ARG A 28 -4.332 -0.873 -6.826 1.00 0.00 C ATOM 431 C ARG A 28 -4.598 -2.322 -6.405 1.00 0.00 C ATOM 432 O ARG A 28 -3.989 -3.255 -6.930 1.00 0.00 O ATOM 433 CB ARG A 28 -5.243 -0.489 -8.012 1.00 0.00 C ATOM 434 CG ARG A 28 -6.516 0.206 -7.508 1.00 0.00 C ATOM 435 CD ARG A 28 -7.570 0.221 -8.618 1.00 0.00 C ATOM 436 NE ARG A 28 -6.998 0.754 -9.850 1.00 0.00 N ATOM 437 CZ ARG A 28 -6.700 2.043 -9.968 1.00 0.00 C ATOM 438 NH1 ARG A 28 -6.919 2.857 -8.972 1.00 0.00 N ATOM 439 NH2 ARG A 28 -6.190 2.496 -11.081 1.00 0.00 N ATOM 0 H ARG A 28 -2.747 -0.787 -8.204 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.551 -0.234 -5.971 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.706 0.172 -8.692 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.509 -1.382 -8.578 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.904 -0.315 -6.632 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.287 1.225 -7.197 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.943 -0.789 -8.789 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.422 0.828 -8.312 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.824 0.126 -10.634 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.319 2.503 -8.103 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.690 3.847 -9.063 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.020 1.860 -11.860 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.961 3.486 -11.171 1.00 0.00 H new ATOM 453 N ILE A 29 -5.526 -2.494 -5.460 1.00 0.00 N ATOM 454 CA ILE A 29 -5.899 -3.828 -4.968 1.00 0.00 C ATOM 455 C ILE A 29 -7.251 -4.224 -5.564 1.00 0.00 C ATOM 456 O ILE A 29 -8.275 -3.608 -5.266 1.00 0.00 O ATOM 457 CB ILE A 29 -5.969 -3.843 -3.406 1.00 0.00 C ATOM 458 CG1 ILE A 29 -5.746 -2.420 -2.873 1.00 0.00 C ATOM 459 CG2 ILE A 29 -4.893 -4.784 -2.837 1.00 0.00 C ATOM 460 CD1 ILE A 29 -5.932 -2.367 -1.350 1.00 0.00 C ATOM 0 H ILE A 29 -6.034 -1.728 -5.019 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.140 -4.547 -5.277 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.950 -4.201 -3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.742 -2.084 -3.132 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.445 -1.735 -3.352 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.951 -4.787 -1.749 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.058 -5.794 -3.212 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.907 -4.439 -3.147 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.768 -1.348 -0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.945 -2.680 -1.096 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.215 -3.035 -0.872 1.00 0.00 H new ATOM 472 N THR A 30 -7.244 -5.252 -6.410 1.00 0.00 N ATOM 473 CA THR A 30 -8.472 -5.725 -7.052 1.00 0.00 C ATOM 474 C THR A 30 -8.536 -7.249 -7.022 1.00 0.00 C ATOM 475 O THR A 30 -8.087 -7.917 -7.952 1.00 0.00 O ATOM 476 CB THR A 30 -8.513 -5.239 -8.505 1.00 0.00 C ATOM 477 OG1 THR A 30 -7.254 -5.480 -9.117 1.00 0.00 O ATOM 478 CG2 THR A 30 -8.822 -3.739 -8.542 1.00 0.00 C ATOM 0 H THR A 30 -6.406 -5.773 -6.667 1.00 0.00 H new ATOM 0 HA THR A 30 -9.328 -5.326 -6.507 1.00 0.00 H new ATOM 0 HB THR A 30 -9.292 -5.778 -9.045 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.027 -6.430 -9.036 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.850 -3.399 -9.577 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.789 -3.555 -8.073 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.047 -3.195 -8.002 1.00 0.00 H new ATOM 486 N SER A 31 -9.096 -7.792 -5.945 1.00 0.00 N ATOM 487 CA SER A 31 -9.212 -9.238 -5.802 1.00 0.00 C ATOM 488 C SER A 31 -10.283 -9.591 -4.773 1.00 0.00 C ATOM 489 O SER A 31 -11.446 -9.795 -5.120 1.00 0.00 O ATOM 490 CB SER A 31 -7.872 -9.830 -5.369 1.00 0.00 C ATOM 491 OG SER A 31 -8.030 -11.220 -5.119 1.00 0.00 O ATOM 0 H SER A 31 -9.474 -7.256 -5.164 1.00 0.00 H new ATOM 0 HA SER A 31 -9.498 -9.657 -6.767 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.124 -9.671 -6.146 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.512 -9.326 -4.472 1.00 0.00 H new ATOM 0 HG SER A 31 -7.171 -11.602 -4.843 1.00 0.00 H new ATOM 497 N GLY A 32 -9.881 -9.660 -3.509 1.00 0.00 N ATOM 498 CA GLY A 32 -10.816 -9.989 -2.438 1.00 0.00 C ATOM 499 C GLY A 32 -10.239 -9.621 -1.076 1.00 0.00 C ATOM 500 O GLY A 32 -9.121 -9.114 -0.985 1.00 0.00 O ATOM 0 H GLY A 32 -8.923 -9.494 -3.202 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.755 -9.458 -2.594 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.044 -11.055 -2.464 1.00 0.00 H new ATOM 504 N LYS A 33 -11.012 -9.881 -0.024 1.00 0.00 N ATOM 505 CA LYS A 33 -10.587 -9.581 1.344 1.00 0.00 C ATOM 506 C LYS A 33 -10.494 -8.072 1.572 1.00 0.00 C ATOM 507 O LYS A 33 -10.825 -7.580 2.651 1.00 0.00 O ATOM 508 CB LYS A 33 -9.233 -10.233 1.646 1.00 0.00 C ATOM 509 CG LYS A 33 -9.226 -11.674 1.124 1.00 0.00 C ATOM 510 CD LYS A 33 -8.067 -12.444 1.762 1.00 0.00 C ATOM 511 CE LYS A 33 -8.098 -13.899 1.288 1.00 0.00 C ATOM 512 NZ LYS A 33 -6.849 -14.589 1.717 1.00 0.00 N ATOM 0 H LYS A 33 -11.939 -10.300 -0.092 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.338 -9.991 2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -8.431 -9.662 1.178 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.045 -10.224 2.720 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.173 -12.161 1.358 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.125 -11.678 0.039 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.117 -11.983 1.491 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.143 -12.403 2.849 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.968 -14.409 1.702 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.193 -13.937 0.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.648 -15.378 1.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.056 -13.916 1.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.969 -14.955 2.683 1.00 0.00 H new ATOM 526 N CYS A 34 -10.049 -7.341 0.556 1.00 0.00 N ATOM 527 CA CYS A 34 -9.924 -5.892 0.667 1.00 0.00 C ATOM 528 C CYS A 34 -11.313 -5.249 0.748 1.00 0.00 C ATOM 529 O CYS A 34 -12.280 -5.794 0.216 1.00 0.00 O ATOM 530 CB CYS A 34 -9.165 -5.350 -0.549 1.00 0.00 C ATOM 531 SG CYS A 34 -7.392 -5.646 -0.333 1.00 0.00 S ATOM 0 H CYS A 34 -9.771 -7.724 -0.347 1.00 0.00 H new ATOM 0 HA CYS A 34 -9.372 -5.647 1.575 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -9.518 -5.837 -1.458 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -9.355 -4.283 -0.664 1.00 0.00 H new ATOM 536 N PRO A 35 -11.438 -4.113 1.397 1.00 0.00 N ATOM 537 CA PRO A 35 -12.753 -3.413 1.531 1.00 0.00 C ATOM 538 C PRO A 35 -13.231 -2.836 0.199 1.00 0.00 C ATOM 539 O PRO A 35 -14.416 -2.909 -0.131 1.00 0.00 O ATOM 540 CB PRO A 35 -12.467 -2.304 2.555 1.00 0.00 C ATOM 541 CG PRO A 35 -11.005 -2.027 2.418 1.00 0.00 C ATOM 542 CD PRO A 35 -10.355 -3.368 2.071 1.00 0.00 C ATOM 0 HA PRO A 35 -13.553 -4.084 1.844 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.060 -1.413 2.349 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -12.716 -2.625 3.566 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -10.819 -1.289 1.638 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.596 -1.622 3.344 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -9.491 -3.238 1.419 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -10.006 -3.887 2.963 1.00 0.00 H new ATOM 550 N GLN A 36 -12.304 -2.262 -0.560 1.00 0.00 N ATOM 551 CA GLN A 36 -12.644 -1.675 -1.851 1.00 0.00 C ATOM 552 C GLN A 36 -11.382 -1.239 -2.587 1.00 0.00 C ATOM 553 O GLN A 36 -10.307 -1.150 -1.994 1.00 0.00 O ATOM 554 CB GLN A 36 -13.562 -0.467 -1.650 1.00 0.00 C ATOM 555 CG GLN A 36 -12.927 0.499 -0.646 1.00 0.00 C ATOM 556 CD GLN A 36 -13.835 1.707 -0.440 1.00 0.00 C ATOM 557 OE1 GLN A 36 -14.447 2.233 -1.465 1.00 0.00 O flip ATOM 558 NE2 GLN A 36 -13.991 2.182 0.684 1.00 0.00 N flip ATOM 0 H GLN A 36 -11.319 -2.191 -0.306 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.160 -2.427 -2.448 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -13.728 0.039 -2.601 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.537 -0.794 -1.288 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.761 -0.008 0.304 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.952 0.824 -1.008 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.511 1.769 1.483 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.600 2.989 0.816 1.00 0.00 H new ATOM 567 N LYS A 37 -11.519 -0.963 -3.881 1.00 0.00 N ATOM 568 CA LYS A 37 -10.377 -0.532 -4.682 1.00 0.00 C ATOM 569 C LYS A 37 -9.622 0.572 -3.942 1.00 0.00 C ATOM 570 O LYS A 37 -10.227 1.507 -3.417 1.00 0.00 O ATOM 571 CB LYS A 37 -10.857 -0.022 -6.059 1.00 0.00 C ATOM 572 CG LYS A 37 -10.892 -1.168 -7.081 1.00 0.00 C ATOM 573 CD LYS A 37 -11.981 -2.186 -6.703 1.00 0.00 C ATOM 574 CE LYS A 37 -13.385 -1.559 -6.836 1.00 0.00 C ATOM 575 NZ LYS A 37 -13.823 -1.035 -5.512 1.00 0.00 N ATOM 0 H LYS A 37 -12.399 -1.029 -4.393 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.708 -1.378 -4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.850 0.417 -5.964 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.192 0.766 -6.412 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.086 -0.770 -8.077 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.921 -1.661 -7.118 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.906 -3.062 -7.347 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.826 -2.529 -5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.367 -0.753 -7.570 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.095 -2.303 -7.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.856 -1.118 -5.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.371 -1.585 -4.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.548 -0.036 -5.426 1.00 0.00 H new ATOM 589 N ALA A 38 -8.300 0.450 -3.893 1.00 0.00 N ATOM 590 CA ALA A 38 -7.479 1.436 -3.203 1.00 0.00 C ATOM 591 C ALA A 38 -6.027 1.346 -3.677 1.00 0.00 C ATOM 592 O ALA A 38 -5.511 0.256 -3.907 1.00 0.00 O ATOM 593 CB ALA A 38 -7.563 1.190 -1.684 1.00 0.00 C ATOM 0 H ALA A 38 -7.778 -0.316 -4.319 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.849 2.436 -3.429 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.950 1.925 -1.162 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.599 1.283 -1.357 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.199 0.188 -1.457 1.00 0.00 H new ATOM 599 N VAL A 39 -5.366 2.489 -3.817 1.00 0.00 N ATOM 600 CA VAL A 39 -3.974 2.494 -4.258 1.00 0.00 C ATOM 601 C VAL A 39 -3.059 2.167 -3.083 1.00 0.00 C ATOM 602 O VAL A 39 -3.322 2.570 -1.950 1.00 0.00 O ATOM 603 CB VAL A 39 -3.613 3.851 -4.859 1.00 0.00 C ATOM 604 CG1 VAL A 39 -4.658 4.236 -5.910 1.00 0.00 C ATOM 605 CG2 VAL A 39 -3.581 4.909 -3.756 1.00 0.00 C ATOM 0 H VAL A 39 -5.762 3.411 -3.635 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.842 1.734 -5.028 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.631 3.791 -5.328 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.402 5.204 -6.340 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.677 3.483 -6.698 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.640 4.295 -5.442 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.323 5.876 -4.187 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.561 4.972 -3.284 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.836 4.634 -3.010 1.00 0.00 H new ATOM 615 N ILE A 40 -2.000 1.404 -3.355 1.00 0.00 N ATOM 616 CA ILE A 40 -1.059 0.986 -2.310 1.00 0.00 C ATOM 617 C ILE A 40 0.326 1.584 -2.534 1.00 0.00 C ATOM 618 O ILE A 40 1.076 1.118 -3.390 1.00 0.00 O ATOM 619 CB ILE A 40 -0.961 -0.547 -2.312 1.00 0.00 C ATOM 620 CG1 ILE A 40 -2.274 -1.136 -1.796 1.00 0.00 C ATOM 621 CG2 ILE A 40 0.192 -1.017 -1.415 1.00 0.00 C ATOM 622 CD1 ILE A 40 -2.299 -2.640 -2.063 1.00 0.00 C ATOM 0 H ILE A 40 -1.771 1.062 -4.288 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.428 1.344 -1.349 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.772 -0.885 -3.331 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.376 -0.944 -0.728 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.119 -0.655 -2.288 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.244 -2.106 -1.430 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.131 -0.603 -1.783 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.021 -0.676 -0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.235 -3.059 -1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.217 -2.821 -3.135 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.462 -3.115 -1.550 1.00 0.00 H new ATOM 634 N PHE A 41 0.672 2.596 -1.741 1.00 0.00 N ATOM 635 CA PHE A 41 1.985 3.218 -1.856 1.00 0.00 C ATOM 636 C PHE A 41 3.028 2.349 -1.165 1.00 0.00 C ATOM 637 O PHE A 41 2.944 2.101 0.038 1.00 0.00 O ATOM 638 CB PHE A 41 1.972 4.607 -1.221 1.00 0.00 C ATOM 639 CG PHE A 41 0.933 5.461 -1.908 1.00 0.00 C ATOM 640 CD1 PHE A 41 1.123 5.875 -3.233 1.00 0.00 C ATOM 641 CD2 PHE A 41 -0.217 5.845 -1.216 1.00 0.00 C ATOM 642 CE1 PHE A 41 0.160 6.673 -3.862 1.00 0.00 C ATOM 643 CE2 PHE A 41 -1.172 6.642 -1.843 1.00 0.00 C ATOM 644 CZ PHE A 41 -0.987 7.058 -3.166 1.00 0.00 C ATOM 0 H PHE A 41 0.070 2.997 -1.022 1.00 0.00 H new ATOM 0 HA PHE A 41 2.235 3.316 -2.912 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.750 4.531 -0.157 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.955 5.069 -1.309 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.012 5.578 -3.769 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.366 5.524 -0.196 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.304 6.990 -4.884 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.060 6.940 -1.305 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.730 7.676 -3.648 1.00 0.00 H new ATOM 654 N LYS A 42 4.010 1.884 -1.935 1.00 0.00 N ATOM 655 CA LYS A 42 5.071 1.033 -1.396 1.00 0.00 C ATOM 656 C LYS A 42 6.368 1.822 -1.272 1.00 0.00 C ATOM 657 O LYS A 42 6.832 2.428 -2.237 1.00 0.00 O ATOM 658 CB LYS A 42 5.286 -0.170 -2.319 1.00 0.00 C ATOM 659 CG LYS A 42 5.869 0.299 -3.660 1.00 0.00 C ATOM 660 CD LYS A 42 5.640 -0.774 -4.732 1.00 0.00 C ATOM 661 CE LYS A 42 6.138 -2.129 -4.222 1.00 0.00 C ATOM 662 NZ LYS A 42 6.269 -3.073 -5.367 1.00 0.00 N ATOM 0 H LYS A 42 4.094 2.081 -2.932 1.00 0.00 H new ATOM 0 HA LYS A 42 4.775 0.684 -0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.962 -0.884 -1.849 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.340 -0.687 -2.484 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.399 1.235 -3.963 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.935 0.497 -3.553 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.580 -0.835 -4.978 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.165 -0.504 -5.648 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.100 -2.011 -3.723 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.443 -2.530 -3.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.607 -3.994 -5.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.343 -3.194 -5.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.948 -2.691 -6.056 1.00 0.00 H new ATOM 676 N THR A 43 6.946 1.816 -0.073 1.00 0.00 N ATOM 677 CA THR A 43 8.197 2.538 0.185 1.00 0.00 C ATOM 678 C THR A 43 9.333 1.543 0.425 1.00 0.00 C ATOM 679 O THR A 43 9.127 0.330 0.367 1.00 0.00 O ATOM 680 CB THR A 43 8.035 3.460 1.415 1.00 0.00 C ATOM 681 OG1 THR A 43 8.661 2.862 2.536 1.00 0.00 O ATOM 682 CG2 THR A 43 6.552 3.678 1.730 1.00 0.00 C ATOM 0 H THR A 43 6.571 1.321 0.736 1.00 0.00 H new ATOM 0 HA THR A 43 8.437 3.150 -0.685 1.00 0.00 H new ATOM 0 HB THR A 43 8.498 4.422 1.194 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.264 3.215 3.359 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.456 4.329 2.599 1.00 0.00 H new ATOM 0 HG22 THR A 43 6.062 4.141 0.873 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.080 2.719 1.942 1.00 0.00 H new ATOM 690 N LYS A 44 10.528 2.059 0.696 1.00 0.00 N ATOM 691 CA LYS A 44 11.684 1.200 0.942 1.00 0.00 C ATOM 692 C LYS A 44 11.618 0.604 2.348 1.00 0.00 C ATOM 693 O LYS A 44 12.295 -0.378 2.648 1.00 0.00 O ATOM 694 CB LYS A 44 12.982 2.003 0.784 1.00 0.00 C ATOM 695 CG LYS A 44 13.294 2.211 -0.702 1.00 0.00 C ATOM 696 CD LYS A 44 12.214 3.092 -1.342 1.00 0.00 C ATOM 697 CE LYS A 44 12.732 3.658 -2.666 1.00 0.00 C ATOM 698 NZ LYS A 44 13.707 4.750 -2.391 1.00 0.00 N ATOM 0 H LYS A 44 10.722 3.059 0.751 1.00 0.00 H new ATOM 0 HA LYS A 44 11.671 0.389 0.213 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.885 2.968 1.282 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.806 1.477 1.266 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.272 2.679 -0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.340 1.248 -1.211 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.309 2.509 -1.513 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.946 3.905 -0.667 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.208 2.870 -3.250 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.902 4.038 -3.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.789 5.361 -3.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.377 5.314 -1.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.636 4.338 -2.170 1.00 0.00 H new ATOM 712 N LEU A 45 10.797 1.205 3.203 1.00 0.00 N ATOM 713 CA LEU A 45 10.647 0.728 4.573 1.00 0.00 C ATOM 714 C LEU A 45 10.410 -0.783 4.580 1.00 0.00 C ATOM 715 O LEU A 45 11.347 -1.564 4.743 1.00 0.00 O ATOM 716 CB LEU A 45 9.465 1.449 5.252 1.00 0.00 C ATOM 717 CG LEU A 45 9.897 2.806 5.859 1.00 0.00 C ATOM 718 CD1 LEU A 45 10.634 2.597 7.187 1.00 0.00 C ATOM 719 CD2 LEU A 45 10.810 3.578 4.892 1.00 0.00 C ATOM 0 H LEU A 45 10.228 2.020 2.973 1.00 0.00 H new ATOM 0 HA LEU A 45 11.561 0.944 5.125 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.671 1.612 4.523 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.053 0.814 6.036 1.00 0.00 H new ATOM 0 HG LEU A 45 8.992 3.387 6.035 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.928 3.564 7.596 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.976 2.090 7.893 1.00 0.00 H new ATOM 0 HD13 LEU A 45 11.523 1.989 7.018 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.098 4.527 5.344 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.703 2.988 4.686 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.277 3.767 3.960 1.00 0.00 H new ATOM 731 N ALA A 46 9.155 -1.188 4.405 1.00 0.00 N ATOM 732 CA ALA A 46 8.821 -2.607 4.399 1.00 0.00 C ATOM 733 C ALA A 46 7.349 -2.824 4.062 1.00 0.00 C ATOM 734 O ALA A 46 6.950 -2.760 2.899 1.00 0.00 O ATOM 735 CB ALA A 46 9.129 -3.218 5.768 1.00 0.00 C ATOM 0 H ALA A 46 8.362 -0.562 4.267 1.00 0.00 H new ATOM 0 HA ALA A 46 9.425 -3.095 3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.878 -4.279 5.758 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.190 -3.099 5.989 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.540 -2.713 6.533 1.00 0.00 H new ATOM 741 N LYS A 47 6.550 -3.093 5.088 1.00 0.00 N ATOM 742 CA LYS A 47 5.123 -3.334 4.907 1.00 0.00 C ATOM 743 C LYS A 47 4.521 -2.400 3.858 1.00 0.00 C ATOM 744 O LYS A 47 5.116 -1.385 3.496 1.00 0.00 O ATOM 745 CB LYS A 47 4.399 -3.167 6.248 1.00 0.00 C ATOM 746 CG LYS A 47 4.304 -1.684 6.639 1.00 0.00 C ATOM 747 CD LYS A 47 5.698 -1.043 6.620 1.00 0.00 C ATOM 748 CE LYS A 47 5.677 0.260 7.424 1.00 0.00 C ATOM 749 NZ LYS A 47 5.436 -0.047 8.862 1.00 0.00 N ATOM 0 H LYS A 47 6.867 -3.150 6.056 1.00 0.00 H new ATOM 0 HA LYS A 47 4.994 -4.355 4.547 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.399 -3.594 6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.930 -3.718 7.024 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.645 -1.159 5.948 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.865 -1.589 7.632 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.431 -1.731 7.042 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.003 -0.843 5.593 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.624 0.787 7.307 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.896 0.920 7.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.177 0.398 9.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.506 0.324 9.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.456 -1.077 9.005 1.00 0.00 H new ATOM 763 N ASP A 48 3.331 -2.758 3.376 1.00 0.00 N ATOM 764 CA ASP A 48 2.635 -1.959 2.366 1.00 0.00 C ATOM 765 C ASP A 48 1.619 -1.031 3.025 1.00 0.00 C ATOM 766 O ASP A 48 1.074 -1.341 4.084 1.00 0.00 O ATOM 767 CB ASP A 48 1.915 -2.882 1.382 1.00 0.00 C ATOM 768 CG ASP A 48 2.932 -3.577 0.482 1.00 0.00 C ATOM 769 OD1 ASP A 48 3.748 -2.885 -0.102 1.00 0.00 O ATOM 770 OD2 ASP A 48 2.878 -4.793 0.391 1.00 0.00 O ATOM 0 H ASP A 48 2.828 -3.596 3.668 1.00 0.00 H new ATOM 0 HA ASP A 48 3.371 -1.357 1.833 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.331 -3.624 1.927 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.214 -2.307 0.777 1.00 0.00 H new ATOM 775 N ILE A 49 1.375 0.115 2.391 1.00 0.00 N ATOM 776 CA ILE A 49 0.425 1.103 2.911 1.00 0.00 C ATOM 777 C ILE A 49 -0.864 1.085 2.094 1.00 0.00 C ATOM 778 O ILE A 49 -0.826 1.153 0.871 1.00 0.00 O ATOM 779 CB ILE A 49 1.054 2.499 2.835 1.00 0.00 C ATOM 780 CG1 ILE A 49 2.521 2.431 3.288 1.00 0.00 C ATOM 781 CG2 ILE A 49 0.276 3.471 3.727 1.00 0.00 C ATOM 782 CD1 ILE A 49 2.623 1.861 4.710 1.00 0.00 C ATOM 0 H ILE A 49 1.822 0.384 1.515 1.00 0.00 H new ATOM 0 HA ILE A 49 0.190 0.855 3.946 1.00 0.00 H new ATOM 0 HB ILE A 49 1.014 2.855 1.805 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.091 1.808 2.599 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.963 3.427 3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.729 4.461 3.668 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.759 3.525 3.390 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.304 3.120 4.759 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.670 1.821 5.012 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.071 2.500 5.399 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.201 0.856 4.730 1.00 0.00 H new ATOM 794 N CYS A 50 -2.005 0.996 2.777 1.00 0.00 N ATOM 795 CA CYS A 50 -3.307 0.972 2.100 1.00 0.00 C ATOM 796 C CYS A 50 -3.968 2.346 2.168 1.00 0.00 C ATOM 797 O CYS A 50 -3.878 3.036 3.183 1.00 0.00 O ATOM 798 CB CYS A 50 -4.211 -0.065 2.766 1.00 0.00 C ATOM 799 SG CYS A 50 -3.355 -1.660 2.804 1.00 0.00 S ATOM 0 H CYS A 50 -2.057 0.939 3.794 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.154 0.707 1.054 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -4.463 0.251 3.778 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.149 -0.154 2.217 1.00 0.00 H new ATOM 804 N ALA A 51 -4.625 2.745 1.080 1.00 0.00 N ATOM 805 CA ALA A 51 -5.284 4.046 1.037 1.00 0.00 C ATOM 806 C ALA A 51 -6.145 4.183 -0.222 1.00 0.00 C ATOM 807 O ALA A 51 -5.774 3.701 -1.291 1.00 0.00 O ATOM 808 CB ALA A 51 -4.227 5.150 1.074 1.00 0.00 C ATOM 0 H ALA A 51 -4.714 2.193 0.227 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.939 4.136 1.904 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.716 6.123 1.042 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.645 5.066 1.992 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.565 5.048 0.214 1.00 0.00 H new ATOM 814 N ASP A 52 -7.305 4.835 -0.082 1.00 0.00 N ATOM 815 CA ASP A 52 -8.231 5.017 -1.208 1.00 0.00 C ATOM 816 C ASP A 52 -8.014 6.369 -1.910 1.00 0.00 C ATOM 817 O ASP A 52 -7.628 7.348 -1.271 1.00 0.00 O ATOM 818 CB ASP A 52 -9.675 4.946 -0.693 1.00 0.00 C ATOM 819 CG ASP A 52 -10.086 3.496 -0.459 1.00 0.00 C ATOM 820 OD1 ASP A 52 -9.786 2.673 -1.307 1.00 0.00 O ATOM 821 OD2 ASP A 52 -10.702 3.232 0.560 1.00 0.00 O ATOM 0 H ASP A 52 -7.625 5.244 0.796 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.041 4.224 -1.931 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.765 5.510 0.235 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.348 5.409 -1.414 1.00 0.00 H new ATOM 826 N PRO A 53 -8.278 6.441 -3.203 1.00 0.00 N ATOM 827 CA PRO A 53 -8.125 7.703 -3.996 1.00 0.00 C ATOM 828 C PRO A 53 -9.199 8.734 -3.651 1.00 0.00 C ATOM 829 O PRO A 53 -10.084 9.019 -4.457 1.00 0.00 O ATOM 830 CB PRO A 53 -8.254 7.227 -5.452 1.00 0.00 C ATOM 831 CG PRO A 53 -9.114 6.010 -5.373 1.00 0.00 C ATOM 832 CD PRO A 53 -8.751 5.331 -4.053 1.00 0.00 C ATOM 0 HA PRO A 53 -7.182 8.210 -3.792 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.707 7.993 -6.081 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.279 6.997 -5.882 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.171 6.275 -5.399 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -8.931 5.346 -6.218 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.612 4.828 -3.612 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -7.977 4.576 -4.191 1.00 0.00 H new ATOM 840 N LYS A 54 -9.104 9.290 -2.451 1.00 0.00 N ATOM 841 CA LYS A 54 -10.060 10.296 -1.998 1.00 0.00 C ATOM 842 C LYS A 54 -9.404 11.199 -0.965 1.00 0.00 C ATOM 843 O LYS A 54 -9.683 12.397 -0.901 1.00 0.00 O ATOM 844 CB LYS A 54 -11.288 9.619 -1.385 1.00 0.00 C ATOM 845 CG LYS A 54 -12.030 8.826 -2.462 1.00 0.00 C ATOM 846 CD LYS A 54 -13.422 8.446 -1.952 1.00 0.00 C ATOM 847 CE LYS A 54 -14.125 7.564 -2.988 1.00 0.00 C ATOM 848 NZ LYS A 54 -14.591 8.408 -4.124 1.00 0.00 N ATOM 0 H LYS A 54 -8.376 9.063 -1.773 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.375 10.894 -2.853 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.983 8.955 -0.576 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.950 10.368 -0.951 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.115 9.420 -3.372 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.468 7.928 -2.719 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.341 7.916 -1.003 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.010 9.345 -1.765 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.443 6.794 -3.349 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.971 7.051 -2.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.156 7.829 -4.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.174 9.188 -3.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.768 8.796 -4.628 1.00 0.00 H new ATOM 862 N LYS A 55 -8.518 10.616 -0.167 1.00 0.00 N ATOM 863 CA LYS A 55 -7.808 11.372 0.854 1.00 0.00 C ATOM 864 C LYS A 55 -6.756 12.255 0.172 1.00 0.00 C ATOM 865 O LYS A 55 -6.265 11.921 -0.900 1.00 0.00 O ATOM 866 CB LYS A 55 -7.174 10.405 1.877 1.00 0.00 C ATOM 867 CG LYS A 55 -7.947 9.067 1.881 1.00 0.00 C ATOM 868 CD LYS A 55 -7.728 8.323 3.204 1.00 0.00 C ATOM 869 CE LYS A 55 -6.236 8.290 3.551 1.00 0.00 C ATOM 870 NZ LYS A 55 -5.966 7.154 4.474 1.00 0.00 N ATOM 0 H LYS A 55 -8.275 9.626 -0.208 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.496 12.016 1.401 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.128 10.230 1.626 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.193 10.850 2.872 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.011 9.255 1.734 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.615 8.446 1.049 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.284 8.814 4.002 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.113 7.306 3.126 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.643 8.183 2.643 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.939 9.230 4.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.939 7.015 4.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.369 7.363 5.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.401 6.288 4.096 1.00 0.00 H new ATOM 884 N LYS A 56 -6.458 13.405 0.767 1.00 0.00 N ATOM 885 CA LYS A 56 -5.515 14.350 0.161 1.00 0.00 C ATOM 886 C LYS A 56 -4.123 13.762 -0.104 1.00 0.00 C ATOM 887 O LYS A 56 -3.647 13.798 -1.238 1.00 0.00 O ATOM 888 CB LYS A 56 -5.373 15.581 1.060 1.00 0.00 C ATOM 889 CG LYS A 56 -4.739 16.733 0.268 1.00 0.00 C ATOM 890 CD LYS A 56 -4.175 17.779 1.233 1.00 0.00 C ATOM 891 CE LYS A 56 -5.280 18.261 2.178 1.00 0.00 C ATOM 892 NZ LYS A 56 -5.519 17.232 3.229 1.00 0.00 N ATOM 0 H LYS A 56 -6.849 13.707 1.659 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.934 14.613 -0.810 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.350 15.882 1.437 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.757 15.341 1.926 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.945 16.351 -0.373 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.483 17.191 -0.384 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.353 17.352 1.807 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.769 18.622 0.674 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.993 19.206 2.638 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.197 18.445 1.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.556 17.690 4.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.422 16.750 3.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.746 16.536 3.215 1.00 0.00 H new ATOM 906 N TRP A 57 -3.453 13.263 0.931 1.00 0.00 N ATOM 907 CA TRP A 57 -2.102 12.731 0.743 1.00 0.00 C ATOM 908 C TRP A 57 -2.072 11.610 -0.288 1.00 0.00 C ATOM 909 O TRP A 57 -1.019 11.308 -0.851 1.00 0.00 O ATOM 910 CB TRP A 57 -1.503 12.247 2.071 1.00 0.00 C ATOM 911 CG TRP A 57 -2.095 10.936 2.484 1.00 0.00 C ATOM 912 CD1 TRP A 57 -3.229 10.796 3.204 1.00 0.00 C ATOM 913 CD2 TRP A 57 -1.597 9.585 2.238 1.00 0.00 C ATOM 914 NE1 TRP A 57 -3.461 9.449 3.416 1.00 0.00 N ATOM 915 CE2 TRP A 57 -2.486 8.663 2.839 1.00 0.00 C ATOM 916 CE3 TRP A 57 -0.474 9.070 1.557 1.00 0.00 C ATOM 917 CZ2 TRP A 57 -2.273 7.287 2.772 1.00 0.00 C ATOM 918 CZ3 TRP A 57 -0.256 7.683 1.488 1.00 0.00 C ATOM 919 CH2 TRP A 57 -1.155 6.794 2.096 1.00 0.00 C ATOM 0 H TRP A 57 -3.809 13.215 1.886 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.491 13.551 0.366 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.422 12.146 1.970 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -1.683 12.991 2.847 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.853 11.604 3.557 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -4.257 9.081 3.936 1.00 0.00 H new ATOM 0 HE3 TRP A 57 0.223 9.746 1.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -2.969 6.606 3.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 0.608 7.300 0.965 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -0.983 5.729 2.041 1.00 0.00 H new ATOM 930 N VAL A 58 -3.216 10.989 -0.532 1.00 0.00 N ATOM 931 CA VAL A 58 -3.268 9.901 -1.497 1.00 0.00 C ATOM 932 C VAL A 58 -3.162 10.426 -2.924 1.00 0.00 C ATOM 933 O VAL A 58 -2.305 9.984 -3.683 1.00 0.00 O ATOM 934 CB VAL A 58 -4.574 9.119 -1.329 1.00 0.00 C ATOM 935 CG1 VAL A 58 -4.727 8.106 -2.469 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.544 8.387 0.010 1.00 0.00 C ATOM 0 H VAL A 58 -4.105 11.214 -0.085 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.420 9.241 -1.312 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.419 9.808 -1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.658 7.554 -2.342 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.744 8.632 -3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.888 7.411 -2.453 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.470 7.827 0.139 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.698 7.700 0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.442 9.111 0.818 1.00 0.00 H new ATOM 946 N GLN A 59 -4.040 11.355 -3.288 1.00 0.00 N ATOM 947 CA GLN A 59 -4.031 11.902 -4.641 1.00 0.00 C ATOM 948 C GLN A 59 -2.757 12.707 -4.901 1.00 0.00 C ATOM 949 O GLN A 59 -2.253 12.741 -6.024 1.00 0.00 O ATOM 950 CB GLN A 59 -5.276 12.783 -4.873 1.00 0.00 C ATOM 951 CG GLN A 59 -6.449 12.295 -3.999 1.00 0.00 C ATOM 952 CD GLN A 59 -7.785 12.628 -4.662 1.00 0.00 C ATOM 953 OE1 GLN A 59 -8.172 13.794 -4.728 1.00 0.00 O ATOM 954 NE2 GLN A 59 -8.514 11.666 -5.157 1.00 0.00 N ATOM 0 H GLN A 59 -4.758 11.741 -2.675 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.054 11.067 -5.342 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.044 13.821 -4.635 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.560 12.752 -5.925 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.372 11.219 -3.844 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.397 12.763 -3.016 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.190 10.700 -5.101 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.407 11.880 -5.600 1.00 0.00 H new ATOM 963 N ASP A 60 -2.251 13.363 -3.864 1.00 0.00 N ATOM 964 CA ASP A 60 -1.047 14.177 -3.998 1.00 0.00 C ATOM 965 C ASP A 60 0.196 13.311 -4.219 1.00 0.00 C ATOM 966 O ASP A 60 1.131 13.724 -4.906 1.00 0.00 O ATOM 967 CB ASP A 60 -0.855 15.026 -2.737 1.00 0.00 C ATOM 968 CG ASP A 60 0.104 16.178 -3.020 1.00 0.00 C ATOM 969 OD1 ASP A 60 -0.225 17.008 -3.852 1.00 0.00 O ATOM 970 OD2 ASP A 60 1.156 16.214 -2.401 1.00 0.00 O ATOM 0 H ASP A 60 -2.652 13.349 -2.926 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.174 14.820 -4.869 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.816 15.417 -2.403 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.464 14.408 -1.929 1.00 0.00 H new ATOM 975 N SER A 61 0.212 12.124 -3.621 1.00 0.00 N ATOM 976 CA SER A 61 1.363 11.232 -3.750 1.00 0.00 C ATOM 977 C SER A 61 1.498 10.681 -5.172 1.00 0.00 C ATOM 978 O SER A 61 2.573 10.757 -5.767 1.00 0.00 O ATOM 979 CB SER A 61 1.237 10.070 -2.760 1.00 0.00 C ATOM 980 OG SER A 61 1.921 8.935 -3.274 1.00 0.00 O ATOM 0 H SER A 61 -0.549 11.759 -3.048 1.00 0.00 H new ATOM 0 HA SER A 61 2.257 11.814 -3.528 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.655 10.354 -1.794 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.186 9.831 -2.595 1.00 0.00 H new ATOM 0 HG SER A 61 1.389 8.129 -3.107 1.00 0.00 H new ATOM 986 N MET A 62 0.419 10.118 -5.713 1.00 0.00 N ATOM 987 CA MET A 62 0.473 9.556 -7.062 1.00 0.00 C ATOM 988 C MET A 62 0.686 10.654 -8.099 1.00 0.00 C ATOM 989 O MET A 62 1.374 10.448 -9.099 1.00 0.00 O ATOM 990 CB MET A 62 -0.811 8.782 -7.383 1.00 0.00 C ATOM 991 CG MET A 62 -2.037 9.607 -6.987 1.00 0.00 C ATOM 992 SD MET A 62 -3.491 8.990 -7.870 1.00 0.00 S ATOM 993 CE MET A 62 -4.004 7.774 -6.634 1.00 0.00 C ATOM 0 H MET A 62 -0.486 10.039 -5.250 1.00 0.00 H new ATOM 0 HA MET A 62 1.317 8.867 -7.100 1.00 0.00 H new ATOM 0 HB2 MET A 62 -0.848 8.550 -8.447 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.815 7.832 -6.849 1.00 0.00 H new ATOM 0 HG2 MET A 62 -2.198 9.545 -5.911 1.00 0.00 H new ATOM 0 HG3 MET A 62 -1.873 10.658 -7.224 1.00 0.00 H new ATOM 0 HE1 MET A 62 -4.871 7.225 -7.001 1.00 0.00 H new ATOM 0 HE2 MET A 62 -3.186 7.078 -6.448 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.264 8.285 -5.707 1.00 0.00 H new ATOM 1003 N LYS A 63 0.099 11.822 -7.858 1.00 0.00 N ATOM 1004 CA LYS A 63 0.248 12.936 -8.785 1.00 0.00 C ATOM 1005 C LYS A 63 1.720 13.313 -8.895 1.00 0.00 C ATOM 1006 O LYS A 63 2.216 13.636 -9.974 1.00 0.00 O ATOM 1007 CB LYS A 63 -0.571 14.138 -8.294 1.00 0.00 C ATOM 1008 CG LYS A 63 -0.307 15.368 -9.178 1.00 0.00 C ATOM 1009 CD LYS A 63 -0.546 15.020 -10.655 1.00 0.00 C ATOM 1010 CE LYS A 63 -0.784 16.301 -11.458 1.00 0.00 C ATOM 1011 NZ LYS A 63 -2.073 16.920 -11.038 1.00 0.00 N ATOM 0 H LYS A 63 -0.477 12.020 -7.040 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.119 12.640 -9.768 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.633 13.893 -8.310 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.312 14.364 -7.260 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.961 16.187 -8.879 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.718 15.712 -9.039 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.314 14.484 -11.055 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.406 14.357 -10.747 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.036 17.001 -11.298 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.807 16.075 -12.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.481 17.448 -11.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.735 16.175 -10.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.904 17.569 -10.243 1.00 0.00 H new ATOM 1025 N TYR A 64 2.412 13.255 -7.765 1.00 0.00 N ATOM 1026 CA TYR A 64 3.831 13.577 -7.725 1.00 0.00 C ATOM 1027 C TYR A 64 4.617 12.518 -8.506 1.00 0.00 C ATOM 1028 O TYR A 64 5.633 12.821 -9.130 1.00 0.00 O ATOM 1029 CB TYR A 64 4.281 13.660 -6.243 1.00 0.00 C ATOM 1030 CG TYR A 64 5.631 12.999 -6.020 1.00 0.00 C ATOM 1031 CD1 TYR A 64 6.745 13.422 -6.752 1.00 0.00 C ATOM 1032 CD2 TYR A 64 5.760 11.966 -5.082 1.00 0.00 C ATOM 1033 CE1 TYR A 64 7.990 12.816 -6.544 1.00 0.00 C ATOM 1034 CE2 TYR A 64 7.004 11.359 -4.875 1.00 0.00 C ATOM 1035 CZ TYR A 64 8.120 11.785 -5.605 1.00 0.00 C ATOM 1036 OH TYR A 64 9.347 11.188 -5.401 1.00 0.00 O ATOM 0 H TYR A 64 2.014 12.988 -6.865 1.00 0.00 H new ATOM 0 HA TYR A 64 4.024 14.541 -8.195 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.334 14.705 -5.938 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.534 13.181 -5.610 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.645 14.216 -7.477 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.899 11.638 -4.518 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.851 13.144 -7.108 1.00 0.00 H new ATOM 0 HE2 TYR A 64 7.103 10.562 -4.152 1.00 0.00 H new ATOM 0 HH TYR A 64 9.263 10.493 -4.715 1.00 0.00 H new ATOM 1046 N LEU A 65 4.132 11.282 -8.469 1.00 0.00 N ATOM 1047 CA LEU A 65 4.790 10.191 -9.178 1.00 0.00 C ATOM 1048 C LEU A 65 4.533 10.311 -10.678 1.00 0.00 C ATOM 1049 O LEU A 65 5.257 9.738 -11.491 1.00 0.00 O ATOM 1050 CB LEU A 65 4.276 8.836 -8.656 1.00 0.00 C ATOM 1051 CG LEU A 65 4.999 8.469 -7.338 1.00 0.00 C ATOM 1052 CD1 LEU A 65 4.099 7.573 -6.474 1.00 0.00 C ATOM 1053 CD2 LEU A 65 6.310 7.729 -7.652 1.00 0.00 C ATOM 0 H LEU A 65 3.291 11.011 -7.959 1.00 0.00 H new ATOM 0 HA LEU A 65 5.864 10.250 -9.001 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.200 8.886 -8.489 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.447 8.061 -9.403 1.00 0.00 H new ATOM 0 HG LEU A 65 5.221 9.385 -6.791 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.617 7.321 -5.549 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.176 8.103 -6.240 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.864 6.659 -7.019 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.815 7.473 -6.721 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.089 6.818 -8.208 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.956 8.371 -8.250 1.00 0.00 H new ATOM 1065 N ASP A 66 3.499 11.063 -11.030 1.00 0.00 N ATOM 1066 CA ASP A 66 3.149 11.259 -12.431 1.00 0.00 C ATOM 1067 C ASP A 66 4.163 12.174 -13.112 1.00 0.00 C ATOM 1068 O ASP A 66 4.449 12.026 -14.300 1.00 0.00 O ATOM 1069 CB ASP A 66 1.748 11.872 -12.526 1.00 0.00 C ATOM 1070 CG ASP A 66 1.153 11.625 -13.909 1.00 0.00 C ATOM 1071 OD1 ASP A 66 0.842 10.482 -14.203 1.00 0.00 O ATOM 1072 OD2 ASP A 66 1.018 12.581 -14.654 1.00 0.00 O ATOM 0 H ASP A 66 2.890 11.545 -10.369 1.00 0.00 H new ATOM 0 HA ASP A 66 3.160 10.293 -12.937 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.102 11.439 -11.762 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.799 12.943 -12.331 1.00 0.00 H new ATOM 1077 N GLN A 67 4.698 13.122 -12.349 1.00 0.00 N ATOM 1078 CA GLN A 67 5.675 14.064 -12.884 1.00 0.00 C ATOM 1079 C GLN A 67 6.985 13.358 -13.224 1.00 0.00 C ATOM 1080 O GLN A 67 7.932 13.987 -13.695 1.00 0.00 O ATOM 1081 CB GLN A 67 5.941 15.171 -11.864 1.00 0.00 C ATOM 1082 CG GLN A 67 4.638 15.915 -11.568 1.00 0.00 C ATOM 1083 CD GLN A 67 4.187 16.688 -12.803 1.00 0.00 C ATOM 1084 OE1 GLN A 67 4.802 17.689 -13.169 1.00 0.00 O ATOM 1085 NE2 GLN A 67 3.141 16.280 -13.470 1.00 0.00 N ATOM 0 H GLN A 67 4.473 13.258 -11.363 1.00 0.00 H new ATOM 0 HA GLN A 67 5.267 14.496 -13.798 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.346 14.745 -10.946 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.688 15.864 -12.250 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.865 15.207 -11.270 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.782 16.600 -10.733 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.633 15.450 -13.164 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.832 16.791 -14.297 1.00 0.00 H new ATOM 1094 N LYS A 68 7.034 12.047 -12.984 1.00 0.00 N ATOM 1095 CA LYS A 68 8.238 11.262 -13.268 1.00 0.00 C ATOM 1096 C LYS A 68 7.869 9.908 -13.868 1.00 0.00 C ATOM 1097 O LYS A 68 8.650 9.320 -14.615 1.00 0.00 O ATOM 1098 CB LYS A 68 9.044 11.052 -11.984 1.00 0.00 C ATOM 1099 CG LYS A 68 8.161 10.390 -10.923 1.00 0.00 C ATOM 1100 CD LYS A 68 8.849 10.467 -9.556 1.00 0.00 C ATOM 1101 CE LYS A 68 10.144 9.646 -9.571 1.00 0.00 C ATOM 1102 NZ LYS A 68 11.234 10.446 -10.199 1.00 0.00 N ATOM 0 H LYS A 68 6.260 11.508 -12.596 1.00 0.00 H new ATOM 0 HA LYS A 68 8.843 11.812 -13.989 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.914 10.428 -12.187 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.416 12.008 -11.616 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.192 10.887 -10.881 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.975 9.349 -11.189 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.070 11.505 -9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.180 10.091 -8.782 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.422 9.368 -8.555 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.993 8.720 -10.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.511 10.008 -11.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.898 11.415 -10.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.055 10.474 -9.562 1.00 0.00 H new ATOM 1116 N SER A 69 6.676 9.420 -13.543 1.00 0.00 N ATOM 1117 CA SER A 69 6.222 8.136 -14.066 1.00 0.00 C ATOM 1118 C SER A 69 7.297 7.065 -13.865 1.00 0.00 C ATOM 1119 O SER A 69 8.107 6.821 -14.758 1.00 0.00 O ATOM 1120 CB SER A 69 5.918 8.267 -15.558 1.00 0.00 C ATOM 1121 OG SER A 69 5.012 9.345 -15.758 1.00 0.00 O ATOM 0 H SER A 69 6.012 9.888 -12.926 1.00 0.00 H new ATOM 0 HA SER A 69 5.321 7.842 -13.528 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.839 8.442 -16.115 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.488 7.340 -15.936 1.00 0.00 H new ATOM 0 HG SER A 69 4.815 9.434 -16.714 1.00 0.00 H new ATOM 1127 N PRO A 70 7.326 6.424 -12.719 1.00 0.00 N ATOM 1128 CA PRO A 70 8.337 5.365 -12.421 1.00 0.00 C ATOM 1129 C PRO A 70 8.461 4.351 -13.558 1.00 0.00 C ATOM 1130 O PRO A 70 7.574 3.522 -13.764 1.00 0.00 O ATOM 1131 CB PRO A 70 7.803 4.711 -11.140 1.00 0.00 C ATOM 1132 CG PRO A 70 7.020 5.789 -10.462 1.00 0.00 C ATOM 1133 CD PRO A 70 6.407 6.633 -11.584 1.00 0.00 C ATOM 0 HA PRO A 70 9.342 5.771 -12.306 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.176 3.849 -11.367 1.00 0.00 H new ATOM 0 HB3 PRO A 70 8.617 4.355 -10.508 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.244 5.366 -9.824 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.662 6.396 -9.824 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.395 6.307 -11.823 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.346 7.685 -11.306 1.00 0.00 H new ATOM 1141 N THR A 71 9.569 4.426 -14.290 1.00 0.00 N ATOM 1142 CA THR A 71 9.807 3.514 -15.405 1.00 0.00 C ATOM 1143 C THR A 71 8.689 3.644 -16.447 1.00 0.00 C ATOM 1144 O THR A 71 7.545 3.929 -16.092 1.00 0.00 O ATOM 1145 CB THR A 71 9.869 2.071 -14.891 1.00 0.00 C ATOM 1146 OG1 THR A 71 8.549 1.581 -14.702 1.00 0.00 O ATOM 1147 CG2 THR A 71 10.626 2.028 -13.562 1.00 0.00 C ATOM 0 H THR A 71 10.313 5.106 -14.132 1.00 0.00 H new ATOM 0 HA THR A 71 10.757 3.773 -15.873 1.00 0.00 H new ATOM 0 HB THR A 71 10.389 1.449 -15.620 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.936 2.334 -14.569 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.668 1.001 -13.200 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.639 2.403 -13.708 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.111 2.650 -12.830 1.00 0.00 H new ATOM 1155 N PRO A 72 8.980 3.442 -17.713 1.00 0.00 N ATOM 1156 CA PRO A 72 7.951 3.546 -18.791 1.00 0.00 C ATOM 1157 C PRO A 72 6.993 2.355 -18.783 1.00 0.00 C ATOM 1158 O PRO A 72 5.775 2.524 -18.729 1.00 0.00 O ATOM 1159 CB PRO A 72 8.786 3.584 -20.078 1.00 0.00 C ATOM 1160 CG PRO A 72 10.024 2.818 -19.746 1.00 0.00 C ATOM 1161 CD PRO A 72 10.306 3.097 -18.266 1.00 0.00 C ATOM 0 HA PRO A 72 7.309 4.419 -18.673 1.00 0.00 H new ATOM 0 HB2 PRO A 72 8.250 3.130 -20.912 1.00 0.00 H new ATOM 0 HB3 PRO A 72 9.019 4.608 -20.369 1.00 0.00 H new ATOM 0 HG2 PRO A 72 9.883 1.752 -19.922 1.00 0.00 H new ATOM 0 HG3 PRO A 72 10.859 3.136 -20.370 1.00 0.00 H new ATOM 0 HD2 PRO A 72 10.732 2.226 -17.769 1.00 0.00 H new ATOM 0 HD3 PRO A 72 11.016 3.914 -18.141 1.00 0.00 H new ATOM 1169 N LYS A 73 7.554 1.150 -18.838 1.00 0.00 N ATOM 1170 CA LYS A 73 6.743 -0.061 -18.837 1.00 0.00 C ATOM 1171 C LYS A 73 5.678 0.016 -17.736 1.00 0.00 C ATOM 1172 O LYS A 73 5.882 0.682 -16.722 1.00 0.00 O ATOM 1173 CB LYS A 73 7.644 -1.282 -18.610 1.00 0.00 C ATOM 1174 CG LYS A 73 8.715 -0.939 -17.573 1.00 0.00 C ATOM 1175 CD LYS A 73 9.452 -2.214 -17.159 1.00 0.00 C ATOM 1176 CE LYS A 73 10.444 -1.891 -16.040 1.00 0.00 C ATOM 1177 NZ LYS A 73 11.370 -3.043 -15.850 1.00 0.00 N ATOM 0 H LYS A 73 8.560 0.988 -18.883 1.00 0.00 H new ATOM 0 HA LYS A 73 6.243 -0.156 -19.801 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.048 -2.128 -18.267 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.113 -1.581 -19.548 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.419 -0.217 -17.987 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.256 -0.472 -16.701 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.738 -2.965 -16.821 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.978 -2.637 -18.015 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.010 -0.993 -16.289 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.909 -1.684 -15.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 12.045 -2.824 -15.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.823 -3.890 -15.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.890 -3.220 -16.733 1.00 0.00 H new ATOM 1191 N PRO A 74 4.555 -0.645 -17.908 1.00 0.00 N ATOM 1192 CA PRO A 74 3.459 -0.632 -16.892 1.00 0.00 C ATOM 1193 C PRO A 74 3.830 -1.439 -15.646 1.00 0.00 C ATOM 1194 O PRO A 74 4.554 -2.410 -15.787 1.00 0.00 O ATOM 1195 CB PRO A 74 2.274 -1.264 -17.637 1.00 0.00 C ATOM 1196 CG PRO A 74 2.901 -2.161 -18.655 1.00 0.00 C ATOM 1197 CD PRO A 74 4.200 -1.473 -19.079 1.00 0.00 C ATOM 1198 OXT PRO A 74 3.383 -1.069 -14.573 1.00 0.00 O ATOM 0 HA PRO A 74 3.243 0.370 -16.521 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.632 -1.824 -16.957 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.652 -0.504 -18.109 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.100 -3.147 -18.236 1.00 0.00 H new ATOM 0 HG3 PRO A 74 2.239 -2.305 -19.509 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.981 -2.198 -19.308 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.058 -0.864 -19.972 1.00 0.00 H new TER 1206 PRO A 74 ATOM 1207 N VAL B 208 -0.655 -2.217 16.138 1.00 0.00 N ATOM 1208 CA VAL B 208 0.278 -1.113 15.779 1.00 0.00 C ATOM 1209 C VAL B 208 -0.523 0.150 15.483 1.00 0.00 C ATOM 1210 O VAL B 208 -1.621 0.086 14.932 1.00 0.00 O ATOM 1211 CB VAL B 208 1.092 -1.516 14.548 1.00 0.00 C ATOM 1212 CG1 VAL B 208 1.917 -2.764 14.866 1.00 0.00 C ATOM 1213 CG2 VAL B 208 0.141 -1.818 13.387 1.00 0.00 C ATOM 0 HA VAL B 208 0.957 -0.920 16.609 1.00 0.00 H new ATOM 0 HB VAL B 208 1.760 -0.700 14.271 1.00 0.00 H new ATOM 0 HG11 VAL B 208 2.497 -3.050 13.988 1.00 0.00 H new ATOM 0 HG12 VAL B 208 2.593 -2.552 15.694 1.00 0.00 H new ATOM 0 HG13 VAL B 208 1.250 -3.580 15.142 1.00 0.00 H new ATOM 0 HG21 VAL B 208 0.719 -2.105 12.509 1.00 0.00 H new ATOM 0 HG22 VAL B 208 -0.526 -2.634 13.666 1.00 0.00 H new ATOM 0 HG23 VAL B 208 -0.448 -0.930 13.159 1.00 0.00 H new ATOM 1225 N GLU B 209 0.033 1.298 15.854 1.00 0.00 N ATOM 1226 CA GLU B 209 -0.639 2.573 15.624 1.00 0.00 C ATOM 1227 C GLU B 209 -0.829 2.815 14.130 1.00 0.00 C ATOM 1228 O GLU B 209 0.060 2.532 13.326 1.00 0.00 O ATOM 1229 CB GLU B 209 0.182 3.713 16.228 1.00 0.00 C ATOM 1230 CG GLU B 209 -0.665 4.986 16.268 1.00 0.00 C ATOM 1231 CD GLU B 209 -1.755 4.854 17.326 1.00 0.00 C ATOM 1232 OE1 GLU B 209 -1.412 4.646 18.478 1.00 0.00 O ATOM 1233 OE2 GLU B 209 -2.916 4.963 16.969 1.00 0.00 O ATOM 0 H GLU B 209 0.941 1.373 16.312 1.00 0.00 H new ATOM 0 HA GLU B 209 -1.618 2.539 16.103 1.00 0.00 H new ATOM 0 HB2 GLU B 209 0.507 3.448 17.234 1.00 0.00 H new ATOM 0 HB3 GLU B 209 1.082 3.881 15.636 1.00 0.00 H new ATOM 0 HG2 GLU B 209 -0.033 5.846 16.490 1.00 0.00 H new ATOM 0 HG3 GLU B 209 -1.115 5.164 15.291 1.00 0.00 H new ATOM 1240 N THR B 210 -1.994 3.341 13.766 1.00 0.00 N ATOM 1241 CA THR B 210 -2.291 3.619 12.365 1.00 0.00 C ATOM 1242 C THR B 210 -3.518 4.518 12.247 1.00 0.00 C ATOM 1243 O THR B 210 -4.365 4.548 13.139 1.00 0.00 O ATOM 1244 CB THR B 210 -2.541 2.309 11.614 1.00 0.00 C ATOM 1245 OG1 THR B 210 -1.385 1.488 11.701 1.00 0.00 O ATOM 1246 CG2 THR B 210 -2.846 2.610 10.146 1.00 0.00 C ATOM 0 H THR B 210 -2.743 3.582 14.416 1.00 0.00 H new ATOM 0 HA THR B 210 -1.435 4.131 11.925 1.00 0.00 H new ATOM 0 HB THR B 210 -3.390 1.791 12.059 1.00 0.00 H new ATOM 0 HG1 THR B 210 -0.592 2.051 11.820 1.00 0.00 H new ATOM 0 HG21 THR B 210 -3.024 1.676 9.612 1.00 0.00 H new ATOM 0 HG22 THR B 210 -3.733 3.240 10.080 1.00 0.00 H new ATOM 0 HG23 THR B 210 -1.999 3.129 9.697 1.00 0.00 H new ATOM 1254 N PHE B 211 -3.606 5.250 11.141 1.00 0.00 N ATOM 1255 CA PHE B 211 -4.734 6.146 10.919 1.00 0.00 C ATOM 1256 C PHE B 211 -4.809 7.191 12.033 1.00 0.00 C ATOM 1257 O PHE B 211 -5.455 6.970 13.057 1.00 0.00 O ATOM 1258 CB PHE B 211 -6.040 5.337 10.878 1.00 0.00 C ATOM 1259 CG PHE B 211 -7.128 6.138 10.190 1.00 0.00 C ATOM 1260 CD1 PHE B 211 -7.710 7.235 10.840 1.00 0.00 C ATOM 1261 CD2 PHE B 211 -7.553 5.783 8.903 1.00 0.00 C ATOM 1262 CE1 PHE B 211 -8.714 7.973 10.203 1.00 0.00 C ATOM 1263 CE2 PHE B 211 -8.558 6.522 8.267 1.00 0.00 C ATOM 1264 CZ PHE B 211 -9.137 7.618 8.917 1.00 0.00 C ATOM 0 H PHE B 211 -2.915 5.241 10.390 1.00 0.00 H new ATOM 0 HA PHE B 211 -4.595 6.657 9.966 1.00 0.00 H new ATOM 0 HB2 PHE B 211 -5.879 4.398 10.348 1.00 0.00 H new ATOM 0 HB3 PHE B 211 -6.351 5.082 11.891 1.00 0.00 H new ATOM 0 HD1 PHE B 211 -7.384 7.511 11.832 1.00 0.00 H new ATOM 0 HD2 PHE B 211 -7.105 4.938 8.401 1.00 0.00 H new ATOM 0 HE1 PHE B 211 -9.163 8.818 10.704 1.00 0.00 H new ATOM 0 HE2 PHE B 211 -8.886 6.246 7.276 1.00 0.00 H new ATOM 0 HZ PHE B 211 -9.910 8.190 8.426 1.00 0.00 H new ATOM 1274 N GLY B 212 -4.141 8.326 11.830 1.00 0.00 N ATOM 1275 CA GLY B 212 -4.135 9.401 12.826 1.00 0.00 C ATOM 1276 C GLY B 212 -4.175 10.769 12.151 1.00 0.00 C ATOM 1277 O GLY B 212 -5.009 11.017 11.281 1.00 0.00 O ATOM 0 H GLY B 212 -3.599 8.526 10.990 1.00 0.00 H new ATOM 0 HA2 GLY B 212 -4.994 9.293 13.489 1.00 0.00 H new ATOM 0 HA3 GLY B 212 -3.242 9.323 13.446 1.00 0.00 H new ATOM 1281 N THR B 213 -3.270 11.654 12.558 1.00 0.00 N ATOM 1282 CA THR B 213 -3.217 12.994 11.983 1.00 0.00 C ATOM 1283 C THR B 213 -1.976 13.742 12.465 1.00 0.00 C ATOM 1284 O THR B 213 -2.025 14.946 12.716 1.00 0.00 O ATOM 1285 CB THR B 213 -4.470 13.779 12.372 1.00 0.00 C ATOM 1286 OG1 THR B 213 -4.374 15.103 11.867 1.00 0.00 O ATOM 1287 CG2 THR B 213 -4.596 13.821 13.896 1.00 0.00 C ATOM 0 H THR B 213 -2.570 11.470 13.277 1.00 0.00 H new ATOM 0 HA THR B 213 -3.168 12.898 10.898 1.00 0.00 H new ATOM 0 HB THR B 213 -5.349 13.292 11.950 1.00 0.00 H new ATOM 0 HG1 THR B 213 -3.591 15.545 12.256 1.00 0.00 H new ATOM 0 HG21 THR B 213 -5.490 14.381 14.172 1.00 0.00 H new ATOM 0 HG22 THR B 213 -4.671 12.805 14.283 1.00 0.00 H new ATOM 0 HG23 THR B 213 -3.718 14.307 14.320 1.00 0.00 H new ATOM 1295 N THR B 214 -0.864 13.020 12.589 1.00 0.00 N ATOM 1296 CA THR B 214 0.389 13.622 13.041 1.00 0.00 C ATOM 1297 C THR B 214 1.584 12.862 12.473 1.00 0.00 C ATOM 1298 O THR B 214 1.845 11.720 12.853 1.00 0.00 O ATOM 1299 CB THR B 214 0.455 13.605 14.571 1.00 0.00 C ATOM 1300 OG1 THR B 214 0.300 12.271 15.034 1.00 0.00 O ATOM 1301 CG2 THR B 214 -0.661 14.480 15.145 1.00 0.00 C ATOM 0 H THR B 214 -0.805 12.023 12.384 1.00 0.00 H new ATOM 0 HA THR B 214 0.424 14.652 12.686 1.00 0.00 H new ATOM 0 HB THR B 214 1.419 13.994 14.897 1.00 0.00 H new ATOM 0 HG1 THR B 214 0.750 11.656 14.418 1.00 0.00 H new ATOM 0 HG21 THR B 214 -0.611 14.466 16.234 1.00 0.00 H new ATOM 0 HG22 THR B 214 -0.540 15.503 14.790 1.00 0.00 H new ATOM 0 HG23 THR B 214 -1.628 14.095 14.821 1.00 0.00 H new ATOM 1309 N SER B 215 2.308 13.503 11.559 1.00 0.00 N ATOM 1310 CA SER B 215 3.477 12.879 10.941 1.00 0.00 C ATOM 1311 C SER B 215 3.174 11.436 10.551 1.00 0.00 C ATOM 1312 O SER B 215 2.018 11.070 10.347 1.00 0.00 O ATOM 1313 CB SER B 215 4.658 12.910 11.910 1.00 0.00 C ATOM 1314 OG SER B 215 4.720 14.185 12.534 1.00 0.00 O ATOM 0 H SER B 215 2.109 14.448 11.231 1.00 0.00 H new ATOM 0 HA SER B 215 3.730 13.440 10.041 1.00 0.00 H new ATOM 0 HB2 SER B 215 4.547 12.129 12.662 1.00 0.00 H new ATOM 0 HB3 SER B 215 5.587 12.708 11.376 1.00 0.00 H new ATOM 0 HG SER B 215 5.647 14.504 12.536 1.00 0.00 H new HETATM 1320 N TYS B 216 4.220 10.614 10.451 1.00 0.00 N HETATM 1321 CA TYS B 216 4.042 9.210 10.087 1.00 0.00 C HETATM 1322 CB TYS B 216 3.949 9.077 8.559 1.00 0.00 C HETATM 1323 CG TYS B 216 3.301 7.754 8.202 1.00 0.00 C HETATM 1324 CD1 TYS B 216 1.955 7.527 8.508 1.00 0.00 C HETATM 1325 CD2 TYS B 216 4.046 6.756 7.575 1.00 0.00 C HETATM 1326 CE1 TYS B 216 1.359 6.301 8.187 1.00 0.00 C HETATM 1327 CE2 TYS B 216 3.456 5.532 7.252 1.00 0.00 C HETATM 1328 CZ TYS B 216 2.110 5.302 7.560 1.00 0.00 C HETATM 1329 OH TYS B 216 1.526 4.095 7.244 1.00 0.00 O HETATM 1330 S TYS B 216 1.055 3.154 8.363 1.00 0.00 S HETATM 1331 O1 TYS B 216 0.743 3.950 9.582 1.00 0.00 O HETATM 1332 O2 TYS B 216 -0.167 2.426 7.917 1.00 0.00 O HETATM 1333 O3 TYS B 216 2.133 2.173 8.672 1.00 0.00 O HETATM 1334 C TYS B 216 5.189 8.355 10.638 1.00 0.00 C HETATM 1335 O TYS B 216 5.038 7.720 11.681 1.00 0.00 O HETATM 0 HO3 TYS B 216 1.834 1.572 9.386 1.00 0.00 H new HETATM 0 HE2 TYS B 216 4.043 4.756 6.760 1.00 0.00 H new HETATM 0 HE1 TYS B 216 0.310 6.126 8.426 1.00 0.00 H new HETATM 0 HD2 TYS B 216 5.095 6.932 7.336 1.00 0.00 H new HETATM 0 HD1 TYS B 216 1.369 8.305 8.997 1.00 0.00 H new HETATM 0 HB3 TYS B 216 3.367 9.901 8.147 1.00 0.00 H new HETATM 0 HB2 TYS B 216 4.944 9.137 8.117 1.00 0.00 H new HETATM 0 HA TYS B 216 3.114 8.847 10.529 1.00 0.00 H new HETATM 1344 N TYS B 217 6.336 8.339 9.951 1.00 0.00 N HETATM 1345 CA TYS B 217 7.480 7.545 10.424 1.00 0.00 C HETATM 1346 CB TYS B 217 8.406 7.153 9.258 1.00 0.00 C HETATM 1347 CG TYS B 217 7.793 6.019 8.457 1.00 0.00 C HETATM 1348 CD1 TYS B 217 7.458 6.213 7.112 1.00 0.00 C HETATM 1349 CD2 TYS B 217 7.552 4.776 9.062 1.00 0.00 C HETATM 1350 CE1 TYS B 217 6.877 5.176 6.373 1.00 0.00 C HETATM 1351 CE2 TYS B 217 6.976 3.736 8.322 1.00 0.00 C HETATM 1352 CZ TYS B 217 6.635 3.934 6.979 1.00 0.00 C HETATM 1353 OH TYS B 217 6.054 2.906 6.262 1.00 0.00 O HETATM 1354 S TYS B 217 6.290 2.771 4.749 1.00 0.00 S HETATM 1355 O1 TYS B 217 6.465 1.334 4.400 1.00 0.00 O HETATM 1356 O2 TYS B 217 5.117 3.323 4.014 1.00 0.00 O HETATM 1357 O3 TYS B 217 7.515 3.528 4.367 1.00 0.00 O HETATM 1358 C TYS B 217 8.284 8.328 11.460 1.00 0.00 C HETATM 1359 O TYS B 217 9.179 7.778 12.099 1.00 0.00 O HETATM 0 HO3 TYS B 217 7.272 4.449 4.137 1.00 0.00 H new HETATM 0 HE2 TYS B 217 6.793 2.770 8.793 1.00 0.00 H new HETATM 0 HE1 TYS B 217 6.613 5.333 5.327 1.00 0.00 H new HETATM 0 HD2 TYS B 217 7.813 4.620 10.109 1.00 0.00 H new HETATM 0 HD1 TYS B 217 7.650 7.176 6.638 1.00 0.00 H new HETATM 0 HB3 TYS B 217 8.573 8.015 8.612 1.00 0.00 H new HETATM 0 HB2 TYS B 217 9.379 6.850 9.644 1.00 0.00 H new HETATM 0 HA TYS B 217 7.082 6.638 10.879 1.00 0.00 H new HETATM 0 H TYS B 217 6.243 8.558 8.959 1.00 0.00 H new ATOM 1368 N ASP B 218 7.964 9.609 11.625 1.00 0.00 N ATOM 1369 CA ASP B 218 8.678 10.438 12.593 1.00 0.00 C ATOM 1370 C ASP B 218 8.844 9.685 13.911 1.00 0.00 C ATOM 1371 O ASP B 218 9.740 9.982 14.701 1.00 0.00 O ATOM 1372 CB ASP B 218 7.919 11.748 12.832 1.00 0.00 C ATOM 1373 CG ASP B 218 8.152 12.707 11.668 1.00 0.00 C ATOM 1374 OD1 ASP B 218 8.709 12.275 10.673 1.00 0.00 O ATOM 1375 OD2 ASP B 218 7.767 13.859 11.789 1.00 0.00 O ATOM 0 H ASP B 218 7.227 10.090 11.110 1.00 0.00 H new ATOM 0 HA ASP B 218 9.664 10.670 12.191 1.00 0.00 H new ATOM 0 HB2 ASP B 218 6.853 11.546 12.939 1.00 0.00 H new ATOM 0 HB3 ASP B 218 8.252 12.206 13.763 1.00 0.00 H new ATOM 1380 N ASP B 219 7.978 8.702 14.133 1.00 0.00 N ATOM 1381 CA ASP B 219 8.043 7.901 15.348 1.00 0.00 C ATOM 1382 C ASP B 219 9.208 6.924 15.264 1.00 0.00 C ATOM 1383 O ASP B 219 9.895 6.675 16.253 1.00 0.00 O ATOM 1384 CB ASP B 219 6.735 7.129 15.538 1.00 0.00 C ATOM 1385 CG ASP B 219 5.581 8.102 15.751 1.00 0.00 C ATOM 1386 OD1 ASP B 219 5.675 8.912 16.658 1.00 0.00 O ATOM 1387 OD2 ASP B 219 4.620 8.022 15.004 1.00 0.00 O ATOM 0 H ASP B 219 7.228 8.443 13.492 1.00 0.00 H new ATOM 0 HA ASP B 219 8.192 8.565 16.200 1.00 0.00 H new ATOM 0 HB2 ASP B 219 6.540 6.507 14.664 1.00 0.00 H new ATOM 0 HB3 ASP B 219 6.819 6.459 16.394 1.00 0.00 H new ATOM 1392 N VAL B 220 9.422 6.387 14.064 1.00 0.00 N ATOM 1393 CA VAL B 220 10.506 5.438 13.821 1.00 0.00 C ATOM 1394 C VAL B 220 10.264 4.124 14.560 1.00 0.00 C ATOM 1395 O VAL B 220 10.544 3.048 14.031 1.00 0.00 O ATOM 1396 CB VAL B 220 11.849 6.042 14.244 1.00 0.00 C ATOM 1397 CG1 VAL B 220 12.991 5.216 13.647 1.00 0.00 C ATOM 1398 CG2 VAL B 220 11.942 7.484 13.729 1.00 0.00 C ATOM 0 H VAL B 220 8.856 6.595 13.241 1.00 0.00 H new ATOM 0 HA VAL B 220 10.534 5.227 12.752 1.00 0.00 H new ATOM 0 HB VAL B 220 11.925 6.035 15.331 1.00 0.00 H new ATOM 0 HG11 VAL B 220 13.947 5.646 13.948 1.00 0.00 H new ATOM 0 HG12 VAL B 220 12.925 4.190 14.008 1.00 0.00 H new ATOM 0 HG13 VAL B 220 12.916 5.224 12.560 1.00 0.00 H new ATOM 0 HG21 VAL B 220 12.897 7.916 14.029 1.00 0.00 H new ATOM 0 HG22 VAL B 220 11.867 7.488 12.642 1.00 0.00 H new ATOM 0 HG23 VAL B 220 11.128 8.074 14.151 1.00 0.00 H new ATOM 1408 N GLY B 221 9.733 4.210 15.776 1.00 0.00 N ATOM 1409 CA GLY B 221 9.452 3.012 16.556 1.00 0.00 C ATOM 1410 C GLY B 221 8.292 2.244 15.938 1.00 0.00 C ATOM 1411 O GLY B 221 7.888 1.193 16.435 1.00 0.00 O ATOM 0 H GLY B 221 9.491 5.087 16.238 1.00 0.00 H new ATOM 0 HA2 GLY B 221 10.338 2.378 16.595 1.00 0.00 H new ATOM 0 HA3 GLY B 221 9.211 3.286 17.583 1.00 0.00 H new ATOM 1415 N LEU B 222 7.761 2.785 14.847 1.00 0.00 N ATOM 1416 CA LEU B 222 6.644 2.158 14.150 1.00 0.00 C ATOM 1417 C LEU B 222 7.101 0.874 13.461 1.00 0.00 C ATOM 1418 O LEU B 222 6.594 -0.210 13.747 1.00 0.00 O ATOM 1419 CB LEU B 222 6.074 3.140 13.117 1.00 0.00 C ATOM 1420 CG LEU B 222 5.059 2.438 12.204 1.00 0.00 C ATOM 1421 CD1 LEU B 222 4.031 1.677 13.048 1.00 0.00 C ATOM 1422 CD2 LEU B 222 4.342 3.490 11.352 1.00 0.00 C ATOM 0 H LEU B 222 8.086 3.656 14.426 1.00 0.00 H new ATOM 0 HA LEU B 222 5.869 1.902 14.872 1.00 0.00 H new ATOM 0 HB2 LEU B 222 5.595 3.975 13.628 1.00 0.00 H new ATOM 0 HB3 LEU B 222 6.884 3.555 12.517 1.00 0.00 H new ATOM 0 HG LEU B 222 5.581 1.730 11.560 1.00 0.00 H new ATOM 0 HD11 LEU B 222 3.315 1.182 12.391 1.00 0.00 H new ATOM 0 HD12 LEU B 222 4.541 0.930 13.657 1.00 0.00 H new ATOM 0 HD13 LEU B 222 3.504 2.376 13.697 1.00 0.00 H new ATOM 0 HD21 LEU B 222 3.619 2.999 10.700 1.00 0.00 H new ATOM 0 HD22 LEU B 222 3.824 4.194 12.003 1.00 0.00 H new ATOM 0 HD23 LEU B 222 5.072 4.026 10.745 1.00 0.00 H new ATOM 1434 N LEU B 223 8.063 1.006 12.553 1.00 0.00 N ATOM 1435 CA LEU B 223 8.582 -0.148 11.829 1.00 0.00 C ATOM 1436 C LEU B 223 8.872 -1.295 12.795 1.00 0.00 C ATOM 1437 O LEU B 223 9.742 -1.130 13.634 1.00 0.00 O ATOM 1438 CB LEU B 223 9.862 0.246 11.077 1.00 0.00 C ATOM 1439 CG LEU B 223 10.557 -0.998 10.502 1.00 0.00 C ATOM 1440 CD1 LEU B 223 9.547 -1.858 9.734 1.00 0.00 C ATOM 1441 CD2 LEU B 223 11.674 -0.554 9.553 1.00 0.00 C ATOM 1442 OXT LEU B 223 8.220 -2.319 12.681 1.00 0.00 O ATOM 0 H LEU B 223 8.496 1.895 12.302 1.00 0.00 H new ATOM 0 HA LEU B 223 7.833 -0.482 11.111 1.00 0.00 H new ATOM 0 HB2 LEU B 223 9.618 0.938 10.271 1.00 0.00 H new ATOM 0 HB3 LEU B 223 10.540 0.769 11.752 1.00 0.00 H new ATOM 0 HG LEU B 223 10.975 -1.587 11.319 1.00 0.00 H new ATOM 0 HD11 LEU B 223 10.050 -2.737 9.331 1.00 0.00 H new ATOM 0 HD12 LEU B 223 8.750 -2.173 10.408 1.00 0.00 H new ATOM 0 HD13 LEU B 223 9.121 -1.276 8.916 1.00 0.00 H new ATOM 0 HD21 LEU B 223 12.172 -1.432 9.141 1.00 0.00 H new ATOM 0 HD22 LEU B 223 11.249 0.036 8.741 1.00 0.00 H new ATOM 0 HD23 LEU B 223 12.398 0.050 10.100 1.00 0.00 H new TER 1454 LEU B 223