USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 643 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 109 LYS NZ :NH3+ -168:sc= 1.9 (180deg=1.2) USER MOD Set 1.2: A 127 GLN : amide:sc= 2.06 K(o=4,f=-2.8) USER MOD Set 2.1: A 92 GLN : amide:sc= 0.411 K(o=0.54,f=-2.7!) USER MOD Set 2.2: A 95 CYS SG : rot 84:sc= 0.124 USER MOD Set 3.1: A 77 SER OG : rot 115:sc= -0.408 USER MOD Set 3.2: A 115 ASN : amide:sc= 0.543 X(o=0.14,f=-0.12) USER MOD Set 4.1: A 76 MET CE :methyl -118:sc= -0.175 (180deg=-0.834) USER MOD Set 4.2: A 84 LYS NZ :NH3+ -134:sc= 0.941 (180deg=1.13) USER MOD Set 5.1: A 55 SER OG : rot 171:sc= 0.24 USER MOD Set 5.2: A 57 THR OG1 : rot -52:sc= 0.242 USER MOD Single : A 56 ASN : amide:sc= 0.755 K(o=0.75,f=-2.7!) USER MOD Single : A 64 ASN : amide:sc= 0.395 X(o=0.4,f=-0.0083) USER MOD Single : A 65 LYS NZ :NH3+ 151:sc= 0.942 (180deg=-0.00818) USER MOD Single : A 66 GLN : amide:sc= -0.217 K(o=-0.22,f=-0.97) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0279 USER MOD Single : A 71 ASN : amide:sc= -0.257 K(o=-0.26,f=-0.91) USER MOD Single : A 74 ASN : amide:sc= 0.519 K(o=0.52,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -6.76! C(o=-6.8!,f=-6.8!) USER MOD Single : A 81 CYS SG : rot 50:sc= 0.455 USER MOD Single : A 83 MET CE :methyl -151:sc= -0.155 (180deg=-0.725) USER MOD Single : A 87 LYS NZ :NH3+ -150:sc= 0.581 (180deg=-0.727) USER MOD Single : A 96 CYS SG : rot 123:sc= 0.337 USER MOD Single : A 103 HIS : no HD1:sc= 0.074 K(o=2.2,f=-11!) USER MOD Single : A 105 HIS : no HD1:sc= -8.79! C(o=-8.8!,f=-6.9!) USER MOD Single : A 106 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00514) USER MOD Single : A 108 LYS NZ :NH3+ -154:sc= 1.12 (180deg=0.584) USER MOD Single : A 116 THR OG1 : rot -51:sc= 0.892 USER MOD Single : A 120 SER OG : rot -33:sc= 0.267 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 55 -12.835 7.674 2.631 1.00 0.00 N ATOM 2 CA SER A 55 -12.642 6.984 1.354 1.00 0.00 C ATOM 3 C SER A 55 -12.737 5.503 1.546 1.00 0.00 C ATOM 4 O SER A 55 -12.980 5.016 2.648 1.00 0.00 O ATOM 5 CB SER A 55 -11.250 7.304 0.776 1.00 0.00 C ATOM 6 OG SER A 55 -11.222 7.039 -0.623 1.00 0.00 O ATOM 0 HA SER A 55 -13.418 7.325 0.669 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.004 8.350 0.960 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.493 6.705 1.282 1.00 0.00 H new ATOM 0 HG SER A 55 -10.386 7.380 -1.004 1.00 0.00 H new ATOM 14 N ASN A 56 -12.562 4.757 0.442 1.00 0.00 N ATOM 15 CA ASN A 56 -12.439 3.332 0.518 1.00 0.00 C ATOM 16 C ASN A 56 -11.414 2.950 -0.506 1.00 0.00 C ATOM 17 O ASN A 56 -11.394 1.828 -1.016 1.00 0.00 O ATOM 18 CB ASN A 56 -13.770 2.611 0.264 1.00 0.00 C ATOM 19 CG ASN A 56 -13.652 1.172 0.760 1.00 0.00 C ATOM 20 OD1 ASN A 56 -12.886 0.872 1.677 1.00 0.00 O ATOM 21 ND2 ASN A 56 -14.442 0.252 0.146 1.00 0.00 N ATOM 0 H ASN A 56 -12.505 5.138 -0.503 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.140 3.031 1.522 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.581 3.123 0.781 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.010 2.625 -0.799 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -14.413 -0.724 0.441 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -15.064 0.537 -0.610 1.00 0.00 H new ATOM 28 N THR A 57 -10.516 3.906 -0.812 1.00 0.00 N ATOM 29 CA THR A 57 -9.543 3.699 -1.842 1.00 0.00 C ATOM 30 C THR A 57 -8.262 4.325 -1.378 1.00 0.00 C ATOM 31 O THR A 57 -8.268 5.289 -0.610 1.00 0.00 O ATOM 32 CB THR A 57 -9.946 4.336 -3.185 1.00 0.00 C ATOM 33 OG1 THR A 57 -9.985 5.754 -3.074 1.00 0.00 O ATOM 34 CG2 THR A 57 -11.354 3.948 -3.645 1.00 0.00 C ATOM 0 H THR A 57 -10.463 4.814 -0.351 1.00 0.00 H new ATOM 0 HA THR A 57 -9.448 2.627 -2.014 1.00 0.00 H new ATOM 0 HB THR A 57 -9.199 3.977 -3.893 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.539 6.007 -2.306 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.572 4.432 -4.597 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.412 2.866 -3.766 1.00 0.00 H new ATOM 0 HG23 THR A 57 -12.082 4.269 -2.900 1.00 0.00 H new ATOM 42 N ILE A 58 -7.128 3.748 -1.817 1.00 0.00 N ATOM 43 CA ILE A 58 -5.849 4.358 -1.591 1.00 0.00 C ATOM 44 C ILE A 58 -5.067 4.143 -2.843 1.00 0.00 C ATOM 45 O ILE A 58 -5.446 3.328 -3.687 1.00 0.00 O ATOM 46 CB ILE A 58 -5.047 3.764 -0.416 1.00 0.00 C ATOM 47 CG1 ILE A 58 -5.911 3.018 0.607 1.00 0.00 C ATOM 48 CG2 ILE A 58 -4.152 4.791 0.308 1.00 0.00 C ATOM 49 CD1 ILE A 58 -6.178 1.558 0.231 1.00 0.00 C ATOM 0 H ILE A 58 -7.094 2.865 -2.326 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.017 5.404 -1.334 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.397 3.035 -0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.419 3.051 1.579 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.863 3.537 0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.619 4.299 1.122 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.433 5.208 -0.397 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.771 5.593 0.711 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.795 1.092 0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.698 1.518 -0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.231 1.024 0.152 1.00 0.00 H new ATOM 61 N ARG A 59 -3.941 4.863 -3.008 1.00 0.00 N ATOM 62 CA ARG A 59 -3.182 4.710 -4.207 1.00 0.00 C ATOM 63 C ARG A 59 -2.034 3.824 -3.893 1.00 0.00 C ATOM 64 O ARG A 59 -1.593 3.764 -2.754 1.00 0.00 O ATOM 65 CB ARG A 59 -2.633 6.032 -4.720 1.00 0.00 C ATOM 66 CG ARG A 59 -3.708 6.928 -5.331 1.00 0.00 C ATOM 67 CD ARG A 59 -4.379 7.864 -4.320 1.00 0.00 C ATOM 68 NE ARG A 59 -5.817 7.470 -4.220 1.00 0.00 N ATOM 69 CZ ARG A 59 -6.624 8.040 -3.284 1.00 0.00 C ATOM 70 NH1 ARG A 59 -6.106 8.754 -2.268 1.00 0.00 N ATOM 71 NH2 ARG A 59 -7.945 7.757 -3.265 1.00 0.00 N ATOM 0 H ARG A 59 -3.567 5.530 -2.333 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.833 4.300 -4.979 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.150 6.562 -3.899 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.865 5.834 -5.467 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.261 7.526 -6.125 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.470 6.301 -5.794 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.893 7.788 -3.347 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.288 8.902 -4.641 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.196 6.770 -4.857 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.096 8.874 -2.192 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.723 9.175 -1.574 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.339 7.115 -3.953 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.548 8.185 -2.563 1.00 0.00 H new ATOM 85 N VAL A 60 -1.511 3.149 -4.929 1.00 0.00 N ATOM 86 CA VAL A 60 -0.390 2.279 -4.736 1.00 0.00 C ATOM 87 C VAL A 60 0.628 2.642 -5.761 1.00 0.00 C ATOM 88 O VAL A 60 0.445 2.388 -6.948 1.00 0.00 O ATOM 89 CB VAL A 60 -0.706 0.784 -4.872 1.00 0.00 C ATOM 90 CG1 VAL A 60 0.409 -0.121 -4.330 1.00 0.00 C ATOM 91 CG2 VAL A 60 -2.035 0.386 -4.219 1.00 0.00 C ATOM 0 H VAL A 60 -1.856 3.202 -5.888 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.047 2.418 -3.711 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.787 0.629 -5.948 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.123 -1.165 -4.456 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.332 0.071 -4.877 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.565 0.087 -3.271 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.199 -0.684 -4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.002 0.620 -3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.850 0.938 -4.687 1.00 0.00 H new ATOM 101 N PHE A 61 1.743 3.224 -5.293 1.00 0.00 N ATOM 102 CA PHE A 61 2.804 3.617 -6.172 1.00 0.00 C ATOM 103 C PHE A 61 3.840 2.545 -6.091 1.00 0.00 C ATOM 104 O PHE A 61 4.114 2.012 -5.013 1.00 0.00 O ATOM 105 CB PHE A 61 3.467 4.922 -5.704 1.00 0.00 C ATOM 106 CG PHE A 61 2.597 6.066 -6.112 1.00 0.00 C ATOM 107 CD1 PHE A 61 1.344 6.262 -5.515 1.00 0.00 C ATOM 108 CD2 PHE A 61 3.068 7.053 -6.964 1.00 0.00 C ATOM 109 CE1 PHE A 61 0.617 7.414 -5.745 1.00 0.00 C ATOM 110 CE2 PHE A 61 2.343 8.215 -7.181 1.00 0.00 C ATOM 111 CZ PHE A 61 1.125 8.401 -6.563 1.00 0.00 C ATOM 0 H PHE A 61 1.913 3.424 -4.307 1.00 0.00 H new ATOM 0 HA PHE A 61 2.407 3.765 -7.176 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.599 4.913 -4.622 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.458 5.023 -6.146 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.940 5.500 -4.865 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.014 6.915 -7.466 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.351 7.542 -5.283 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.735 8.978 -7.837 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.571 9.315 -6.719 1.00 0.00 H new ATOM 121 N LEU A 62 4.474 2.190 -7.230 1.00 0.00 N ATOM 122 CA LEU A 62 5.523 1.215 -7.161 1.00 0.00 C ATOM 123 C LEU A 62 6.785 1.960 -6.809 1.00 0.00 C ATOM 124 O LEU A 62 6.811 3.192 -6.809 1.00 0.00 O ATOM 125 CB LEU A 62 5.689 0.373 -8.434 1.00 0.00 C ATOM 126 CG LEU A 62 4.656 -0.754 -8.568 1.00 0.00 C ATOM 127 CD1 LEU A 62 5.035 -2.024 -7.799 1.00 0.00 C ATOM 128 CD2 LEU A 62 3.228 -0.331 -8.190 1.00 0.00 C ATOM 0 H LEU A 62 4.272 2.559 -8.159 1.00 0.00 H new ATOM 0 HA LEU A 62 5.270 0.476 -6.401 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.615 1.026 -9.303 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.689 -0.060 -8.445 1.00 0.00 H new ATOM 0 HG LEU A 62 4.667 -0.985 -9.633 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.261 -2.778 -7.938 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.985 -2.406 -8.173 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.129 -1.792 -6.738 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.554 -1.179 -8.309 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.210 0.004 -7.153 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.906 0.483 -8.839 1.00 0.00 H new ATOM 140 N PRO A 63 7.805 1.173 -6.484 1.00 0.00 N ATOM 141 CA PRO A 63 8.888 1.921 -5.879 1.00 0.00 C ATOM 142 C PRO A 63 9.639 2.540 -7.027 1.00 0.00 C ATOM 143 O PRO A 63 10.493 1.905 -7.648 1.00 0.00 O ATOM 144 CB PRO A 63 9.752 0.890 -5.180 1.00 0.00 C ATOM 145 CG PRO A 63 8.946 -0.409 -5.161 1.00 0.00 C ATOM 146 CD PRO A 63 7.589 -0.068 -5.764 1.00 0.00 C ATOM 0 HA PRO A 63 8.573 2.690 -5.174 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.696 0.753 -5.707 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.996 1.210 -4.167 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.446 -1.187 -5.738 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.838 -0.787 -4.144 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.243 -0.857 -6.431 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.831 0.050 -4.990 1.00 0.00 H new ATOM 154 N ASN A 64 9.345 3.834 -7.291 1.00 0.00 N ATOM 155 CA ASN A 64 10.091 4.606 -8.246 1.00 0.00 C ATOM 156 C ASN A 64 9.637 4.210 -9.626 1.00 0.00 C ATOM 157 O ASN A 64 10.289 4.523 -10.622 1.00 0.00 O ATOM 158 CB ASN A 64 11.626 4.499 -8.109 1.00 0.00 C ATOM 159 CG ASN A 64 12.240 5.853 -8.443 1.00 0.00 C ATOM 160 OD1 ASN A 64 12.617 6.616 -7.554 1.00 0.00 O ATOM 161 ND2 ASN A 64 12.353 6.163 -9.761 1.00 0.00 N ATOM 0 H ASN A 64 8.587 4.346 -6.840 1.00 0.00 H new ATOM 0 HA ASN A 64 9.882 5.657 -8.049 1.00 0.00 H new ATOM 0 HB2 ASN A 64 11.895 4.201 -7.096 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.013 3.732 -8.780 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.762 7.054 -10.042 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.029 5.504 -10.469 1.00 0.00 H new ATOM 168 N LYS A 65 8.465 3.551 -9.717 1.00 0.00 N ATOM 169 CA LYS A 65 7.984 3.099 -10.989 1.00 0.00 C ATOM 170 C LYS A 65 6.554 3.549 -11.125 1.00 0.00 C ATOM 171 O LYS A 65 6.278 4.679 -11.526 1.00 0.00 O ATOM 172 CB LYS A 65 8.057 1.567 -11.170 1.00 0.00 C ATOM 173 CG LYS A 65 9.347 0.939 -10.629 1.00 0.00 C ATOM 174 CD LYS A 65 10.575 1.205 -11.506 1.00 0.00 C ATOM 175 CE LYS A 65 11.845 1.519 -10.708 1.00 0.00 C ATOM 176 NZ LYS A 65 12.026 0.541 -9.639 1.00 0.00 N ATOM 0 H LYS A 65 7.860 3.334 -8.925 1.00 0.00 H new ATOM 0 HA LYS A 65 8.626 3.527 -11.759 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.204 1.110 -10.668 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.967 1.331 -12.230 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.536 1.325 -9.627 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.205 -0.138 -10.535 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.758 0.333 -12.134 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.360 2.040 -12.173 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.711 1.509 -11.370 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.779 2.522 -10.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.040 0.433 -9.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.533 0.867 -8.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.634 -0.375 -9.936 1.00 0.00 H new ATOM 190 N GLN A 66 5.602 2.655 -10.790 1.00 0.00 N ATOM 191 CA GLN A 66 4.262 2.801 -11.264 1.00 0.00 C ATOM 192 C GLN A 66 3.407 3.353 -10.175 1.00 0.00 C ATOM 193 O GLN A 66 3.893 3.803 -9.145 1.00 0.00 O ATOM 194 CB GLN A 66 3.711 1.434 -11.684 1.00 0.00 C ATOM 195 CG GLN A 66 3.949 1.104 -13.160 1.00 0.00 C ATOM 196 CD GLN A 66 5.438 0.860 -13.371 1.00 0.00 C ATOM 197 OE1 GLN A 66 6.163 1.735 -13.840 1.00 0.00 O ATOM 198 NE2 GLN A 66 5.915 -0.364 -13.017 1.00 0.00 N ATOM 0 H GLN A 66 5.760 1.840 -10.197 1.00 0.00 H new ATOM 0 HA GLN A 66 4.257 3.477 -12.119 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.172 0.661 -11.069 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.640 1.406 -11.482 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.377 0.222 -13.447 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.607 1.925 -13.791 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.283 -1.065 -12.631 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.904 -0.580 -13.138 1.00 0.00 H new ATOM 207 N ARG A 67 2.103 3.476 -10.491 1.00 0.00 N ATOM 208 CA ARG A 67 1.149 3.972 -9.552 1.00 0.00 C ATOM 209 C ARG A 67 -0.196 3.525 -10.027 1.00 0.00 C ATOM 210 O ARG A 67 -0.339 3.079 -11.166 1.00 0.00 O ATOM 211 CB ARG A 67 1.143 5.496 -9.422 1.00 0.00 C ATOM 212 CG ARG A 67 1.177 6.232 -10.766 1.00 0.00 C ATOM 213 CD ARG A 67 2.343 7.218 -10.885 1.00 0.00 C ATOM 214 NE ARG A 67 2.384 7.706 -12.296 1.00 0.00 N ATOM 215 CZ ARG A 67 2.981 6.966 -13.271 1.00 0.00 C ATOM 216 NH1 ARG A 67 3.798 5.940 -12.959 1.00 0.00 N ATOM 217 NH2 ARG A 67 2.919 7.372 -14.560 1.00 0.00 N ATOM 0 H ARG A 67 1.711 3.230 -11.400 1.00 0.00 H new ATOM 0 HA ARG A 67 1.409 3.585 -8.567 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.252 5.801 -8.874 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.003 5.804 -8.828 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.244 5.501 -11.572 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.239 6.770 -10.902 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.210 8.052 -10.196 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.283 6.733 -10.621 1.00 0.00 H new ATOM 0 HE ARG A 67 1.960 8.603 -12.532 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.976 5.709 -11.982 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.238 5.395 -13.700 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.425 8.232 -14.801 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.366 6.819 -15.291 1.00 0.00 H new ATOM 231 N THR A 68 -1.195 3.589 -9.127 1.00 0.00 N ATOM 232 CA THR A 68 -2.524 3.169 -9.465 1.00 0.00 C ATOM 233 C THR A 68 -3.375 3.424 -8.258 1.00 0.00 C ATOM 234 O THR A 68 -2.879 3.900 -7.237 1.00 0.00 O ATOM 235 CB THR A 68 -2.640 1.686 -9.871 1.00 0.00 C ATOM 236 OG1 THR A 68 -3.934 1.414 -10.396 1.00 0.00 O ATOM 237 CG2 THR A 68 -2.299 0.695 -8.748 1.00 0.00 C ATOM 0 H THR A 68 -1.086 3.929 -8.171 1.00 0.00 H new ATOM 0 HA THR A 68 -2.844 3.732 -10.342 1.00 0.00 H new ATOM 0 HB THR A 68 -1.885 1.531 -10.642 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.992 0.469 -10.651 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.406 -0.325 -9.118 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.272 0.856 -8.420 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.977 0.849 -7.908 1.00 0.00 H new ATOM 245 N VAL A 69 -4.680 3.106 -8.359 1.00 0.00 N ATOM 246 CA VAL A 69 -5.560 3.258 -7.237 1.00 0.00 C ATOM 247 C VAL A 69 -6.181 1.920 -6.989 1.00 0.00 C ATOM 248 O VAL A 69 -6.470 1.175 -7.924 1.00 0.00 O ATOM 249 CB VAL A 69 -6.685 4.279 -7.463 1.00 0.00 C ATOM 250 CG1 VAL A 69 -7.346 4.755 -6.164 1.00 0.00 C ATOM 251 CG2 VAL A 69 -6.242 5.502 -8.284 1.00 0.00 C ATOM 0 H VAL A 69 -5.122 2.748 -9.205 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.972 3.627 -6.397 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.425 3.726 -8.041 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.131 5.474 -6.398 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.779 3.902 -5.642 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.598 5.228 -5.527 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.084 6.183 -8.406 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.433 6.015 -7.764 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.894 5.176 -9.264 1.00 0.00 H new ATOM 261 N VAL A 70 -6.408 1.592 -5.704 1.00 0.00 N ATOM 262 CA VAL A 70 -6.960 0.312 -5.370 1.00 0.00 C ATOM 263 C VAL A 70 -8.096 0.547 -4.426 1.00 0.00 C ATOM 264 O VAL A 70 -8.178 1.592 -3.779 1.00 0.00 O ATOM 265 CB VAL A 70 -5.946 -0.626 -4.701 1.00 0.00 C ATOM 266 CG1 VAL A 70 -4.832 -1.082 -5.647 1.00 0.00 C ATOM 267 CG2 VAL A 70 -5.307 -0.041 -3.430 1.00 0.00 C ATOM 0 H VAL A 70 -6.214 2.199 -4.908 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.277 -0.174 -6.293 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.547 -1.490 -4.418 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.149 -1.742 -5.113 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.268 -1.616 -6.491 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.285 -0.212 -6.011 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.602 -0.760 -3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.781 0.881 -3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.085 0.172 -2.696 1.00 0.00 H new ATOM 277 N ASN A 71 -8.993 -0.453 -4.319 1.00 0.00 N ATOM 278 CA ASN A 71 -10.092 -0.364 -3.403 1.00 0.00 C ATOM 279 C ASN A 71 -9.809 -1.337 -2.302 1.00 0.00 C ATOM 280 O ASN A 71 -9.120 -2.334 -2.512 1.00 0.00 O ATOM 281 CB ASN A 71 -11.434 -0.769 -4.041 1.00 0.00 C ATOM 282 CG ASN A 71 -11.880 0.345 -4.979 1.00 0.00 C ATOM 283 OD1 ASN A 71 -12.789 1.112 -4.665 1.00 0.00 O ATOM 284 ND2 ASN A 71 -11.272 0.404 -6.194 1.00 0.00 N ATOM 0 H ASN A 71 -8.959 -1.316 -4.861 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.181 0.669 -3.067 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.325 -1.705 -4.589 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.185 -0.937 -3.269 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.567 1.100 -6.879 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.521 -0.248 -6.421 1.00 0.00 H new ATOM 291 N VAL A 72 -10.392 -1.094 -1.111 1.00 0.00 N ATOM 292 CA VAL A 72 -10.127 -1.945 0.016 1.00 0.00 C ATOM 293 C VAL A 72 -11.289 -2.878 0.162 1.00 0.00 C ATOM 294 O VAL A 72 -11.309 -3.744 1.035 1.00 0.00 O ATOM 295 CB VAL A 72 -9.894 -1.155 1.313 1.00 0.00 C ATOM 296 CG1 VAL A 72 -9.704 -2.034 2.556 1.00 0.00 C ATOM 297 CG2 VAL A 72 -8.643 -0.281 1.244 1.00 0.00 C ATOM 0 H VAL A 72 -11.035 -0.324 -0.928 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.204 -2.497 -0.164 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.804 -0.562 1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.545 -1.401 3.429 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -10.593 -2.646 2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.838 -2.681 2.415 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.523 0.257 2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.769 -0.909 1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.743 0.434 0.427 1.00 0.00 H new ATOM 307 N ARG A 73 -12.266 -2.759 -0.756 1.00 0.00 N ATOM 308 CA ARG A 73 -13.351 -3.699 -0.821 1.00 0.00 C ATOM 309 C ARG A 73 -14.162 -3.560 0.441 1.00 0.00 C ATOM 310 O ARG A 73 -14.606 -2.465 0.783 1.00 0.00 O ATOM 311 CB ARG A 73 -12.899 -5.151 -1.063 1.00 0.00 C ATOM 312 CG ARG A 73 -13.990 -6.046 -1.666 1.00 0.00 C ATOM 313 CD ARG A 73 -14.265 -5.763 -3.148 1.00 0.00 C ATOM 314 NE ARG A 73 -13.070 -6.212 -3.922 1.00 0.00 N ATOM 315 CZ ARG A 73 -12.926 -5.874 -5.234 1.00 0.00 C ATOM 316 NH1 ARG A 73 -13.774 -5.005 -5.819 1.00 0.00 N ATOM 317 NH2 ARG A 73 -11.871 -6.340 -5.939 1.00 0.00 N ATOM 0 H ARG A 73 -12.308 -2.015 -1.453 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.963 -3.463 -1.692 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.036 -5.147 -1.729 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.570 -5.582 -0.117 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.696 -7.090 -1.552 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.913 -5.911 -1.101 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.158 -6.293 -3.480 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -14.448 -4.700 -3.308 1.00 0.00 H new ATOM 0 HE ARG A 73 -12.355 -6.777 -3.464 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -14.534 -4.592 -5.279 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.655 -4.760 -6.802 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.184 -6.944 -5.489 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -11.762 -6.087 -6.921 1.00 0.00 H new ATOM 331 N ASN A 74 -14.356 -4.679 1.167 1.00 0.00 N ATOM 332 CA ASN A 74 -15.155 -4.651 2.359 1.00 0.00 C ATOM 333 C ASN A 74 -14.232 -4.844 3.526 1.00 0.00 C ATOM 334 O ASN A 74 -14.673 -4.925 4.673 1.00 0.00 O ATOM 335 CB ASN A 74 -16.200 -5.779 2.374 1.00 0.00 C ATOM 336 CG ASN A 74 -17.505 -5.223 2.933 1.00 0.00 C ATOM 337 OD1 ASN A 74 -18.494 -5.083 2.214 1.00 0.00 O ATOM 338 ND2 ASN A 74 -17.513 -4.904 4.253 1.00 0.00 N ATOM 0 H ASN A 74 -13.966 -5.592 0.934 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.686 -3.700 2.405 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -16.354 -6.166 1.367 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.850 -6.611 2.985 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -18.360 -4.533 4.683 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.672 -5.035 4.814 1.00 0.00 H new ATOM 345 N GLY A 75 -12.919 -4.927 3.251 1.00 0.00 N ATOM 346 CA GLY A 75 -11.959 -5.034 4.315 1.00 0.00 C ATOM 347 C GLY A 75 -10.786 -5.799 3.796 1.00 0.00 C ATOM 348 O GLY A 75 -10.539 -6.932 4.201 1.00 0.00 O ATOM 0 H GLY A 75 -12.522 -4.921 2.311 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.651 -4.044 4.652 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.396 -5.542 5.175 1.00 0.00 H new ATOM 352 N MET A 76 -9.987 -5.159 2.921 1.00 0.00 N ATOM 353 CA MET A 76 -8.804 -5.786 2.417 1.00 0.00 C ATOM 354 C MET A 76 -7.665 -5.403 3.305 1.00 0.00 C ATOM 355 O MET A 76 -7.646 -4.330 3.910 1.00 0.00 O ATOM 356 CB MET A 76 -8.490 -5.341 0.988 1.00 0.00 C ATOM 357 CG MET A 76 -9.294 -6.116 -0.056 1.00 0.00 C ATOM 358 SD MET A 76 -8.769 -5.631 -1.730 1.00 0.00 S ATOM 359 CE MET A 76 -9.623 -6.919 -2.693 1.00 0.00 C ATOM 0 H MET A 76 -10.158 -4.218 2.566 1.00 0.00 H new ATOM 0 HA MET A 76 -8.958 -6.865 2.404 1.00 0.00 H new ATOM 0 HB2 MET A 76 -8.701 -4.276 0.888 1.00 0.00 H new ATOM 0 HB3 MET A 76 -7.426 -5.474 0.795 1.00 0.00 H new ATOM 0 HG2 MET A 76 -9.150 -7.187 0.083 1.00 0.00 H new ATOM 0 HG3 MET A 76 -10.358 -5.918 0.072 1.00 0.00 H new ATOM 0 HE1 MET A 76 -8.888 -7.527 -3.220 1.00 0.00 H new ATOM 0 HE2 MET A 76 -10.202 -7.552 -2.021 1.00 0.00 H new ATOM 0 HE3 MET A 76 -10.291 -6.450 -3.415 1.00 0.00 H new ATOM 369 N SER A 77 -6.651 -6.282 3.354 1.00 0.00 N ATOM 370 CA SER A 77 -5.485 -6.029 4.147 1.00 0.00 C ATOM 371 C SER A 77 -4.415 -5.631 3.214 1.00 0.00 C ATOM 372 O SER A 77 -4.390 -6.141 2.120 1.00 0.00 O ATOM 373 CB SER A 77 -4.951 -7.309 4.770 1.00 0.00 C ATOM 374 OG SER A 77 -4.590 -7.084 6.125 1.00 0.00 O ATOM 0 H SER A 77 -6.635 -7.167 2.847 1.00 0.00 H new ATOM 0 HA SER A 77 -5.743 -5.294 4.909 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.707 -8.092 4.713 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.085 -7.661 4.209 1.00 0.00 H new ATOM 0 HG SER A 77 -5.173 -7.610 6.711 1.00 0.00 H new ATOM 380 N LEU A 78 -3.326 -5.072 3.775 1.00 0.00 N ATOM 381 CA LEU A 78 -2.228 -4.577 2.994 1.00 0.00 C ATOM 382 C LEU A 78 -1.799 -5.638 2.022 1.00 0.00 C ATOM 383 O LEU A 78 -1.794 -5.410 0.821 1.00 0.00 O ATOM 384 CB LEU A 78 -1.059 -4.240 3.916 1.00 0.00 C ATOM 385 CG LEU A 78 -0.968 -2.758 4.257 1.00 0.00 C ATOM 386 CD1 LEU A 78 -0.671 -1.890 3.073 1.00 0.00 C ATOM 387 CD2 LEU A 78 -2.300 -2.127 4.615 1.00 0.00 C ATOM 0 H LEU A 78 -3.204 -4.961 4.782 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.537 -3.682 2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.156 -4.813 4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.129 -4.554 3.442 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.217 -2.781 5.047 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.621 -0.848 3.389 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.284 -2.184 2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.460 -2.006 2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.153 -1.072 4.845 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.986 -2.223 3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.720 -2.633 5.484 1.00 0.00 H new ATOM 399 N HIS A 79 -1.531 -6.851 2.534 1.00 0.00 N ATOM 400 CA HIS A 79 -1.031 -7.921 1.716 1.00 0.00 C ATOM 401 C HIS A 79 -2.053 -8.225 0.657 1.00 0.00 C ATOM 402 O HIS A 79 -1.772 -8.063 -0.511 1.00 0.00 O ATOM 403 CB HIS A 79 -0.814 -9.198 2.541 1.00 0.00 C ATOM 404 CG HIS A 79 0.629 -9.487 2.837 1.00 0.00 C ATOM 405 ND1 HIS A 79 1.008 -10.283 3.880 1.00 0.00 N ATOM 406 CD2 HIS A 79 1.760 -9.148 2.175 1.00 0.00 C ATOM 407 CE1 HIS A 79 2.328 -10.356 3.894 1.00 0.00 C ATOM 408 NE2 HIS A 79 2.806 -9.727 2.834 1.00 0.00 N ATOM 0 H HIS A 79 -1.659 -7.096 3.516 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.079 -7.611 1.285 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.358 -9.109 3.481 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.242 -10.044 2.004 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.823 -8.533 1.289 1.00 0.00 H new ATOM 0 HE1 HIS A 79 2.921 -10.850 4.650 1.00 0.00 H new ATOM 0 HE2 HIS A 79 3.787 -9.682 2.557 1.00 0.00 H new ATOM 417 N ASP A 80 -3.299 -8.545 1.065 1.00 0.00 N ATOM 418 CA ASP A 80 -4.293 -9.021 0.137 1.00 0.00 C ATOM 419 C ASP A 80 -4.688 -7.883 -0.770 1.00 0.00 C ATOM 420 O ASP A 80 -5.174 -8.097 -1.879 1.00 0.00 O ATOM 421 CB ASP A 80 -5.570 -9.445 0.881 1.00 0.00 C ATOM 422 CG ASP A 80 -5.209 -10.566 1.843 1.00 0.00 C ATOM 423 OD1 ASP A 80 -4.602 -10.248 2.904 1.00 0.00 O ATOM 424 OD2 ASP A 80 -5.545 -11.739 1.538 1.00 0.00 O ATOM 0 H ASP A 80 -3.620 -8.476 2.031 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.874 -9.864 -0.412 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.992 -8.599 1.424 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.328 -9.780 0.174 1.00 0.00 H new ATOM 429 N CYS A 81 -4.470 -6.641 -0.306 1.00 0.00 N ATOM 430 CA CYS A 81 -4.984 -5.486 -0.981 1.00 0.00 C ATOM 431 C CYS A 81 -3.945 -5.037 -1.974 1.00 0.00 C ATOM 432 O CYS A 81 -4.250 -4.372 -2.962 1.00 0.00 O ATOM 433 CB CYS A 81 -5.227 -4.376 0.057 1.00 0.00 C ATOM 434 SG CYS A 81 -6.344 -3.110 -0.635 1.00 0.00 S ATOM 0 H CYS A 81 -3.937 -6.434 0.538 1.00 0.00 H new ATOM 0 HA CYS A 81 -5.920 -5.710 -1.492 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.662 -4.801 0.962 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.279 -3.920 0.343 1.00 0.00 H new ATOM 0 HG CYS A 81 -7.389 -3.688 -1.149 1.00 0.00 H new ATOM 440 N LEU A 82 -2.682 -5.438 -1.740 1.00 0.00 N ATOM 441 CA LEU A 82 -1.592 -5.023 -2.579 1.00 0.00 C ATOM 442 C LEU A 82 -1.280 -6.156 -3.471 1.00 0.00 C ATOM 443 O LEU A 82 -0.854 -5.977 -4.601 1.00 0.00 O ATOM 444 CB LEU A 82 -0.338 -4.846 -1.734 1.00 0.00 C ATOM 445 CG LEU A 82 -0.311 -3.544 -0.943 1.00 0.00 C ATOM 446 CD1 LEU A 82 0.781 -2.578 -1.408 1.00 0.00 C ATOM 447 CD2 LEU A 82 -1.638 -2.777 -0.960 1.00 0.00 C ATOM 0 H LEU A 82 -2.412 -6.050 -0.970 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.862 -4.105 -3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.256 -5.683 -1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.536 -4.884 -2.384 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.104 -3.881 0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.746 -1.671 -0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.757 -3.051 -1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.619 -2.323 -2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.537 -1.863 -0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.899 -2.524 -1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.423 -3.399 -0.529 1.00 0.00 H new ATOM 459 N MET A 83 -1.451 -7.363 -2.923 1.00 0.00 N ATOM 460 CA MET A 83 -1.260 -8.584 -3.644 1.00 0.00 C ATOM 461 C MET A 83 -2.241 -8.610 -4.772 1.00 0.00 C ATOM 462 O MET A 83 -2.141 -9.455 -5.644 1.00 0.00 O ATOM 463 CB MET A 83 -1.663 -9.679 -2.657 1.00 0.00 C ATOM 464 CG MET A 83 -1.929 -11.031 -3.301 1.00 0.00 C ATOM 465 SD MET A 83 -1.608 -12.356 -2.093 1.00 0.00 S ATOM 466 CE MET A 83 0.209 -12.268 -2.016 1.00 0.00 C ATOM 0 H MET A 83 -1.730 -7.500 -1.952 1.00 0.00 H new ATOM 0 HA MET A 83 -0.245 -8.699 -4.025 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.873 -9.792 -1.914 1.00 0.00 H new ATOM 0 HB3 MET A 83 -2.559 -9.360 -2.124 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.961 -11.083 -3.648 1.00 0.00 H new ATOM 0 HG3 MET A 83 -1.292 -11.160 -4.176 1.00 0.00 H new ATOM 0 HE1 MET A 83 0.611 -13.252 -1.774 1.00 0.00 H new ATOM 0 HE2 MET A 83 0.599 -11.944 -2.981 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.506 -11.555 -1.247 1.00 0.00 H new ATOM 476 N LYS A 84 -3.235 -7.711 -4.712 1.00 0.00 N ATOM 477 CA LYS A 84 -4.156 -7.544 -5.784 1.00 0.00 C ATOM 478 C LYS A 84 -3.559 -6.561 -6.762 1.00 0.00 C ATOM 479 O LYS A 84 -3.651 -6.752 -7.970 1.00 0.00 O ATOM 480 CB LYS A 84 -5.419 -7.036 -5.135 1.00 0.00 C ATOM 481 CG LYS A 84 -5.951 -5.735 -5.706 1.00 0.00 C ATOM 482 CD LYS A 84 -6.989 -5.128 -4.788 1.00 0.00 C ATOM 483 CE LYS A 84 -8.018 -4.272 -5.524 1.00 0.00 C ATOM 484 NZ LYS A 84 -9.180 -4.039 -4.672 1.00 0.00 N ATOM 0 H LYS A 84 -3.400 -7.097 -3.915 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.370 -8.454 -6.344 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -6.191 -7.800 -5.229 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.233 -6.899 -4.070 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.130 -5.033 -5.848 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.389 -5.916 -6.688 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -7.505 -5.927 -4.255 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.488 -4.517 -4.038 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.572 -3.320 -5.811 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.326 -4.770 -6.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.050 -4.201 -5.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.154 -4.692 -3.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.166 -3.058 -4.326 1.00 0.00 H new ATOM 498 N ALA A 85 -2.896 -5.504 -6.240 1.00 0.00 N ATOM 499 CA ALA A 85 -2.323 -4.485 -7.087 1.00 0.00 C ATOM 500 C ALA A 85 -1.196 -5.094 -7.856 1.00 0.00 C ATOM 501 O ALA A 85 -1.166 -5.043 -9.076 1.00 0.00 O ATOM 502 CB ALA A 85 -1.695 -3.448 -6.126 1.00 0.00 C ATOM 0 H ALA A 85 -2.756 -5.353 -5.241 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.064 -4.055 -7.760 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.241 -2.644 -6.705 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.469 -3.036 -5.479 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.932 -3.932 -5.516 1.00 0.00 H new ATOM 508 N LEU A 86 -0.254 -5.714 -7.128 1.00 0.00 N ATOM 509 CA LEU A 86 0.993 -6.140 -7.695 1.00 0.00 C ATOM 510 C LEU A 86 0.732 -7.375 -8.454 1.00 0.00 C ATOM 511 O LEU A 86 1.503 -7.750 -9.321 1.00 0.00 O ATOM 512 CB LEU A 86 1.898 -6.518 -6.543 1.00 0.00 C ATOM 513 CG LEU A 86 2.080 -5.366 -5.561 1.00 0.00 C ATOM 514 CD1 LEU A 86 2.099 -5.800 -4.128 1.00 0.00 C ATOM 515 CD2 LEU A 86 3.059 -4.307 -6.043 1.00 0.00 C ATOM 0 H LEU A 86 -0.354 -5.924 -6.135 1.00 0.00 H new ATOM 0 HA LEU A 86 1.432 -5.365 -8.323 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.480 -7.378 -6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.871 -6.822 -6.930 1.00 0.00 H new ATOM 0 HG LEU A 86 1.166 -4.772 -5.554 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.232 -4.929 -3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.157 -6.291 -3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.922 -6.496 -3.970 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.139 -3.518 -5.295 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.038 -4.760 -6.199 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.703 -3.882 -6.981 1.00 0.00 H new ATOM 527 N LYS A 87 -0.365 -8.048 -8.092 1.00 0.00 N ATOM 528 CA LYS A 87 -0.833 -9.178 -8.849 1.00 0.00 C ATOM 529 C LYS A 87 -1.028 -8.735 -10.271 1.00 0.00 C ATOM 530 O LYS A 87 -0.619 -9.421 -11.207 1.00 0.00 O ATOM 531 CB LYS A 87 -2.227 -9.591 -8.382 1.00 0.00 C ATOM 532 CG LYS A 87 -2.344 -11.074 -8.054 1.00 0.00 C ATOM 533 CD LYS A 87 -2.841 -11.913 -9.236 1.00 0.00 C ATOM 534 CE LYS A 87 -1.809 -12.918 -9.755 1.00 0.00 C ATOM 535 NZ LYS A 87 -0.635 -12.216 -10.269 1.00 0.00 N ATOM 0 H LYS A 87 -0.934 -7.818 -7.278 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.114 -9.990 -8.734 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.493 -9.010 -7.499 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.950 -9.341 -9.158 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.371 -11.447 -7.735 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.026 -11.201 -7.213 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.740 -12.451 -8.935 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.126 -11.246 -10.049 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.515 -13.595 -8.953 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.250 -13.529 -10.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -0.203 -12.775 -11.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.920 -11.287 -10.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.055 -12.086 -9.502 1.00 0.00 H new ATOM 549 N VAL A 88 -1.712 -7.586 -10.418 1.00 0.00 N ATOM 550 CA VAL A 88 -2.050 -7.041 -11.705 1.00 0.00 C ATOM 551 C VAL A 88 -0.773 -6.681 -12.413 1.00 0.00 C ATOM 552 O VAL A 88 -0.673 -6.786 -13.635 1.00 0.00 O ATOM 553 CB VAL A 88 -2.846 -5.739 -11.513 1.00 0.00 C ATOM 554 CG1 VAL A 88 -3.116 -4.962 -12.803 1.00 0.00 C ATOM 555 CG2 VAL A 88 -4.106 -5.903 -10.667 1.00 0.00 C ATOM 0 H VAL A 88 -2.038 -7.023 -9.633 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.633 -7.768 -12.270 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.167 -5.114 -10.933 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.682 -4.059 -12.572 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.169 -4.688 -13.267 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.690 -5.585 -13.489 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.612 -4.942 -10.578 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.773 -6.621 -11.143 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.834 -6.263 -9.675 1.00 0.00 H new ATOM 565 N ARG A 89 0.233 -6.228 -11.644 1.00 0.00 N ATOM 566 CA ARG A 89 1.383 -5.604 -12.224 1.00 0.00 C ATOM 567 C ARG A 89 2.389 -6.674 -12.530 1.00 0.00 C ATOM 568 O ARG A 89 3.171 -6.552 -13.471 1.00 0.00 O ATOM 569 CB ARG A 89 1.950 -4.610 -11.217 1.00 0.00 C ATOM 570 CG ARG A 89 0.864 -3.732 -10.589 1.00 0.00 C ATOM 571 CD ARG A 89 1.162 -2.237 -10.656 1.00 0.00 C ATOM 572 NE ARG A 89 0.606 -1.728 -11.946 1.00 0.00 N ATOM 573 CZ ARG A 89 0.346 -0.402 -12.115 1.00 0.00 C ATOM 574 NH1 ARG A 89 0.384 0.447 -11.070 1.00 0.00 N ATOM 575 NH2 ARG A 89 -0.089 0.054 -13.310 1.00 0.00 N ATOM 0 H ARG A 89 0.251 -6.293 -10.626 1.00 0.00 H new ATOM 0 HA ARG A 89 1.128 -5.074 -13.142 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.474 -5.153 -10.431 1.00 0.00 H new ATOM 0 HB3 ARG A 89 2.686 -3.976 -11.711 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.083 -3.927 -11.092 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.736 -4.020 -9.546 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.710 -1.717 -9.811 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.236 -2.057 -10.603 1.00 0.00 H new ATOM 0 HE ARG A 89 0.419 -2.380 -12.708 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.610 0.099 -10.138 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.187 1.438 -11.211 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.223 -0.595 -14.086 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.284 1.047 -13.437 1.00 0.00 H new ATOM 589 N GLY A 90 2.396 -7.742 -11.713 1.00 0.00 N ATOM 590 CA GLY A 90 3.285 -8.845 -11.941 1.00 0.00 C ATOM 591 C GLY A 90 4.386 -8.748 -10.934 1.00 0.00 C ATOM 592 O GLY A 90 5.554 -8.953 -11.257 1.00 0.00 O ATOM 0 H GLY A 90 1.791 -7.845 -10.898 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.755 -9.792 -11.840 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.687 -8.811 -12.954 1.00 0.00 H new ATOM 596 N LEU A 91 4.025 -8.464 -9.666 1.00 0.00 N ATOM 597 CA LEU A 91 5.022 -8.272 -8.655 1.00 0.00 C ATOM 598 C LEU A 91 4.572 -9.008 -7.430 1.00 0.00 C ATOM 599 O LEU A 91 3.461 -9.534 -7.373 1.00 0.00 O ATOM 600 CB LEU A 91 5.193 -6.791 -8.308 1.00 0.00 C ATOM 601 CG LEU A 91 6.051 -6.033 -9.327 1.00 0.00 C ATOM 602 CD1 LEU A 91 5.253 -5.079 -10.232 1.00 0.00 C ATOM 603 CD2 LEU A 91 7.281 -5.362 -8.706 1.00 0.00 C ATOM 0 H LEU A 91 3.061 -8.369 -9.345 1.00 0.00 H new ATOM 0 HA LEU A 91 5.979 -8.642 -9.022 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.211 -6.322 -8.247 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.649 -6.705 -7.322 1.00 0.00 H new ATOM 0 HG LEU A 91 6.431 -6.809 -9.991 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.932 -4.581 -10.924 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.512 -5.646 -10.795 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.749 -4.332 -9.619 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.843 -4.843 -9.482 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.961 -4.645 -7.949 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.914 -6.119 -8.244 1.00 0.00 H new ATOM 615 N GLN A 92 5.443 -9.035 -6.399 1.00 0.00 N ATOM 616 CA GLN A 92 5.131 -9.742 -5.190 1.00 0.00 C ATOM 617 C GLN A 92 5.209 -8.749 -4.059 1.00 0.00 C ATOM 618 O GLN A 92 5.897 -7.732 -4.153 1.00 0.00 O ATOM 619 CB GLN A 92 6.099 -10.904 -4.917 1.00 0.00 C ATOM 620 CG GLN A 92 7.578 -10.486 -4.894 1.00 0.00 C ATOM 621 CD GLN A 92 8.313 -11.376 -3.897 1.00 0.00 C ATOM 622 OE1 GLN A 92 8.296 -11.121 -2.693 1.00 0.00 O ATOM 623 NE2 GLN A 92 8.991 -12.458 -4.384 1.00 0.00 N ATOM 0 H GLN A 92 6.352 -8.573 -6.402 1.00 0.00 H new ATOM 0 HA GLN A 92 4.137 -10.179 -5.285 1.00 0.00 H new ATOM 0 HB2 GLN A 92 5.845 -11.359 -3.960 1.00 0.00 H new ATOM 0 HB3 GLN A 92 5.959 -11.669 -5.681 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.016 -10.586 -5.887 1.00 0.00 H new ATOM 0 HG3 GLN A 92 7.672 -9.438 -4.608 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.992 -12.651 -5.386 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.496 -13.073 -3.746 1.00 0.00 H new ATOM 632 N PRO A 93 4.535 -9.119 -2.975 1.00 0.00 N ATOM 633 CA PRO A 93 4.564 -8.082 -1.962 1.00 0.00 C ATOM 634 C PRO A 93 5.409 -8.643 -0.843 1.00 0.00 C ATOM 635 O PRO A 93 5.811 -7.909 0.056 1.00 0.00 O ATOM 636 CB PRO A 93 3.143 -7.981 -1.445 1.00 0.00 C ATOM 637 CG PRO A 93 2.437 -9.253 -1.892 1.00 0.00 C ATOM 638 CD PRO A 93 3.230 -9.750 -3.092 1.00 0.00 C ATOM 0 HA PRO A 93 4.938 -7.124 -2.322 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.130 -7.889 -0.359 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.645 -7.098 -1.846 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.423 -9.996 -1.095 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.400 -9.054 -2.161 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.316 -10.837 -3.084 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.742 -9.475 -4.027 1.00 0.00 H new ATOM 646 N GLU A 94 5.725 -9.958 -0.872 1.00 0.00 N ATOM 647 CA GLU A 94 6.224 -10.625 0.304 1.00 0.00 C ATOM 648 C GLU A 94 7.556 -10.031 0.687 1.00 0.00 C ATOM 649 O GLU A 94 7.863 -9.892 1.869 1.00 0.00 O ATOM 650 CB GLU A 94 6.412 -12.141 0.140 1.00 0.00 C ATOM 651 CG GLU A 94 5.093 -12.927 0.117 1.00 0.00 C ATOM 652 CD GLU A 94 4.734 -13.220 -1.333 1.00 0.00 C ATOM 653 OE1 GLU A 94 4.684 -12.250 -2.133 1.00 0.00 O ATOM 654 OE2 GLU A 94 4.507 -14.415 -1.656 1.00 0.00 O ATOM 0 H GLU A 94 5.637 -10.553 -1.696 1.00 0.00 H new ATOM 0 HA GLU A 94 5.466 -10.476 1.073 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.955 -12.333 -0.785 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.032 -12.512 0.956 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.195 -13.856 0.678 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.300 -12.352 0.595 1.00 0.00 H new ATOM 661 N CYS A 95 8.391 -9.671 -0.308 1.00 0.00 N ATOM 662 CA CYS A 95 9.739 -9.275 -0.010 1.00 0.00 C ATOM 663 C CYS A 95 9.795 -7.774 -0.006 1.00 0.00 C ATOM 664 O CYS A 95 10.869 -7.178 -0.086 1.00 0.00 O ATOM 665 CB CYS A 95 10.732 -9.761 -1.067 1.00 0.00 C ATOM 666 SG CYS A 95 10.899 -11.572 -0.961 1.00 0.00 S ATOM 0 H CYS A 95 8.143 -9.653 -1.297 1.00 0.00 H new ATOM 0 HA CYS A 95 10.010 -9.711 0.952 1.00 0.00 H new ATOM 0 HB2 CYS A 95 10.389 -9.475 -2.061 1.00 0.00 H new ATOM 0 HB3 CYS A 95 11.702 -9.287 -0.915 1.00 0.00 H new ATOM 0 HG CYS A 95 9.936 -12.136 -1.627 1.00 0.00 H new ATOM 672 N CYS A 96 8.631 -7.115 0.132 1.00 0.00 N ATOM 673 CA CYS A 96 8.593 -5.688 0.032 1.00 0.00 C ATOM 674 C CYS A 96 8.016 -5.155 1.311 1.00 0.00 C ATOM 675 O CYS A 96 7.499 -5.905 2.140 1.00 0.00 O ATOM 676 CB CYS A 96 7.693 -5.218 -1.113 1.00 0.00 C ATOM 677 SG CYS A 96 8.316 -5.876 -2.694 1.00 0.00 S ATOM 0 H CYS A 96 7.730 -7.560 0.310 1.00 0.00 H new ATOM 0 HA CYS A 96 9.605 -5.330 -0.154 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.670 -5.555 -0.946 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.669 -4.129 -1.146 1.00 0.00 H new ATOM 0 HG CYS A 96 7.377 -6.558 -3.280 1.00 0.00 H new ATOM 683 N ALA A 97 8.111 -3.822 1.489 1.00 0.00 N ATOM 684 CA ALA A 97 7.496 -3.172 2.609 1.00 0.00 C ATOM 685 C ALA A 97 6.595 -2.123 2.052 1.00 0.00 C ATOM 686 O ALA A 97 6.944 -1.430 1.100 1.00 0.00 O ATOM 687 CB ALA A 97 8.461 -2.465 3.579 1.00 0.00 C ATOM 0 H ALA A 97 8.612 -3.196 0.859 1.00 0.00 H new ATOM 0 HA ALA A 97 7.000 -3.952 3.186 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.893 -2.007 4.388 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.159 -3.193 3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.015 -1.694 3.044 1.00 0.00 H new ATOM 693 N VAL A 98 5.409 -1.973 2.665 1.00 0.00 N ATOM 694 CA VAL A 98 4.510 -0.923 2.283 1.00 0.00 C ATOM 695 C VAL A 98 4.846 0.266 3.105 1.00 0.00 C ATOM 696 O VAL A 98 5.465 0.161 4.166 1.00 0.00 O ATOM 697 CB VAL A 98 3.023 -1.188 2.567 1.00 0.00 C ATOM 698 CG1 VAL A 98 2.089 -0.788 1.419 1.00 0.00 C ATOM 699 CG2 VAL A 98 2.748 -2.585 3.051 1.00 0.00 C ATOM 0 H VAL A 98 5.071 -2.571 3.419 1.00 0.00 H new ATOM 0 HA VAL A 98 4.632 -0.812 1.206 1.00 0.00 H new ATOM 0 HB VAL A 98 2.786 -0.518 3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.058 -1.006 1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.193 0.279 1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.351 -1.352 0.524 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.680 -2.704 3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.070 -3.302 2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 98 3.295 -2.764 3.977 1.00 0.00 H new ATOM 709 N PHE A 99 4.280 1.405 2.693 1.00 0.00 N ATOM 710 CA PHE A 99 4.484 2.631 3.392 1.00 0.00 C ATOM 711 C PHE A 99 3.332 3.506 3.054 1.00 0.00 C ATOM 712 O PHE A 99 2.643 3.294 2.054 1.00 0.00 O ATOM 713 CB PHE A 99 5.710 3.405 2.906 1.00 0.00 C ATOM 714 CG PHE A 99 6.929 2.706 3.399 1.00 0.00 C ATOM 715 CD1 PHE A 99 7.514 1.697 2.654 1.00 0.00 C ATOM 716 CD2 PHE A 99 7.601 3.117 4.560 1.00 0.00 C ATOM 717 CE1 PHE A 99 8.792 1.271 2.935 1.00 0.00 C ATOM 718 CE2 PHE A 99 8.913 2.779 4.771 1.00 0.00 C ATOM 719 CZ PHE A 99 9.527 1.911 3.905 1.00 0.00 C ATOM 0 H PHE A 99 3.678 1.480 1.873 1.00 0.00 H new ATOM 0 HA PHE A 99 4.603 2.391 4.449 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.718 3.460 1.817 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.684 4.430 3.277 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.963 1.240 1.845 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.078 3.708 5.297 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.216 0.437 2.396 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.456 3.191 5.609 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.589 1.730 3.985 1.00 0.00 H new ATOM 729 N ARG A 100 3.157 4.561 3.860 1.00 0.00 N ATOM 730 CA ARG A 100 2.286 5.623 3.497 1.00 0.00 C ATOM 731 C ARG A 100 3.159 6.823 3.341 1.00 0.00 C ATOM 732 O ARG A 100 4.108 7.022 4.104 1.00 0.00 O ATOM 733 CB ARG A 100 1.200 5.789 4.544 1.00 0.00 C ATOM 734 CG ARG A 100 0.844 7.233 4.884 1.00 0.00 C ATOM 735 CD ARG A 100 -0.177 7.312 6.018 1.00 0.00 C ATOM 736 NE ARG A 100 -0.737 8.695 6.057 1.00 0.00 N ATOM 737 CZ ARG A 100 -0.073 9.710 6.673 1.00 0.00 C ATOM 738 NH1 ARG A 100 1.054 9.476 7.370 1.00 0.00 N ATOM 739 NH2 ARG A 100 -0.604 10.953 6.672 1.00 0.00 N ATOM 0 H ARG A 100 3.619 4.678 4.762 1.00 0.00 H new ATOM 0 HA ARG A 100 1.751 5.439 2.565 1.00 0.00 H new ATOM 0 HB2 ARG A 100 0.300 5.282 4.195 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.517 5.285 5.457 1.00 0.00 H new ATOM 0 HG2 ARG A 100 1.747 7.773 5.169 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.443 7.727 3.999 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.974 6.585 5.861 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.295 7.068 6.970 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.636 8.883 5.613 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.421 8.527 7.442 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.541 10.247 7.826 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.497 11.126 6.211 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.111 11.718 7.132 1.00 0.00 H new ATOM 753 N LEU A 101 2.882 7.615 2.298 1.00 0.00 N ATOM 754 CA LEU A 101 3.833 8.574 1.816 1.00 0.00 C ATOM 755 C LEU A 101 3.883 9.706 2.789 1.00 0.00 C ATOM 756 O LEU A 101 3.075 9.802 3.713 1.00 0.00 O ATOM 757 CB LEU A 101 3.415 9.162 0.458 1.00 0.00 C ATOM 758 CG LEU A 101 3.476 8.152 -0.690 1.00 0.00 C ATOM 759 CD1 LEU A 101 3.144 8.767 -2.055 1.00 0.00 C ATOM 760 CD2 LEU A 101 4.809 7.408 -0.764 1.00 0.00 C ATOM 0 H LEU A 101 2.001 7.596 1.784 1.00 0.00 H new ATOM 0 HA LEU A 101 4.794 8.071 1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.399 9.550 0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.062 10.007 0.222 1.00 0.00 H new ATOM 0 HG LEU A 101 2.698 7.427 -0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.205 7.998 -2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.135 9.179 -2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.855 9.562 -2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.789 6.707 -1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.618 8.124 -0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.973 6.862 0.165 1.00 0.00 H new ATOM 772 N LEU A 102 4.839 10.624 2.561 1.00 0.00 N ATOM 773 CA LEU A 102 5.076 11.686 3.478 1.00 0.00 C ATOM 774 C LEU A 102 4.033 12.740 3.270 1.00 0.00 C ATOM 775 O LEU A 102 4.172 13.651 2.457 1.00 0.00 O ATOM 776 CB LEU A 102 6.509 12.220 3.433 1.00 0.00 C ATOM 777 CG LEU A 102 6.886 12.950 2.138 1.00 0.00 C ATOM 778 CD1 LEU A 102 8.369 13.330 2.090 1.00 0.00 C ATOM 779 CD2 LEU A 102 6.535 12.174 0.867 1.00 0.00 C ATOM 0 H LEU A 102 5.446 10.628 1.741 1.00 0.00 H new ATOM 0 HA LEU A 102 4.984 11.303 4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 102 6.654 12.901 4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.197 11.386 3.576 1.00 0.00 H new ATOM 0 HG LEU A 102 6.279 13.855 2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.583 13.844 1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 102 8.603 13.988 2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 102 8.978 12.428 2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 102 6.832 12.754 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 102 7.063 11.220 0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 102 5.460 11.994 0.836 1.00 0.00 H new ATOM 791 N HIS A 103 2.937 12.634 4.042 1.00 0.00 N ATOM 792 CA HIS A 103 1.958 13.677 4.072 1.00 0.00 C ATOM 793 C HIS A 103 2.253 14.514 5.282 1.00 0.00 C ATOM 794 O HIS A 103 1.740 15.621 5.428 1.00 0.00 O ATOM 795 CB HIS A 103 0.522 13.142 4.158 1.00 0.00 C ATOM 796 CG HIS A 103 0.093 12.410 2.918 1.00 0.00 C ATOM 797 ND1 HIS A 103 -0.875 11.439 2.937 1.00 0.00 N ATOM 798 CD2 HIS A 103 0.377 12.649 1.617 1.00 0.00 C ATOM 799 CE1 HIS A 103 -1.162 11.106 1.689 1.00 0.00 C ATOM 800 NE2 HIS A 103 -0.416 11.822 0.868 1.00 0.00 N ATOM 0 H HIS A 103 2.729 11.835 4.640 1.00 0.00 H new ATOM 0 HA HIS A 103 2.018 14.249 3.146 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.440 12.473 5.015 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.160 13.974 4.336 1.00 0.00 H new ATOM 0 HD2 HIS A 103 1.096 13.361 1.239 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -1.890 10.367 1.390 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -0.428 11.768 -0.150 1.00 0.00 H new ATOM 809 N GLU A 104 3.138 14.006 6.169 1.00 0.00 N ATOM 810 CA GLU A 104 3.572 14.790 7.289 1.00 0.00 C ATOM 811 C GLU A 104 4.887 14.232 7.769 1.00 0.00 C ATOM 812 O GLU A 104 5.213 14.300 8.953 1.00 0.00 O ATOM 813 CB GLU A 104 2.555 14.968 8.428 1.00 0.00 C ATOM 814 CG GLU A 104 2.344 13.721 9.297 1.00 0.00 C ATOM 815 CD GLU A 104 1.673 12.645 8.455 1.00 0.00 C ATOM 816 OE1 GLU A 104 0.574 12.900 7.892 1.00 0.00 O ATOM 817 OE2 GLU A 104 2.227 11.514 8.385 1.00 0.00 O ATOM 0 H GLU A 104 3.545 13.072 6.112 1.00 0.00 H new ATOM 0 HA GLU A 104 3.689 15.814 6.933 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.884 15.788 9.066 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.597 15.262 7.999 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.299 13.361 9.679 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.726 13.964 10.162 1.00 0.00 H new ATOM 824 N HIS A 105 5.705 13.697 6.838 1.00 0.00 N ATOM 825 CA HIS A 105 7.039 13.291 7.189 1.00 0.00 C ATOM 826 C HIS A 105 7.968 14.049 6.295 1.00 0.00 C ATOM 827 O HIS A 105 7.539 14.731 5.366 1.00 0.00 O ATOM 828 CB HIS A 105 7.359 11.784 7.040 1.00 0.00 C ATOM 829 CG HIS A 105 6.153 10.929 6.788 1.00 0.00 C ATOM 830 ND1 HIS A 105 5.080 10.902 7.637 1.00 0.00 N ATOM 831 CD2 HIS A 105 5.964 9.939 5.893 1.00 0.00 C ATOM 832 CE1 HIS A 105 4.225 9.992 7.203 1.00 0.00 C ATOM 833 NE2 HIS A 105 4.732 9.400 6.135 1.00 0.00 N ATOM 0 H HIS A 105 5.451 13.547 5.861 1.00 0.00 H new ATOM 0 HA HIS A 105 7.152 13.500 8.253 1.00 0.00 H new ATOM 0 HB2 HIS A 105 8.064 11.652 6.219 1.00 0.00 H new ATOM 0 HB3 HIS A 105 7.856 11.437 7.946 1.00 0.00 H new ATOM 0 HD2 HIS A 105 6.658 9.629 5.126 1.00 0.00 H new ATOM 0 HE1 HIS A 105 3.267 9.768 7.649 1.00 0.00 H new ATOM 0 HE2 HIS A 105 4.281 8.668 5.587 1.00 0.00 H new ATOM 842 N LYS A 106 9.285 13.935 6.554 1.00 0.00 N ATOM 843 CA LYS A 106 10.239 14.583 5.713 1.00 0.00 C ATOM 844 C LYS A 106 11.216 13.540 5.276 1.00 0.00 C ATOM 845 O LYS A 106 11.842 12.870 6.096 1.00 0.00 O ATOM 846 CB LYS A 106 10.997 15.659 6.482 1.00 0.00 C ATOM 847 CG LYS A 106 12.060 16.379 5.653 1.00 0.00 C ATOM 848 CD LYS A 106 11.491 17.113 4.434 1.00 0.00 C ATOM 849 CE LYS A 106 12.470 18.107 3.803 1.00 0.00 C ATOM 850 NZ LYS A 106 13.616 17.396 3.243 1.00 0.00 N ATOM 0 H LYS A 106 9.681 13.405 7.330 1.00 0.00 H new ATOM 0 HA LYS A 106 9.731 15.052 4.870 1.00 0.00 H new ATOM 0 HB2 LYS A 106 10.285 16.393 6.858 1.00 0.00 H new ATOM 0 HB3 LYS A 106 11.474 15.204 7.350 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.581 17.096 6.288 1.00 0.00 H new ATOM 0 HG3 LYS A 106 12.801 15.653 5.317 1.00 0.00 H new ATOM 0 HD2 LYS A 106 11.197 16.379 3.683 1.00 0.00 H new ATOM 0 HD3 LYS A 106 10.587 17.645 4.730 1.00 0.00 H new ATOM 0 HE2 LYS A 106 11.968 18.677 3.021 1.00 0.00 H new ATOM 0 HE3 LYS A 106 12.807 18.823 4.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 14.258 18.076 2.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 14.122 16.899 4.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 13.286 16.706 2.538 1.00 0.00 H new ATOM 864 N GLY A 107 11.332 13.352 3.948 1.00 0.00 N ATOM 865 CA GLY A 107 12.375 12.526 3.411 1.00 0.00 C ATOM 866 C GLY A 107 11.825 11.147 3.211 1.00 0.00 C ATOM 867 O GLY A 107 11.816 10.631 2.096 1.00 0.00 O ATOM 0 H GLY A 107 10.712 13.766 3.251 1.00 0.00 H new ATOM 0 HA2 GLY A 107 12.733 12.933 2.465 1.00 0.00 H new ATOM 0 HA3 GLY A 107 13.227 12.500 4.090 1.00 0.00 H new ATOM 871 N LYS A 108 11.391 10.497 4.309 1.00 0.00 N ATOM 872 CA LYS A 108 11.140 9.096 4.265 1.00 0.00 C ATOM 873 C LYS A 108 9.669 8.895 4.082 1.00 0.00 C ATOM 874 O LYS A 108 8.957 9.743 3.547 1.00 0.00 O ATOM 875 CB LYS A 108 11.555 8.477 5.609 1.00 0.00 C ATOM 876 CG LYS A 108 12.578 7.349 5.477 1.00 0.00 C ATOM 877 CD LYS A 108 11.953 5.997 5.115 1.00 0.00 C ATOM 878 CE LYS A 108 12.907 4.814 5.304 1.00 0.00 C ATOM 879 NZ LYS A 108 12.338 3.615 4.696 1.00 0.00 N ATOM 0 H LYS A 108 11.217 10.938 5.212 1.00 0.00 H new ATOM 0 HA LYS A 108 11.698 8.632 3.452 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.969 9.258 6.246 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.667 8.093 6.112 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.308 7.619 4.714 1.00 0.00 H new ATOM 0 HG3 LYS A 108 13.121 7.250 6.417 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.066 5.840 5.728 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.622 6.025 4.077 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.873 5.039 4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 108 13.084 4.645 6.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 12.717 2.771 5.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 11.303 3.633 4.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 12.588 3.585 3.687 1.00 0.00 H new ATOM 893 N LYS A 109 9.200 7.727 4.542 1.00 0.00 N ATOM 894 CA LYS A 109 7.843 7.330 4.371 1.00 0.00 C ATOM 895 C LYS A 109 7.440 6.673 5.653 1.00 0.00 C ATOM 896 O LYS A 109 8.286 6.200 6.411 1.00 0.00 O ATOM 897 CB LYS A 109 7.755 6.306 3.240 1.00 0.00 C ATOM 898 CG LYS A 109 7.741 6.905 1.839 1.00 0.00 C ATOM 899 CD LYS A 109 7.221 5.921 0.797 1.00 0.00 C ATOM 900 CE LYS A 109 8.118 4.693 0.632 1.00 0.00 C ATOM 901 NZ LYS A 109 9.301 5.043 -0.150 1.00 0.00 N ATOM 0 H LYS A 109 9.773 7.046 5.041 1.00 0.00 H new ATOM 0 HA LYS A 109 7.203 8.179 4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 109 8.601 5.623 3.320 1.00 0.00 H new ATOM 0 HB3 LYS A 109 6.851 5.712 3.376 1.00 0.00 H new ATOM 0 HG2 LYS A 109 7.118 7.799 1.834 1.00 0.00 H new ATOM 0 HG3 LYS A 109 8.750 7.218 1.569 1.00 0.00 H new ATOM 0 HD2 LYS A 109 6.220 5.597 1.080 1.00 0.00 H new ATOM 0 HD3 LYS A 109 7.132 6.430 -0.163 1.00 0.00 H new ATOM 0 HE2 LYS A 109 8.416 4.316 1.610 1.00 0.00 H new ATOM 0 HE3 LYS A 109 7.567 3.893 0.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 9.800 4.175 -0.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 9.012 5.568 -1.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 9.934 5.636 0.424 1.00 0.00 H new ATOM 915 N ALA A 110 6.124 6.638 5.926 1.00 0.00 N ATOM 916 CA ALA A 110 5.648 6.049 7.148 1.00 0.00 C ATOM 917 C ALA A 110 5.394 4.611 6.860 1.00 0.00 C ATOM 918 O ALA A 110 4.610 4.271 5.984 1.00 0.00 O ATOM 919 CB ALA A 110 4.372 6.644 7.748 1.00 0.00 C ATOM 0 H ALA A 110 5.396 7.009 5.315 1.00 0.00 H new ATOM 0 HA ALA A 110 6.419 6.241 7.894 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.119 6.113 8.666 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.533 7.699 7.972 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.554 6.545 7.035 1.00 0.00 H new ATOM 925 N ARG A 111 6.076 3.716 7.596 1.00 0.00 N ATOM 926 CA ARG A 111 6.141 2.354 7.181 1.00 0.00 C ATOM 927 C ARG A 111 5.021 1.633 7.836 1.00 0.00 C ATOM 928 O ARG A 111 4.605 1.968 8.944 1.00 0.00 O ATOM 929 CB ARG A 111 7.476 1.746 7.587 1.00 0.00 C ATOM 930 CG ARG A 111 7.626 0.274 7.212 1.00 0.00 C ATOM 931 CD ARG A 111 7.509 -0.650 8.422 1.00 0.00 C ATOM 932 NE ARG A 111 8.588 -1.676 8.316 1.00 0.00 N ATOM 933 CZ ARG A 111 8.479 -2.709 7.436 1.00 0.00 C ATOM 934 NH1 ARG A 111 7.286 -3.025 6.889 1.00 0.00 N ATOM 935 NH2 ARG A 111 9.525 -3.545 7.246 1.00 0.00 N ATOM 0 H ARG A 111 6.572 3.931 8.461 1.00 0.00 H new ATOM 0 HA ARG A 111 6.058 2.278 6.097 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.280 2.314 7.118 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.599 1.850 8.665 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.863 0.009 6.481 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.593 0.121 6.733 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.610 -0.083 9.347 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.529 -1.127 8.446 1.00 0.00 H new ATOM 0 HE ARG A 111 9.415 -1.602 8.909 1.00 0.00 H new ATOM 0 HH11 ARG A 111 6.454 -2.488 7.134 1.00 0.00 H new ATOM 0 HH12 ARG A 111 7.216 -3.801 6.231 1.00 0.00 H new ATOM 0 HH21 ARG A 111 10.393 -3.401 7.762 1.00 0.00 H new ATOM 0 HH22 ARG A 111 9.446 -4.320 6.587 1.00 0.00 H new ATOM 949 N LEU A 112 4.515 0.610 7.131 1.00 0.00 N ATOM 950 CA LEU A 112 3.274 0.012 7.505 1.00 0.00 C ATOM 951 C LEU A 112 3.510 -1.444 7.705 1.00 0.00 C ATOM 952 O LEU A 112 4.617 -1.953 7.516 1.00 0.00 O ATOM 953 CB LEU A 112 2.221 0.136 6.401 1.00 0.00 C ATOM 954 CG LEU A 112 1.860 1.582 6.062 1.00 0.00 C ATOM 955 CD1 LEU A 112 1.069 1.715 4.759 1.00 0.00 C ATOM 956 CD2 LEU A 112 1.147 2.323 7.201 1.00 0.00 C ATOM 0 H LEU A 112 4.959 0.199 6.310 1.00 0.00 H new ATOM 0 HA LEU A 112 2.915 0.517 8.402 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.589 -0.359 5.502 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.319 -0.393 6.709 1.00 0.00 H new ATOM 0 HG LEU A 112 2.824 2.069 5.917 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.844 2.766 4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.660 1.321 3.933 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.138 1.153 4.839 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.923 3.342 6.887 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.219 1.806 7.447 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.792 2.347 8.079 1.00 0.00 H new ATOM 968 N ASP A 113 2.413 -2.149 8.018 1.00 0.00 N ATOM 969 CA ASP A 113 2.453 -3.567 8.218 1.00 0.00 C ATOM 970 C ASP A 113 1.882 -4.201 6.982 1.00 0.00 C ATOM 971 O ASP A 113 1.463 -3.514 6.059 1.00 0.00 O ATOM 972 CB ASP A 113 1.628 -3.990 9.449 1.00 0.00 C ATOM 973 CG ASP A 113 1.943 -5.445 9.774 1.00 0.00 C ATOM 974 OD1 ASP A 113 3.118 -5.733 10.120 1.00 0.00 O ATOM 975 OD2 ASP A 113 1.022 -6.287 9.595 1.00 0.00 O ATOM 0 H ASP A 113 1.488 -1.736 8.134 1.00 0.00 H new ATOM 0 HA ASP A 113 3.480 -3.886 8.396 1.00 0.00 H new ATOM 0 HB2 ASP A 113 1.867 -3.353 10.301 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.563 -3.870 9.249 1.00 0.00 H new ATOM 980 N TRP A 114 1.929 -5.549 6.909 1.00 0.00 N ATOM 981 CA TRP A 114 1.424 -6.245 5.777 1.00 0.00 C ATOM 982 C TRP A 114 0.010 -6.664 6.069 1.00 0.00 C ATOM 983 O TRP A 114 -0.679 -7.210 5.208 1.00 0.00 O ATOM 984 CB TRP A 114 2.325 -7.469 5.493 1.00 0.00 C ATOM 985 CG TRP A 114 3.317 -7.235 4.377 1.00 0.00 C ATOM 986 CD1 TRP A 114 4.616 -7.613 4.204 1.00 0.00 C ATOM 987 CD2 TRP A 114 2.941 -6.547 3.196 1.00 0.00 C ATOM 988 NE1 TRP A 114 5.073 -7.160 2.976 1.00 0.00 N ATOM 989 CE2 TRP A 114 4.041 -6.497 2.340 1.00 0.00 C ATOM 990 CE3 TRP A 114 1.704 -6.146 2.867 1.00 0.00 C ATOM 991 CZ2 TRP A 114 3.849 -5.888 1.107 1.00 0.00 C ATOM 992 CZ3 TRP A 114 1.513 -5.621 1.616 1.00 0.00 C ATOM 993 CH2 TRP A 114 2.560 -5.524 0.728 1.00 0.00 C ATOM 0 H TRP A 114 2.318 -6.148 7.637 1.00 0.00 H new ATOM 0 HA TRP A 114 1.427 -5.608 4.892 1.00 0.00 H new ATOM 0 HB2 TRP A 114 2.866 -7.732 6.402 1.00 0.00 H new ATOM 0 HB3 TRP A 114 1.697 -8.323 5.238 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.200 -8.179 4.915 1.00 0.00 H new ATOM 0 HE1 TRP A 114 6.013 -7.294 2.604 1.00 0.00 H new ATOM 0 HE3 TRP A 114 0.885 -6.234 3.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 4.687 -5.700 0.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.531 -5.280 1.324 1.00 0.00 H new ATOM 0 HH2 TRP A 114 2.380 -5.162 -0.273 1.00 0.00 H new ATOM 1004 N ASN A 115 -0.507 -6.287 7.252 1.00 0.00 N ATOM 1005 CA ASN A 115 -1.910 -6.416 7.513 1.00 0.00 C ATOM 1006 C ASN A 115 -2.337 -5.119 8.119 1.00 0.00 C ATOM 1007 O ASN A 115 -3.040 -5.076 9.127 1.00 0.00 O ATOM 1008 CB ASN A 115 -2.176 -7.480 8.574 1.00 0.00 C ATOM 1009 CG ASN A 115 -1.903 -8.846 7.964 1.00 0.00 C ATOM 1010 OD1 ASN A 115 -0.949 -9.530 8.334 1.00 0.00 O ATOM 1011 ND2 ASN A 115 -2.770 -9.263 7.014 1.00 0.00 N ATOM 0 H ASN A 115 0.038 -5.897 8.021 1.00 0.00 H new ATOM 0 HA ASN A 115 -2.430 -6.678 6.592 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -1.537 -7.318 9.442 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -3.207 -7.419 8.922 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -2.646 -10.176 6.575 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -3.548 -8.665 6.736 1.00 0.00 H new ATOM 1018 N THR A 116 -1.923 -4.002 7.493 1.00 0.00 N ATOM 1019 CA THR A 116 -1.862 -2.756 8.204 1.00 0.00 C ATOM 1020 C THR A 116 -3.231 -2.126 8.232 1.00 0.00 C ATOM 1021 O THR A 116 -3.409 -1.103 8.888 1.00 0.00 O ATOM 1022 CB THR A 116 -0.769 -1.783 7.732 1.00 0.00 C ATOM 1023 OG1 THR A 116 -0.086 -1.238 8.852 1.00 0.00 O ATOM 1024 CG2 THR A 116 -1.273 -0.579 6.926 1.00 0.00 C ATOM 0 H THR A 116 -1.635 -3.957 6.515 1.00 0.00 H new ATOM 0 HA THR A 116 -1.551 -2.994 9.221 1.00 0.00 H new ATOM 0 HB THR A 116 -0.136 -2.390 7.086 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.738 -0.887 9.494 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.428 0.047 6.640 1.00 0.00 H new ATOM 0 HG22 THR A 116 -1.785 -0.930 6.030 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.965 0.003 7.535 1.00 0.00 H new ATOM 1032 N ASP A 117 -4.186 -2.686 7.455 1.00 0.00 N ATOM 1033 CA ASP A 117 -5.510 -2.137 7.366 1.00 0.00 C ATOM 1034 C ASP A 117 -5.420 -0.900 6.525 1.00 0.00 C ATOM 1035 O ASP A 117 -5.381 0.206 7.051 1.00 0.00 O ATOM 1036 CB ASP A 117 -6.140 -1.858 8.738 1.00 0.00 C ATOM 1037 CG ASP A 117 -7.589 -1.440 8.535 1.00 0.00 C ATOM 1038 OD1 ASP A 117 -8.374 -2.273 8.008 1.00 0.00 O ATOM 1039 OD2 ASP A 117 -7.925 -0.280 8.886 1.00 0.00 O ATOM 0 H ASP A 117 -4.039 -3.521 6.888 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.177 -2.866 6.906 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.088 -2.748 9.365 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -5.589 -1.072 9.254 1.00 0.00 H new ATOM 1044 N ALA A 118 -5.533 -1.088 5.191 1.00 0.00 N ATOM 1045 CA ALA A 118 -5.364 -0.010 4.251 1.00 0.00 C ATOM 1046 C ALA A 118 -6.556 0.889 4.358 1.00 0.00 C ATOM 1047 O ALA A 118 -6.523 2.030 3.906 1.00 0.00 O ATOM 1048 CB ALA A 118 -5.430 -0.745 2.896 1.00 0.00 C ATOM 0 H ALA A 118 -5.742 -1.989 4.761 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.459 0.580 4.397 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.313 -0.025 2.086 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -4.630 -1.484 2.844 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.394 -1.246 2.800 1.00 0.00 H new ATOM 1054 N ALA A 119 -7.580 0.435 5.106 1.00 0.00 N ATOM 1055 CA ALA A 119 -8.771 1.206 5.307 1.00 0.00 C ATOM 1056 C ALA A 119 -8.483 2.253 6.348 1.00 0.00 C ATOM 1057 O ALA A 119 -9.283 3.159 6.567 1.00 0.00 O ATOM 1058 CB ALA A 119 -9.630 0.103 5.950 1.00 0.00 C ATOM 0 H ALA A 119 -7.583 -0.471 5.574 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.189 1.709 4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.616 0.502 6.188 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -9.734 -0.729 5.254 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.149 -0.246 6.864 1.00 0.00 H new ATOM 1064 N SER A 120 -7.294 2.186 6.981 1.00 0.00 N ATOM 1065 CA SER A 120 -6.927 3.183 7.949 1.00 0.00 C ATOM 1066 C SER A 120 -6.018 4.163 7.264 1.00 0.00 C ATOM 1067 O SER A 120 -5.736 5.235 7.796 1.00 0.00 O ATOM 1068 CB SER A 120 -6.187 2.605 9.165 1.00 0.00 C ATOM 1069 OG SER A 120 -5.958 3.623 10.133 1.00 0.00 O ATOM 0 H SER A 120 -6.597 1.457 6.828 1.00 0.00 H new ATOM 0 HA SER A 120 -7.843 3.643 8.321 1.00 0.00 H new ATOM 0 HB2 SER A 120 -6.773 1.799 9.607 1.00 0.00 H new ATOM 0 HB3 SER A 120 -5.237 2.173 8.850 1.00 0.00 H new ATOM 0 HG SER A 120 -5.810 4.479 9.679 1.00 0.00 H new ATOM 1075 N LEU A 121 -5.511 3.782 6.073 1.00 0.00 N ATOM 1076 CA LEU A 121 -4.637 4.638 5.320 1.00 0.00 C ATOM 1077 C LEU A 121 -5.432 5.131 4.177 1.00 0.00 C ATOM 1078 O LEU A 121 -4.896 5.590 3.171 1.00 0.00 O ATOM 1079 CB LEU A 121 -3.437 3.875 4.748 1.00 0.00 C ATOM 1080 CG LEU A 121 -2.634 3.138 5.819 1.00 0.00 C ATOM 1081 CD1 LEU A 121 -2.538 3.936 7.120 1.00 0.00 C ATOM 1082 CD2 LEU A 121 -3.235 1.779 6.171 1.00 0.00 C ATOM 0 H LEU A 121 -5.705 2.883 5.632 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.259 5.429 5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.789 3.157 4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.783 4.575 4.228 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.645 3.006 5.380 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.958 3.372 7.851 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.048 4.890 6.926 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.539 4.115 7.512 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.625 1.299 6.936 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.249 1.916 6.548 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.261 1.151 5.281 1.00 0.00 H new ATOM 1094 N ILE A 122 -6.754 5.005 4.334 1.00 0.00 N ATOM 1095 CA ILE A 122 -7.659 5.216 3.244 1.00 0.00 C ATOM 1096 C ILE A 122 -7.701 6.680 2.948 1.00 0.00 C ATOM 1097 O ILE A 122 -7.719 7.521 3.845 1.00 0.00 O ATOM 1098 CB ILE A 122 -9.064 4.658 3.509 1.00 0.00 C ATOM 1099 CG1 ILE A 122 -9.707 3.998 2.288 1.00 0.00 C ATOM 1100 CG2 ILE A 122 -10.068 5.660 4.110 1.00 0.00 C ATOM 1101 CD1 ILE A 122 -9.187 2.590 1.988 1.00 0.00 C ATOM 0 H ILE A 122 -7.204 4.757 5.215 1.00 0.00 H new ATOM 0 HA ILE A 122 -7.292 4.664 2.378 1.00 0.00 H new ATOM 0 HB ILE A 122 -8.860 3.900 4.265 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -10.785 3.950 2.441 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -9.537 4.629 1.416 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -11.029 5.167 4.259 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -9.693 6.021 5.068 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -10.193 6.502 3.429 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -9.694 2.195 1.108 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -8.114 2.631 1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -9.382 1.941 2.841 1.00 0.00 H new ATOM 1113 N GLY A 123 -7.669 6.997 1.643 1.00 0.00 N ATOM 1114 CA GLY A 123 -7.775 8.359 1.200 1.00 0.00 C ATOM 1115 C GLY A 123 -6.401 8.966 1.227 1.00 0.00 C ATOM 1116 O GLY A 123 -6.256 10.184 1.281 1.00 0.00 O ATOM 0 H GLY A 123 -7.570 6.314 0.892 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.190 8.401 0.193 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.451 8.918 1.847 1.00 0.00 H new ATOM 1120 N GLU A 124 -5.351 8.126 1.124 1.00 0.00 N ATOM 1121 CA GLU A 124 -4.009 8.628 1.206 1.00 0.00 C ATOM 1122 C GLU A 124 -3.287 8.174 -0.028 1.00 0.00 C ATOM 1123 O GLU A 124 -3.895 7.878 -1.054 1.00 0.00 O ATOM 1124 CB GLU A 124 -3.247 8.084 2.421 1.00 0.00 C ATOM 1125 CG GLU A 124 -3.987 8.275 3.751 1.00 0.00 C ATOM 1126 CD GLU A 124 -3.632 9.648 4.309 1.00 0.00 C ATOM 1127 OE1 GLU A 124 -2.408 9.932 4.476 1.00 0.00 O ATOM 1128 OE2 GLU A 124 -4.571 10.437 4.588 1.00 0.00 O ATOM 0 H GLU A 124 -5.427 7.118 0.987 1.00 0.00 H new ATOM 0 HA GLU A 124 -4.055 9.713 1.300 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -3.055 7.021 2.272 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.277 8.578 2.481 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -5.064 8.194 3.601 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.704 7.494 4.457 1.00 0.00 H new ATOM 1135 N GLU A 125 -1.944 8.105 0.055 1.00 0.00 N ATOM 1136 CA GLU A 125 -1.162 7.596 -1.033 1.00 0.00 C ATOM 1137 C GLU A 125 -0.218 6.602 -0.457 1.00 0.00 C ATOM 1138 O GLU A 125 0.497 6.896 0.504 1.00 0.00 O ATOM 1139 CB GLU A 125 -0.337 8.664 -1.755 1.00 0.00 C ATOM 1140 CG GLU A 125 -1.148 9.448 -2.790 1.00 0.00 C ATOM 1141 CD GLU A 125 -0.708 10.906 -2.743 1.00 0.00 C ATOM 1142 OE1 GLU A 125 -0.774 11.512 -1.636 1.00 0.00 O ATOM 1143 OE2 GLU A 125 -0.287 11.428 -3.806 1.00 0.00 O ATOM 0 H GLU A 125 -1.403 8.399 0.868 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.848 7.177 -1.769 1.00 0.00 H new ATOM 0 HB2 GLU A 125 0.072 9.358 -1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 125 0.510 8.188 -2.250 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -0.990 9.036 -3.787 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -2.214 9.367 -2.577 1.00 0.00 H new ATOM 1150 N LEU A 126 -0.210 5.386 -1.033 1.00 0.00 N ATOM 1151 CA LEU A 126 0.645 4.351 -0.531 1.00 0.00 C ATOM 1152 C LEU A 126 1.761 4.168 -1.509 1.00 0.00 C ATOM 1153 O LEU A 126 1.634 4.473 -2.695 1.00 0.00 O ATOM 1154 CB LEU A 126 -0.009 2.969 -0.333 1.00 0.00 C ATOM 1155 CG LEU A 126 -1.001 2.892 0.837 1.00 0.00 C ATOM 1156 CD1 LEU A 126 -0.856 1.601 1.655 1.00 0.00 C ATOM 1157 CD2 LEU A 126 -0.881 4.047 1.836 1.00 0.00 C ATOM 0 H LEU A 126 -0.784 5.120 -1.833 1.00 0.00 H new ATOM 0 HA LEU A 126 0.955 4.686 0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.528 2.693 -1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.776 2.229 -0.176 1.00 0.00 H new ATOM 0 HG LEU A 126 -1.969 2.935 0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -1.582 1.602 2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -1.034 0.740 1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.151 1.543 2.068 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.616 3.918 2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.121 4.054 2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -1.063 4.992 1.324 1.00 0.00 H new ATOM 1169 N GLN A 127 2.878 3.597 -1.022 1.00 0.00 N ATOM 1170 CA GLN A 127 3.965 3.246 -1.889 1.00 0.00 C ATOM 1171 C GLN A 127 4.544 1.979 -1.352 1.00 0.00 C ATOM 1172 O GLN A 127 4.375 1.658 -0.177 1.00 0.00 O ATOM 1173 CB GLN A 127 5.082 4.302 -1.934 1.00 0.00 C ATOM 1174 CG GLN A 127 6.011 4.178 -3.154 1.00 0.00 C ATOM 1175 CD GLN A 127 7.428 4.540 -2.723 1.00 0.00 C ATOM 1176 OE1 GLN A 127 7.735 5.700 -2.450 1.00 0.00 O ATOM 1177 NE2 GLN A 127 8.334 3.529 -2.693 1.00 0.00 N ATOM 0 H GLN A 127 3.030 3.379 -0.037 1.00 0.00 H new ATOM 0 HA GLN A 127 3.578 3.156 -2.904 1.00 0.00 H new ATOM 0 HB2 GLN A 127 4.630 5.294 -1.933 1.00 0.00 H new ATOM 0 HB3 GLN A 127 5.679 4.223 -1.026 1.00 0.00 H new ATOM 0 HG2 GLN A 127 5.983 3.163 -3.549 1.00 0.00 H new ATOM 0 HG3 GLN A 127 5.677 4.840 -3.953 1.00 0.00 H new ATOM 0 HE21 GLN A 127 8.045 2.579 -2.925 1.00 0.00 H new ATOM 0 HE22 GLN A 127 9.303 3.720 -2.438 1.00 0.00 H new ATOM 1186 N VAL A 128 5.236 1.220 -2.218 1.00 0.00 N ATOM 1187 CA VAL A 128 5.874 0.015 -1.782 1.00 0.00 C ATOM 1188 C VAL A 128 7.345 0.225 -1.938 1.00 0.00 C ATOM 1189 O VAL A 128 7.788 0.954 -2.820 1.00 0.00 O ATOM 1190 CB VAL A 128 5.444 -1.212 -2.600 1.00 0.00 C ATOM 1191 CG1 VAL A 128 6.316 -2.450 -2.367 1.00 0.00 C ATOM 1192 CG2 VAL A 128 4.015 -1.663 -2.297 1.00 0.00 C ATOM 0 H VAL A 128 5.354 1.435 -3.208 1.00 0.00 H new ATOM 0 HA VAL A 128 5.590 -0.186 -0.749 1.00 0.00 H new ATOM 0 HB VAL A 128 5.544 -0.858 -3.626 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.949 -3.274 -2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 128 7.347 -2.226 -2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.273 -2.733 -1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.771 -2.533 -2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 128 3.932 -1.924 -1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.322 -0.854 -2.526 1.00 0.00 H new ATOM 1202 N ASP A 129 8.137 -0.399 -1.047 1.00 0.00 N ATOM 1203 CA ASP A 129 9.564 -0.294 -1.134 1.00 0.00 C ATOM 1204 C ASP A 129 10.117 -1.636 -0.766 1.00 0.00 C ATOM 1205 O ASP A 129 9.394 -2.627 -0.733 1.00 0.00 O ATOM 1206 CB ASP A 129 10.133 0.784 -0.189 1.00 0.00 C ATOM 1207 CG ASP A 129 11.001 1.727 -1.008 1.00 0.00 C ATOM 1208 OD1 ASP A 129 12.044 1.254 -1.532 1.00 0.00 O ATOM 1209 OD2 ASP A 129 10.635 2.931 -1.106 1.00 0.00 O ATOM 0 H ASP A 129 7.796 -0.970 -0.274 1.00 0.00 H new ATOM 0 HA ASP A 129 9.847 0.003 -2.144 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.323 1.334 0.291 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.719 0.322 0.605 1.00 0.00 H new ATOM 1214 N PHE A 130 11.430 -1.696 -0.461 1.00 0.00 N ATOM 1215 CA PHE A 130 12.045 -2.949 -0.127 1.00 0.00 C ATOM 1216 C PHE A 130 11.562 -3.344 1.241 1.00 0.00 C ATOM 1217 O PHE A 130 10.945 -2.548 1.945 1.00 0.00 O ATOM 1218 CB PHE A 130 13.582 -2.883 -0.124 1.00 0.00 C ATOM 1219 CG PHE A 130 14.095 -4.060 -0.885 1.00 0.00 C ATOM 1220 CD1 PHE A 130 13.996 -4.120 -2.268 1.00 0.00 C ATOM 1221 CD2 PHE A 130 14.725 -5.121 -0.225 1.00 0.00 C ATOM 1222 CE1 PHE A 130 14.434 -5.235 -2.965 1.00 0.00 C ATOM 1223 CE2 PHE A 130 15.160 -6.233 -0.923 1.00 0.00 C ATOM 1224 CZ PHE A 130 15.007 -6.295 -2.294 1.00 0.00 C ATOM 0 H PHE A 130 12.057 -0.892 -0.445 1.00 0.00 H new ATOM 0 HA PHE A 130 11.766 -3.680 -0.886 1.00 0.00 H new ATOM 0 HB2 PHE A 130 13.925 -1.955 -0.581 1.00 0.00 H new ATOM 0 HB3 PHE A 130 13.962 -2.894 0.898 1.00 0.00 H new ATOM 0 HD1 PHE A 130 13.572 -3.287 -2.808 1.00 0.00 H new ATOM 0 HD2 PHE A 130 14.874 -5.071 0.844 1.00 0.00 H new ATOM 0 HE1 PHE A 130 14.326 -5.274 -4.039 1.00 0.00 H new ATOM 0 HE2 PHE A 130 15.620 -7.055 -0.395 1.00 0.00 H new ATOM 0 HZ PHE A 130 15.334 -7.169 -2.838 1.00 0.00 H new ATOM 1234 N LEU A 131 11.931 -4.570 1.671 1.00 0.00 N ATOM 1235 CA LEU A 131 11.335 -5.177 2.831 1.00 0.00 C ATOM 1236 C LEU A 131 11.648 -4.346 4.033 1.00 0.00 C ATOM 1237 O LEU A 131 10.880 -4.317 4.988 1.00 0.00 O ATOM 1238 CB LEU A 131 11.788 -6.623 3.078 1.00 0.00 C ATOM 1239 CG LEU A 131 13.128 -6.986 2.427 1.00 0.00 C ATOM 1240 CD1 LEU A 131 14.339 -6.360 3.130 1.00 0.00 C ATOM 1241 CD2 LEU A 131 13.364 -8.498 2.337 1.00 0.00 C ATOM 0 H LEU A 131 12.642 -5.142 1.216 1.00 0.00 H new ATOM 0 HA LEU A 131 10.262 -5.219 2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 131 11.863 -6.789 4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 131 11.021 -7.300 2.704 1.00 0.00 H new ATOM 0 HG LEU A 131 13.043 -6.570 1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 131 15.253 -6.659 2.616 1.00 0.00 H new ATOM 0 HD12 LEU A 131 14.250 -5.274 3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 131 14.376 -6.702 4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 131 14.329 -8.688 1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 131 13.357 -8.928 3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 131 12.574 -8.955 1.741 1.00 0.00 H new ATOM 1253 N ASP A 132 12.836 -3.730 4.029 1.00 0.00 N ATOM 1254 CA ASP A 132 13.166 -2.710 4.989 1.00 0.00 C ATOM 1255 C ASP A 132 13.028 -3.318 6.413 1.00 0.00 C ATOM 1256 O ASP A 132 12.078 -2.920 7.155 1.00 0.00 O ATOM 1257 CB ASP A 132 12.302 -1.435 4.863 1.00 0.00 C ATOM 1258 CG ASP A 132 13.049 -0.273 5.512 1.00 0.00 C ATOM 1259 OD1 ASP A 132 14.038 -0.535 6.247 1.00 0.00 O ATOM 1260 OD2 ASP A 132 12.659 0.900 5.255 1.00 0.00 O ATOM 1261 OXT ASP A 132 13.861 -4.198 6.762 1.00 0.00 O ATOM 0 H ASP A 132 13.579 -3.933 3.360 1.00 0.00 H new ATOM 0 HA ASP A 132 14.189 -2.389 4.794 1.00 0.00 H new ATOM 0 HB2 ASP A 132 12.101 -1.217 3.814 1.00 0.00 H new ATOM 0 HB3 ASP A 132 11.337 -1.583 5.348 1.00 0.00 H new TER 1266 ASP A 132