USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 927 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 Single : A 4 ASN : amide:sc= -3.16! C(o=-3.2!,f=-6.2!) USER MOD Single : A 8 ASN : amide:sc= -0.0648 X(o=-0.065,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.0254 USER MOD Single : A 24 SER OG : rot -69:sc= 0.768 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 162:sc= 1.07 USER MOD Single : A 38 ASN : amide:sc= 0.112 K(o=0.11,f=-1.8!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -157:sc= -0.285 (180deg=-1.22) USER MOD Single : A 46 SER OG : rot 178:sc= -0.368 USER MOD Single : A 49 CYS SG : rot 72:sc= 0.614 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 55:sc= 0.421 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -10.9! C(o=-11!,f=-11!) USER MOD Single : A 68 ASN : amide:sc= -0.0909 K(o=-0.091,f=-0.64) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.404 X(o=-0.4,f=-0.4) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 84 HIS : no HD1:sc= -0.239 K(o=-0.24,f=-8!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0506 USER MOD Single : A 113 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0335) USER MOD Single : A 114 LYS NZ :NH3+ 159:sc= -0.106 (180deg=-0.596) USER MOD ----------------------------------------------------------------- ATOM 40 N ASN A 4 -3.078 -12.999 -10.103 1.00 0.00 N ATOM 41 CA ASN A 4 -4.108 -12.965 -9.071 1.00 0.00 C ATOM 42 C ASN A 4 -3.479 -12.934 -7.677 1.00 0.00 C ATOM 43 O ASN A 4 -3.610 -13.889 -6.910 1.00 0.00 O ATOM 44 CB ASN A 4 -5.026 -14.183 -9.206 1.00 0.00 C ATOM 45 CG ASN A 4 -6.440 -13.900 -8.740 1.00 0.00 C ATOM 46 OD1 ASN A 4 -6.987 -12.828 -8.994 1.00 0.00 O ATOM 47 ND2 ASN A 4 -7.039 -14.865 -8.053 1.00 0.00 N ATOM 0 HA ASN A 4 -4.697 -12.057 -9.202 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.048 -14.504 -10.248 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.615 -15.010 -8.627 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.991 -14.733 -7.713 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.547 -15.739 -7.866 1.00 0.00 H new ATOM 54 N PRO A 5 -2.787 -11.834 -7.332 1.00 0.00 N ATOM 55 CA PRO A 5 -2.131 -11.686 -6.033 1.00 0.00 C ATOM 56 C PRO A 5 -3.068 -11.169 -4.943 1.00 0.00 C ATOM 57 O PRO A 5 -3.083 -11.690 -3.828 1.00 0.00 O ATOM 58 CB PRO A 5 -1.041 -10.661 -6.329 1.00 0.00 C ATOM 59 CG PRO A 5 -1.626 -9.787 -7.388 1.00 0.00 C ATOM 60 CD PRO A 5 -2.575 -10.648 -8.186 1.00 0.00 C ATOM 0 HA PRO A 5 -1.767 -12.638 -5.647 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.784 -10.087 -5.439 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.126 -11.143 -6.673 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -2.151 -8.941 -6.945 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.844 -9.378 -8.028 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -3.512 -10.128 -8.387 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -2.149 -10.922 -9.151 1.00 0.00 H new ATOM 68 N ALA A 6 -3.848 -10.142 -5.270 1.00 0.00 N ATOM 69 CA ALA A 6 -4.776 -9.550 -4.312 1.00 0.00 C ATOM 70 C ALA A 6 -5.900 -10.515 -3.948 1.00 0.00 C ATOM 71 O ALA A 6 -6.287 -10.617 -2.784 1.00 0.00 O ATOM 72 CB ALA A 6 -5.347 -8.252 -4.865 1.00 0.00 C ATOM 0 H ALA A 6 -3.856 -9.703 -6.191 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.220 -9.333 -3.400 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.038 -7.821 -4.141 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.536 -7.550 -5.056 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.877 -8.455 -5.796 1.00 0.00 H new ATOM 78 N GLU A 7 -6.422 -11.218 -4.947 1.00 0.00 N ATOM 79 CA GLU A 7 -7.507 -12.170 -4.726 1.00 0.00 C ATOM 80 C GLU A 7 -7.018 -13.397 -3.963 1.00 0.00 C ATOM 81 O GLU A 7 -7.669 -13.854 -3.022 1.00 0.00 O ATOM 82 CB GLU A 7 -8.118 -12.597 -6.061 1.00 0.00 C ATOM 83 CG GLU A 7 -8.842 -11.475 -6.787 1.00 0.00 C ATOM 84 CD GLU A 7 -10.349 -11.630 -6.747 1.00 0.00 C ATOM 85 OE1 GLU A 7 -10.885 -12.431 -7.541 1.00 0.00 O ATOM 86 OE2 GLU A 7 -10.994 -10.951 -5.920 1.00 0.00 O ATOM 0 H GLU A 7 -6.113 -11.148 -5.916 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.269 -11.675 -4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.328 -12.985 -6.705 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.817 -13.415 -5.886 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.567 -10.520 -6.338 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.511 -11.446 -7.825 1.00 0.00 H new ATOM 93 N ASN A 8 -5.868 -13.926 -4.370 1.00 0.00 N ATOM 94 CA ASN A 8 -5.297 -15.105 -3.725 1.00 0.00 C ATOM 95 C ASN A 8 -4.894 -14.795 -2.288 1.00 0.00 C ATOM 96 O ASN A 8 -4.824 -15.689 -1.443 1.00 0.00 O ATOM 97 CB ASN A 8 -4.084 -15.608 -4.509 1.00 0.00 C ATOM 98 CG ASN A 8 -3.610 -16.967 -4.034 1.00 0.00 C ATOM 99 OD1 ASN A 8 -4.035 -18.001 -4.548 1.00 0.00 O ATOM 100 ND2 ASN A 8 -2.724 -16.971 -3.043 1.00 0.00 N ATOM 0 H ASN A 8 -5.313 -13.558 -5.143 1.00 0.00 H new ATOM 0 HA ASN A 8 -6.059 -15.884 -3.712 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.337 -15.665 -5.568 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.270 -14.889 -4.414 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.369 -17.856 -2.679 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.399 -16.089 -2.646 1.00 0.00 H new ATOM 107 N PHE A 9 -4.631 -13.522 -2.017 1.00 0.00 N ATOM 108 CA PHE A 9 -4.234 -13.086 -0.684 1.00 0.00 C ATOM 109 C PHE A 9 -5.449 -12.958 0.231 1.00 0.00 C ATOM 110 O PHE A 9 -5.476 -13.518 1.327 1.00 0.00 O ATOM 111 CB PHE A 9 -3.490 -11.749 -0.769 1.00 0.00 C ATOM 112 CG PHE A 9 -3.516 -10.949 0.503 1.00 0.00 C ATOM 113 CD1 PHE A 9 -2.678 -11.273 1.557 1.00 0.00 C ATOM 114 CD2 PHE A 9 -4.378 -9.873 0.644 1.00 0.00 C ATOM 115 CE1 PHE A 9 -2.699 -10.538 2.728 1.00 0.00 C ATOM 116 CE2 PHE A 9 -4.405 -9.136 1.812 1.00 0.00 C ATOM 117 CZ PHE A 9 -3.564 -9.468 2.855 1.00 0.00 C ATOM 0 H PHE A 9 -4.686 -12.771 -2.706 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.568 -13.837 -0.260 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.453 -11.940 -1.044 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.928 -11.152 -1.570 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.001 -12.109 1.463 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.037 -9.607 -0.169 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.040 -10.800 3.543 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.083 -8.301 1.909 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.582 -8.892 3.769 1.00 0.00 H new ATOM 127 N ARG A 10 -6.453 -12.220 -0.233 1.00 0.00 N ATOM 128 CA ARG A 10 -7.672 -12.006 0.540 1.00 0.00 C ATOM 129 C ARG A 10 -8.407 -13.318 0.794 1.00 0.00 C ATOM 130 O ARG A 10 -9.074 -13.477 1.819 1.00 0.00 O ATOM 131 CB ARG A 10 -8.594 -11.026 -0.187 1.00 0.00 C ATOM 132 CG ARG A 10 -8.024 -9.621 -0.297 1.00 0.00 C ATOM 133 CD ARG A 10 -8.806 -8.778 -1.292 1.00 0.00 C ATOM 134 NE ARG A 10 -8.926 -7.390 -0.856 1.00 0.00 N ATOM 135 CZ ARG A 10 -9.577 -6.455 -1.541 1.00 0.00 C ATOM 136 NH1 ARG A 10 -10.166 -6.758 -2.690 1.00 0.00 N ATOM 137 NH2 ARG A 10 -9.642 -5.215 -1.076 1.00 0.00 N ATOM 0 H ARG A 10 -6.446 -11.759 -1.143 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.385 -11.585 1.504 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.797 -11.406 -1.188 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.549 -10.982 0.337 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.044 -9.142 0.682 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.980 -9.674 -0.605 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.312 -8.812 -2.263 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.801 -9.204 -1.425 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.485 -7.122 0.024 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.120 -7.711 -3.051 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.665 -6.038 -3.213 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.192 -4.978 -0.192 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.142 -4.498 -1.602 1.00 0.00 H new ATOM 151 N VAL A 11 -8.285 -14.255 -0.139 1.00 0.00 N ATOM 152 CA VAL A 11 -8.948 -15.547 -0.009 1.00 0.00 C ATOM 153 C VAL A 11 -8.176 -16.473 0.929 1.00 0.00 C ATOM 154 O VAL A 11 -8.765 -17.145 1.774 1.00 0.00 O ATOM 155 CB VAL A 11 -9.135 -16.231 -1.381 1.00 0.00 C ATOM 156 CG1 VAL A 11 -7.807 -16.723 -1.935 1.00 0.00 C ATOM 157 CG2 VAL A 11 -10.131 -17.375 -1.275 1.00 0.00 C ATOM 0 H VAL A 11 -7.735 -14.145 -0.991 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.933 -15.356 0.418 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.532 -15.491 -2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.970 -17.200 -2.901 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.128 -15.879 -2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.369 -17.443 -1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.250 -17.845 -2.251 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.765 -18.111 -0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.093 -16.990 -0.938 1.00 0.00 H new ATOM 167 N LEU A 12 -6.854 -16.502 0.780 1.00 0.00 N ATOM 168 CA LEU A 12 -6.009 -17.346 1.617 1.00 0.00 C ATOM 169 C LEU A 12 -6.176 -17.000 3.093 1.00 0.00 C ATOM 170 O LEU A 12 -5.978 -17.847 3.964 1.00 0.00 O ATOM 171 CB LEU A 12 -4.541 -17.200 1.212 1.00 0.00 C ATOM 172 CG LEU A 12 -3.603 -18.261 1.786 1.00 0.00 C ATOM 173 CD1 LEU A 12 -2.694 -18.814 0.700 1.00 0.00 C ATOM 174 CD2 LEU A 12 -2.780 -17.681 2.928 1.00 0.00 C ATOM 0 H LEU A 12 -6.346 -15.951 0.088 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.320 -18.380 1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.475 -17.229 0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.189 -16.217 1.526 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.207 -19.080 2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.033 -19.568 1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.299 -19.266 -0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.097 -18.005 0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.117 -18.450 3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.186 -16.844 2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.447 -17.333 3.717 1.00 0.00 H new ATOM 186 N VAL A 13 -6.542 -15.751 3.369 1.00 0.00 N ATOM 187 CA VAL A 13 -6.730 -15.303 4.747 1.00 0.00 C ATOM 188 C VAL A 13 -8.195 -15.393 5.165 1.00 0.00 C ATOM 189 O VAL A 13 -8.529 -15.195 6.333 1.00 0.00 O ATOM 190 CB VAL A 13 -6.236 -13.856 4.959 1.00 0.00 C ATOM 191 CG1 VAL A 13 -4.715 -13.805 4.979 1.00 0.00 C ATOM 192 CG2 VAL A 13 -6.797 -12.933 3.888 1.00 0.00 C ATOM 0 H VAL A 13 -6.713 -15.035 2.663 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.133 -15.971 5.368 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.599 -13.509 5.927 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.387 -12.776 5.129 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.341 -14.428 5.792 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.326 -14.174 4.030 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.436 -11.918 4.057 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.471 -13.275 2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.886 -12.943 3.933 1.00 0.00 H new ATOM 202 N LYS A 14 -9.065 -15.693 4.206 1.00 0.00 N ATOM 203 CA LYS A 14 -10.495 -15.801 4.477 1.00 0.00 C ATOM 204 C LYS A 14 -10.972 -17.251 4.418 1.00 0.00 C ATOM 205 O LYS A 14 -12.131 -17.541 4.716 1.00 0.00 O ATOM 206 CB LYS A 14 -11.281 -14.955 3.474 1.00 0.00 C ATOM 207 CG LYS A 14 -12.671 -14.579 3.953 1.00 0.00 C ATOM 208 CD LYS A 14 -13.570 -14.180 2.794 1.00 0.00 C ATOM 209 CE LYS A 14 -14.801 -13.428 3.276 1.00 0.00 C ATOM 210 NZ LYS A 14 -15.951 -14.341 3.515 1.00 0.00 N ATOM 0 H LYS A 14 -8.806 -15.866 3.235 1.00 0.00 H new ATOM 0 HA LYS A 14 -10.671 -15.431 5.487 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.721 -14.045 3.262 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.365 -15.504 2.536 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.114 -15.421 4.485 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.602 -13.754 4.662 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.011 -13.556 2.097 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.878 -15.071 2.247 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.563 -12.895 4.197 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.081 -12.678 2.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.770 -13.790 3.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -16.195 -14.831 2.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.693 -15.041 4.239 1.00 0.00 H new ATOM 224 N GLN A 15 -10.078 -18.159 4.035 1.00 0.00 N ATOM 225 CA GLN A 15 -10.426 -19.574 3.937 1.00 0.00 C ATOM 226 C GLN A 15 -9.624 -20.415 4.922 1.00 0.00 C ATOM 227 O GLN A 15 -9.923 -21.592 5.131 1.00 0.00 O ATOM 228 CB GLN A 15 -10.179 -20.084 2.519 1.00 0.00 C ATOM 229 CG GLN A 15 -10.860 -19.251 1.446 1.00 0.00 C ATOM 230 CD GLN A 15 -12.370 -19.383 1.479 1.00 0.00 C ATOM 231 OE1 GLN A 15 -13.067 -18.535 2.037 1.00 0.00 O ATOM 232 NE2 GLN A 15 -12.884 -20.452 0.881 1.00 0.00 N ATOM 0 H GLN A 15 -9.112 -17.942 3.789 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.484 -19.669 4.182 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.106 -20.099 2.329 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.530 -21.113 2.446 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.587 -18.204 1.576 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.493 -19.557 0.466 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -12.269 -21.130 0.431 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.894 -20.595 0.872 1.00 0.00 H new ATOM 241 N LYS A 16 -8.611 -19.808 5.528 1.00 0.00 N ATOM 242 CA LYS A 16 -7.760 -20.506 6.476 1.00 0.00 C ATOM 243 C LYS A 16 -6.764 -19.528 7.075 1.00 0.00 C ATOM 244 O LYS A 16 -5.981 -18.908 6.354 1.00 0.00 O ATOM 245 CB LYS A 16 -7.037 -21.667 5.779 1.00 0.00 C ATOM 246 CG LYS A 16 -5.618 -21.913 6.269 1.00 0.00 C ATOM 247 CD LYS A 16 -5.605 -22.699 7.570 1.00 0.00 C ATOM 248 CE LYS A 16 -5.564 -24.198 7.315 1.00 0.00 C ATOM 249 NZ LYS A 16 -6.737 -24.896 7.909 1.00 0.00 N ATOM 0 H LYS A 16 -8.361 -18.831 5.377 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.370 -20.921 7.279 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.619 -22.578 5.920 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.009 -21.469 4.707 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.059 -22.458 5.508 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.112 -20.959 6.414 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.740 -22.406 8.165 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.491 -22.452 8.154 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.538 -24.383 6.241 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.646 -24.612 7.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.671 -25.915 7.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.749 -24.742 8.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.612 -24.520 7.493 1.00 0.00 H new ATOM 263 N LYS A 17 -6.799 -19.384 8.389 1.00 0.00 N ATOM 264 CA LYS A 17 -5.900 -18.464 9.060 1.00 0.00 C ATOM 265 C LYS A 17 -4.464 -18.975 9.017 1.00 0.00 C ATOM 266 O LYS A 17 -3.988 -19.604 9.963 1.00 0.00 O ATOM 267 CB LYS A 17 -6.340 -18.244 10.509 1.00 0.00 C ATOM 268 CG LYS A 17 -7.792 -17.818 10.646 1.00 0.00 C ATOM 269 CD LYS A 17 -7.929 -16.304 10.671 1.00 0.00 C ATOM 270 CE LYS A 17 -9.320 -15.878 11.114 1.00 0.00 C ATOM 271 NZ LYS A 17 -9.431 -14.399 11.248 1.00 0.00 N ATOM 0 H LYS A 17 -7.435 -19.888 9.007 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.940 -17.511 8.533 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.186 -19.165 11.071 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.703 -17.484 10.962 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.371 -18.223 9.816 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.210 -18.237 11.561 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.185 -15.881 11.347 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.723 -15.902 9.679 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.056 -16.233 10.392 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.557 -16.348 12.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.394 -14.149 11.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.747 -14.062 11.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.230 -13.951 10.331 1.00 0.00 H new ATOM 285 N ALA A 18 -3.782 -18.702 7.910 1.00 0.00 N ATOM 286 CA ALA A 18 -2.398 -19.127 7.738 1.00 0.00 C ATOM 287 C ALA A 18 -1.440 -18.034 8.195 1.00 0.00 C ATOM 288 O ALA A 18 -0.313 -17.939 7.706 1.00 0.00 O ATOM 289 CB ALA A 18 -2.136 -19.494 6.285 1.00 0.00 C ATOM 0 H ALA A 18 -4.166 -18.188 7.117 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.228 -20.009 8.355 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.099 -19.809 6.171 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.798 -20.309 5.990 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.323 -18.627 5.651 1.00 0.00 H new ATOM 295 N SER A 19 -1.911 -17.206 9.126 1.00 0.00 N ATOM 296 CA SER A 19 -1.117 -16.106 9.671 1.00 0.00 C ATOM 297 C SER A 19 -1.023 -14.963 8.667 1.00 0.00 C ATOM 298 O SER A 19 -0.481 -15.124 7.573 1.00 0.00 O ATOM 299 CB SER A 19 0.284 -16.582 10.064 1.00 0.00 C ATOM 300 OG SER A 19 0.233 -17.843 10.709 1.00 0.00 O ATOM 0 H SER A 19 -2.848 -17.278 9.522 1.00 0.00 H new ATOM 0 HA SER A 19 -1.619 -15.743 10.568 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.911 -16.650 9.175 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.748 -15.850 10.726 1.00 0.00 H new ATOM 0 HG SER A 19 1.141 -18.125 10.948 1.00 0.00 H new ATOM 306 N PHE A 20 -1.559 -13.809 9.051 1.00 0.00 N ATOM 307 CA PHE A 20 -1.548 -12.631 8.191 1.00 0.00 C ATOM 308 C PHE A 20 -0.122 -12.223 7.836 1.00 0.00 C ATOM 309 O PHE A 20 0.133 -11.708 6.749 1.00 0.00 O ATOM 310 CB PHE A 20 -2.266 -11.470 8.883 1.00 0.00 C ATOM 311 CG PHE A 20 -2.535 -10.301 7.978 1.00 0.00 C ATOM 312 CD1 PHE A 20 -3.713 -10.229 7.251 1.00 0.00 C ATOM 313 CD2 PHE A 20 -1.613 -9.274 7.857 1.00 0.00 C ATOM 314 CE1 PHE A 20 -3.965 -9.153 6.420 1.00 0.00 C ATOM 315 CE2 PHE A 20 -1.860 -8.196 7.028 1.00 0.00 C ATOM 316 CZ PHE A 20 -3.037 -8.136 6.309 1.00 0.00 C ATOM 0 H PHE A 20 -2.008 -13.664 9.955 1.00 0.00 H new ATOM 0 HA PHE A 20 -2.071 -12.880 7.268 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.212 -11.829 9.289 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.664 -11.134 9.727 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.442 -11.022 7.335 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.690 -9.316 8.417 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.886 -9.108 5.858 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.133 -7.402 6.943 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.232 -7.295 5.660 1.00 0.00 H new ATOM 326 N GLU A 21 0.799 -12.448 8.767 1.00 0.00 N ATOM 327 CA GLU A 21 2.205 -12.104 8.566 1.00 0.00 C ATOM 328 C GLU A 21 2.751 -12.678 7.259 1.00 0.00 C ATOM 329 O GLU A 21 3.268 -11.941 6.420 1.00 0.00 O ATOM 330 CB GLU A 21 3.043 -12.607 9.742 1.00 0.00 C ATOM 331 CG GLU A 21 4.325 -11.821 9.955 1.00 0.00 C ATOM 332 CD GLU A 21 5.108 -12.298 11.163 1.00 0.00 C ATOM 333 OE1 GLU A 21 4.780 -11.872 12.291 1.00 0.00 O ATOM 334 OE2 GLU A 21 6.050 -13.099 10.982 1.00 0.00 O ATOM 0 H GLU A 21 0.597 -12.869 9.674 1.00 0.00 H new ATOM 0 HA GLU A 21 2.271 -11.018 8.507 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.443 -12.561 10.651 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.292 -13.655 9.578 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.950 -11.904 9.066 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.083 -10.765 10.077 1.00 0.00 H new ATOM 341 N GLU A 22 2.644 -13.994 7.096 1.00 0.00 N ATOM 342 CA GLU A 22 3.139 -14.659 5.893 1.00 0.00 C ATOM 343 C GLU A 22 2.525 -14.062 4.630 1.00 0.00 C ATOM 344 O GLU A 22 3.235 -13.736 3.678 1.00 0.00 O ATOM 345 CB GLU A 22 2.840 -16.158 5.958 1.00 0.00 C ATOM 346 CG GLU A 22 3.998 -16.987 6.488 1.00 0.00 C ATOM 347 CD GLU A 22 3.835 -18.467 6.202 1.00 0.00 C ATOM 348 OE1 GLU A 22 2.930 -19.090 6.796 1.00 0.00 O ATOM 349 OE2 GLU A 22 4.612 -19.004 5.384 1.00 0.00 O ATOM 0 H GLU A 22 2.220 -14.620 7.780 1.00 0.00 H new ATOM 0 HA GLU A 22 4.217 -14.505 5.849 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.969 -16.319 6.593 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.578 -16.511 4.961 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.927 -16.634 6.040 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.085 -16.836 7.564 1.00 0.00 H new ATOM 356 N ALA A 23 1.204 -13.924 4.627 1.00 0.00 N ATOM 357 CA ALA A 23 0.493 -13.371 3.479 1.00 0.00 C ATOM 358 C ALA A 23 0.931 -11.937 3.196 1.00 0.00 C ATOM 359 O ALA A 23 1.066 -11.535 2.039 1.00 0.00 O ATOM 360 CB ALA A 23 -1.009 -13.432 3.711 1.00 0.00 C ATOM 0 H ALA A 23 0.603 -14.188 5.407 1.00 0.00 H new ATOM 0 HA ALA A 23 0.740 -13.974 2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.528 -13.016 2.847 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.313 -14.469 3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.264 -12.854 4.600 1.00 0.00 H new ATOM 366 N SER A 24 1.152 -11.170 4.259 1.00 0.00 N ATOM 367 CA SER A 24 1.573 -9.782 4.127 1.00 0.00 C ATOM 368 C SER A 24 2.951 -9.699 3.481 1.00 0.00 C ATOM 369 O SER A 24 3.148 -8.969 2.509 1.00 0.00 O ATOM 370 CB SER A 24 1.591 -9.097 5.496 1.00 0.00 C ATOM 371 OG SER A 24 2.846 -9.256 6.135 1.00 0.00 O ATOM 0 H SER A 24 1.046 -11.488 5.222 1.00 0.00 H new ATOM 0 HA SER A 24 0.857 -9.267 3.486 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.373 -8.036 5.377 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.805 -9.515 6.125 1.00 0.00 H new ATOM 0 HG SER A 24 2.969 -10.195 6.386 1.00 0.00 H new ATOM 377 N ASN A 25 3.901 -10.448 4.033 1.00 0.00 N ATOM 378 CA ASN A 25 5.261 -10.468 3.506 1.00 0.00 C ATOM 379 C ASN A 25 5.258 -10.812 2.021 1.00 0.00 C ATOM 380 O ASN A 25 5.922 -10.153 1.220 1.00 0.00 O ATOM 381 CB ASN A 25 6.112 -11.482 4.275 1.00 0.00 C ATOM 382 CG ASN A 25 6.959 -10.828 5.349 1.00 0.00 C ATOM 383 OD1 ASN A 25 8.058 -10.343 5.081 1.00 0.00 O ATOM 384 ND2 ASN A 25 6.451 -10.814 6.575 1.00 0.00 N ATOM 0 H ASN A 25 3.754 -11.048 4.844 1.00 0.00 H new ATOM 0 HA ASN A 25 5.691 -9.474 3.632 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.460 -12.226 4.733 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.760 -12.012 3.577 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.976 -10.389 7.340 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.536 -11.228 6.753 1.00 0.00 H new ATOM 391 N GLN A 26 4.507 -11.848 1.661 1.00 0.00 N ATOM 392 CA GLN A 26 4.413 -12.275 0.269 1.00 0.00 C ATOM 393 C GLN A 26 3.868 -11.151 -0.605 1.00 0.00 C ATOM 394 O GLN A 26 4.405 -10.865 -1.677 1.00 0.00 O ATOM 395 CB GLN A 26 3.518 -13.509 0.150 1.00 0.00 C ATOM 396 CG GLN A 26 4.272 -14.822 0.284 1.00 0.00 C ATOM 397 CD GLN A 26 3.427 -16.021 -0.099 1.00 0.00 C ATOM 398 OE1 GLN A 26 2.277 -16.144 0.322 1.00 0.00 O ATOM 399 NE2 GLN A 26 3.995 -16.914 -0.901 1.00 0.00 N ATOM 0 H GLN A 26 3.956 -12.407 2.312 1.00 0.00 H new ATOM 0 HA GLN A 26 5.415 -12.529 -0.077 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.746 -13.463 0.918 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.010 -13.488 -0.814 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.161 -14.792 -0.346 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.614 -14.937 1.312 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.951 -16.772 -1.226 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.475 -17.742 -1.192 1.00 0.00 H new ATOM 408 N LEU A 27 2.794 -10.519 -0.140 1.00 0.00 N ATOM 409 CA LEU A 27 2.173 -9.423 -0.873 1.00 0.00 C ATOM 410 C LEU A 27 3.173 -8.299 -1.124 1.00 0.00 C ATOM 411 O LEU A 27 3.283 -7.795 -2.244 1.00 0.00 O ATOM 412 CB LEU A 27 0.966 -8.884 -0.099 1.00 0.00 C ATOM 413 CG LEU A 27 -0.253 -8.522 -0.955 1.00 0.00 C ATOM 414 CD1 LEU A 27 0.079 -7.386 -1.910 1.00 0.00 C ATOM 415 CD2 LEU A 27 -0.750 -9.739 -1.723 1.00 0.00 C ATOM 0 H LEU A 27 2.336 -10.748 0.742 1.00 0.00 H new ATOM 0 HA LEU A 27 1.838 -9.808 -1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.664 -9.630 0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.277 -7.998 0.455 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.049 -8.188 -0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.800 -7.145 -2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.382 -6.508 -1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.893 -7.690 -2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.616 -9.461 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.042 -10.106 -2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.033 -10.522 -1.020 1.00 0.00 H new ATOM 427 N ILE A 28 3.901 -7.907 -0.080 1.00 0.00 N ATOM 428 CA ILE A 28 4.888 -6.842 -0.198 1.00 0.00 C ATOM 429 C ILE A 28 5.995 -7.231 -1.175 1.00 0.00 C ATOM 430 O ILE A 28 6.520 -6.385 -1.901 1.00 0.00 O ATOM 431 CB ILE A 28 5.494 -6.478 1.180 1.00 0.00 C ATOM 432 CG1 ILE A 28 5.558 -4.959 1.342 1.00 0.00 C ATOM 433 CG2 ILE A 28 6.876 -7.094 1.361 1.00 0.00 C ATOM 434 CD1 ILE A 28 4.240 -4.340 1.750 1.00 0.00 C ATOM 0 H ILE A 28 3.824 -8.311 0.853 1.00 0.00 H new ATOM 0 HA ILE A 28 4.374 -5.962 -0.586 1.00 0.00 H new ATOM 0 HB ILE A 28 4.846 -6.890 1.953 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.313 -4.713 2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.883 -4.515 0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.272 -6.819 2.338 1.00 0.00 H new ATOM 0 HG22 ILE A 28 6.802 -8.179 1.292 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.544 -6.725 0.582 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.359 -3.261 1.846 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.487 -4.556 0.992 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.923 -4.757 2.706 1.00 0.00 H new ATOM 446 N ASN A 29 6.345 -8.516 -1.187 1.00 0.00 N ATOM 447 CA ASN A 29 7.381 -9.012 -2.083 1.00 0.00 C ATOM 448 C ASN A 29 6.923 -8.885 -3.528 1.00 0.00 C ATOM 449 O ASN A 29 7.677 -8.438 -4.394 1.00 0.00 O ATOM 450 CB ASN A 29 7.711 -10.472 -1.762 1.00 0.00 C ATOM 451 CG ASN A 29 9.194 -10.694 -1.542 1.00 0.00 C ATOM 452 OD1 ASN A 29 9.700 -10.536 -0.431 1.00 0.00 O ATOM 453 ND2 ASN A 29 9.902 -11.063 -2.604 1.00 0.00 N ATOM 0 H ASN A 29 5.927 -9.228 -0.588 1.00 0.00 H new ATOM 0 HA ASN A 29 8.281 -8.414 -1.942 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.164 -10.778 -0.870 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.369 -11.107 -2.579 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.905 -11.227 -2.517 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.443 -11.183 -3.507 1.00 0.00 H new ATOM 460 N HIS A 30 5.679 -9.284 -3.781 1.00 0.00 N ATOM 461 CA HIS A 30 5.110 -9.199 -5.119 1.00 0.00 C ATOM 462 C HIS A 30 5.124 -7.755 -5.597 1.00 0.00 C ATOM 463 O HIS A 30 5.489 -7.469 -6.739 1.00 0.00 O ATOM 464 CB HIS A 30 3.679 -9.742 -5.126 1.00 0.00 C ATOM 465 CG HIS A 30 3.574 -11.147 -5.634 1.00 0.00 C ATOM 466 ND1 HIS A 30 4.222 -12.211 -5.042 1.00 0.00 N ATOM 467 CD2 HIS A 30 2.891 -11.661 -6.683 1.00 0.00 C ATOM 468 CE1 HIS A 30 3.943 -13.318 -5.707 1.00 0.00 C ATOM 469 NE2 HIS A 30 3.137 -13.012 -6.705 1.00 0.00 N ATOM 0 H HIS A 30 5.049 -9.668 -3.077 1.00 0.00 H new ATOM 0 HA HIS A 30 5.714 -9.804 -5.796 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.278 -9.700 -4.113 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.056 -9.094 -5.743 1.00 0.00 H new ATOM 0 HD2 HIS A 30 2.269 -11.112 -7.374 1.00 0.00 H new ATOM 0 HE1 HIS A 30 4.312 -14.306 -5.473 1.00 0.00 H new ATOM 0 HE2 HIS A 30 2.758 -13.672 -7.384 1.00 0.00 H new ATOM 478 N ILE A 31 4.721 -6.846 -4.713 1.00 0.00 N ATOM 479 CA ILE A 31 4.704 -5.426 -5.035 1.00 0.00 C ATOM 480 C ILE A 31 6.096 -4.962 -5.445 1.00 0.00 C ATOM 481 O ILE A 31 6.265 -4.297 -6.468 1.00 0.00 O ATOM 482 CB ILE A 31 4.212 -4.578 -3.844 1.00 0.00 C ATOM 483 CG1 ILE A 31 2.777 -4.960 -3.478 1.00 0.00 C ATOM 484 CG2 ILE A 31 4.302 -3.094 -4.173 1.00 0.00 C ATOM 485 CD1 ILE A 31 2.362 -4.501 -2.096 1.00 0.00 C ATOM 0 H ILE A 31 4.403 -7.069 -3.770 1.00 0.00 H new ATOM 0 HA ILE A 31 4.010 -5.288 -5.864 1.00 0.00 H new ATOM 0 HB ILE A 31 4.854 -4.779 -2.986 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.097 -4.531 -4.214 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.671 -6.043 -3.539 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.951 -2.511 -3.322 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.337 -2.832 -4.390 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.682 -2.876 -5.043 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.333 -4.807 -1.905 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.019 -4.950 -1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.435 -3.415 -2.036 1.00 0.00 H new ATOM 497 N GLU A 32 7.091 -5.316 -4.633 1.00 0.00 N ATOM 498 CA GLU A 32 8.474 -4.951 -4.916 1.00 0.00 C ATOM 499 C GLU A 32 8.879 -5.436 -6.302 1.00 0.00 C ATOM 500 O GLU A 32 9.538 -4.719 -7.056 1.00 0.00 O ATOM 501 CB GLU A 32 9.408 -5.542 -3.859 1.00 0.00 C ATOM 502 CG GLU A 32 9.397 -4.781 -2.543 1.00 0.00 C ATOM 503 CD GLU A 32 10.331 -5.383 -1.514 1.00 0.00 C ATOM 504 OE1 GLU A 32 9.887 -6.270 -0.754 1.00 0.00 O ATOM 505 OE2 GLU A 32 11.509 -4.968 -1.465 1.00 0.00 O ATOM 0 H GLU A 32 6.963 -5.854 -3.776 1.00 0.00 H new ATOM 0 HA GLU A 32 8.556 -3.864 -4.888 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.123 -6.577 -3.673 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.425 -5.557 -4.252 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.682 -3.745 -2.725 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.383 -4.768 -2.144 1.00 0.00 H new ATOM 512 N GLN A 33 8.481 -6.662 -6.632 1.00 0.00 N ATOM 513 CA GLN A 33 8.789 -7.239 -7.934 1.00 0.00 C ATOM 514 C GLN A 33 8.190 -6.379 -9.038 1.00 0.00 C ATOM 515 O GLN A 33 8.834 -6.107 -10.049 1.00 0.00 O ATOM 516 CB GLN A 33 8.250 -8.668 -8.027 1.00 0.00 C ATOM 517 CG GLN A 33 9.247 -9.725 -7.579 1.00 0.00 C ATOM 518 CD GLN A 33 8.821 -11.127 -7.965 1.00 0.00 C ATOM 519 OE1 GLN A 33 7.703 -11.553 -7.670 1.00 0.00 O ATOM 520 NE2 GLN A 33 9.713 -11.855 -8.627 1.00 0.00 N ATOM 0 H GLN A 33 7.945 -7.273 -6.015 1.00 0.00 H new ATOM 0 HA GLN A 33 9.872 -7.270 -8.056 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.350 -8.748 -7.418 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.957 -8.870 -9.057 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.221 -9.511 -8.019 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.367 -9.671 -6.497 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.627 -11.462 -8.850 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.484 -12.807 -8.912 1.00 0.00 H new ATOM 529 N PHE A 34 6.940 -5.973 -8.841 1.00 0.00 N ATOM 530 CA PHE A 34 6.250 -5.125 -9.806 1.00 0.00 C ATOM 531 C PHE A 34 7.038 -3.842 -10.054 1.00 0.00 C ATOM 532 O PHE A 34 6.987 -3.274 -11.146 1.00 0.00 O ATOM 533 CB PHE A 34 4.843 -4.787 -9.309 1.00 0.00 C ATOM 534 CG PHE A 34 3.801 -5.781 -9.737 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.398 -5.855 -11.061 1.00 0.00 C ATOM 536 CD2 PHE A 34 3.225 -6.640 -8.815 1.00 0.00 C ATOM 537 CE1 PHE A 34 2.440 -6.769 -11.458 1.00 0.00 C ATOM 538 CE2 PHE A 34 2.266 -7.555 -9.206 1.00 0.00 C ATOM 539 CZ PHE A 34 1.873 -7.620 -10.529 1.00 0.00 C ATOM 0 H PHE A 34 6.384 -6.218 -8.022 1.00 0.00 H new ATOM 0 HA PHE A 34 6.170 -5.672 -10.745 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.855 -4.731 -8.221 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.564 -3.799 -9.676 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.837 -5.191 -11.791 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.529 -6.594 -7.780 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.135 -6.818 -12.493 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.824 -8.219 -8.478 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.124 -8.335 -10.836 1.00 0.00 H new ATOM 549 N LEU A 35 7.766 -3.391 -9.036 1.00 0.00 N ATOM 550 CA LEU A 35 8.571 -2.176 -9.144 1.00 0.00 C ATOM 551 C LEU A 35 9.818 -2.423 -9.990 1.00 0.00 C ATOM 552 O LEU A 35 10.448 -1.484 -10.477 1.00 0.00 O ATOM 553 CB LEU A 35 8.976 -1.678 -7.755 1.00 0.00 C ATOM 554 CG LEU A 35 7.878 -0.942 -6.985 1.00 0.00 C ATOM 555 CD1 LEU A 35 7.890 -1.350 -5.519 1.00 0.00 C ATOM 556 CD2 LEU A 35 8.051 0.563 -7.122 1.00 0.00 C ATOM 0 H LEU A 35 7.816 -3.849 -8.126 1.00 0.00 H new ATOM 0 HA LEU A 35 7.965 -1.413 -9.633 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.305 -2.531 -7.162 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.833 -1.013 -7.860 1.00 0.00 H new ATOM 0 HG LEU A 35 6.913 -1.218 -7.410 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.103 -0.817 -4.986 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.720 -2.424 -5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.857 -1.102 -5.080 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.262 1.072 -6.568 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.022 0.856 -6.722 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.994 0.842 -8.174 1.00 0.00 H new ATOM 568 N ASP A 36 10.162 -3.695 -10.160 1.00 0.00 N ATOM 569 CA ASP A 36 11.334 -4.075 -10.943 1.00 0.00 C ATOM 570 C ASP A 36 11.111 -3.786 -12.424 1.00 0.00 C ATOM 571 O ASP A 36 12.023 -3.922 -13.240 1.00 0.00 O ATOM 572 CB ASP A 36 11.654 -5.558 -10.743 1.00 0.00 C ATOM 573 CG ASP A 36 13.121 -5.868 -10.966 1.00 0.00 C ATOM 574 OD1 ASP A 36 13.927 -5.625 -10.042 1.00 0.00 O ATOM 575 OD2 ASP A 36 13.465 -6.354 -12.064 1.00 0.00 O ATOM 0 H ASP A 36 9.646 -4.482 -9.766 1.00 0.00 H new ATOM 0 HA ASP A 36 12.180 -3.481 -10.596 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.372 -5.855 -9.733 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.051 -6.153 -11.429 1.00 0.00 H new ATOM 580 N THR A 37 9.888 -3.385 -12.762 1.00 0.00 N ATOM 581 CA THR A 37 9.534 -3.070 -14.138 1.00 0.00 C ATOM 582 C THR A 37 8.959 -1.663 -14.235 1.00 0.00 C ATOM 583 O THR A 37 7.876 -1.386 -13.721 1.00 0.00 O ATOM 584 CB THR A 37 8.510 -4.074 -14.700 1.00 0.00 C ATOM 585 OG1 THR A 37 7.804 -4.708 -13.627 1.00 0.00 O ATOM 586 CG2 THR A 37 9.198 -5.128 -15.553 1.00 0.00 C ATOM 0 H THR A 37 9.124 -3.271 -12.096 1.00 0.00 H new ATOM 0 HA THR A 37 10.448 -3.133 -14.729 1.00 0.00 H new ATOM 0 HB THR A 37 7.804 -3.527 -15.325 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.980 -5.112 -13.971 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.455 -5.826 -15.939 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.709 -4.645 -16.386 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.924 -5.670 -14.947 1.00 0.00 H new ATOM 594 N ASN A 38 9.699 -0.780 -14.892 1.00 0.00 N ATOM 595 CA ASN A 38 9.275 0.606 -15.059 1.00 0.00 C ATOM 596 C ASN A 38 8.242 0.737 -16.176 1.00 0.00 C ATOM 597 O ASN A 38 8.453 1.464 -17.148 1.00 0.00 O ATOM 598 CB ASN A 38 10.484 1.496 -15.359 1.00 0.00 C ATOM 599 CG ASN A 38 11.350 0.937 -16.472 1.00 0.00 C ATOM 600 OD1 ASN A 38 12.120 0.000 -16.263 1.00 0.00 O ATOM 601 ND2 ASN A 38 11.228 1.513 -17.662 1.00 0.00 N ATOM 0 H ASN A 38 10.599 -0.999 -15.320 1.00 0.00 H new ATOM 0 HA ASN A 38 8.812 0.930 -14.127 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.139 2.492 -15.636 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.084 1.606 -14.456 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.786 1.181 -18.449 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.577 2.287 -17.789 1.00 0.00 H new ATOM 608 N GLU A 39 7.126 0.030 -16.031 1.00 0.00 N ATOM 609 CA GLU A 39 6.059 0.072 -17.026 1.00 0.00 C ATOM 610 C GLU A 39 4.820 0.761 -16.463 1.00 0.00 C ATOM 611 O GLU A 39 4.704 0.962 -15.255 1.00 0.00 O ATOM 612 CB GLU A 39 5.707 -1.344 -17.486 1.00 0.00 C ATOM 613 CG GLU A 39 6.469 -1.787 -18.725 1.00 0.00 C ATOM 614 CD GLU A 39 5.984 -1.098 -19.985 1.00 0.00 C ATOM 615 OE1 GLU A 39 6.445 0.029 -20.260 1.00 0.00 O ATOM 616 OE2 GLU A 39 5.141 -1.685 -20.696 1.00 0.00 O ATOM 0 H GLU A 39 6.936 -0.579 -15.235 1.00 0.00 H new ATOM 0 HA GLU A 39 6.414 0.646 -17.882 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.912 -2.042 -16.674 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.637 -1.396 -17.689 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.530 -1.580 -18.588 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.367 -2.866 -18.843 1.00 0.00 H new ATOM 623 N THR A 40 3.895 1.118 -17.349 1.00 0.00 N ATOM 624 CA THR A 40 2.665 1.787 -16.941 1.00 0.00 C ATOM 625 C THR A 40 1.624 0.792 -16.418 1.00 0.00 C ATOM 626 O THR A 40 1.069 0.991 -15.338 1.00 0.00 O ATOM 627 CB THR A 40 2.055 2.603 -18.098 1.00 0.00 C ATOM 628 OG1 THR A 40 3.058 3.429 -18.698 1.00 0.00 O ATOM 629 CG2 THR A 40 0.907 3.471 -17.602 1.00 0.00 C ATOM 0 H THR A 40 3.974 0.955 -18.353 1.00 0.00 H new ATOM 0 HA THR A 40 2.937 2.466 -16.133 1.00 0.00 H new ATOM 0 HB THR A 40 1.668 1.905 -18.840 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.662 3.942 -19.433 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.493 4.037 -18.436 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.131 2.837 -17.172 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.274 4.161 -16.842 1.00 0.00 H new ATOM 637 N PRO A 41 1.338 -0.294 -17.169 1.00 0.00 N ATOM 638 CA PRO A 41 0.352 -1.295 -16.749 1.00 0.00 C ATOM 639 C PRO A 41 0.857 -2.169 -15.606 1.00 0.00 C ATOM 640 O PRO A 41 0.078 -2.863 -14.952 1.00 0.00 O ATOM 641 CB PRO A 41 0.142 -2.135 -18.009 1.00 0.00 C ATOM 642 CG PRO A 41 1.425 -2.017 -18.755 1.00 0.00 C ATOM 643 CD PRO A 41 1.943 -0.633 -18.475 1.00 0.00 C ATOM 0 HA PRO A 41 -0.559 -0.832 -16.369 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.079 -3.173 -17.761 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.696 -1.763 -18.599 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.138 -2.774 -18.427 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.270 -2.167 -19.823 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.032 -0.614 -18.430 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.644 0.072 -19.251 1.00 0.00 H new ATOM 651 N TYR A 42 2.164 -2.130 -15.369 1.00 0.00 N ATOM 652 CA TYR A 42 2.771 -2.921 -14.303 1.00 0.00 C ATOM 653 C TYR A 42 2.617 -2.227 -12.953 1.00 0.00 C ATOM 654 O TYR A 42 2.497 -2.883 -11.919 1.00 0.00 O ATOM 655 CB TYR A 42 4.250 -3.167 -14.602 1.00 0.00 C ATOM 656 CG TYR A 42 4.501 -4.396 -15.448 1.00 0.00 C ATOM 657 CD1 TYR A 42 4.185 -4.407 -16.801 1.00 0.00 C ATOM 658 CD2 TYR A 42 5.052 -5.544 -14.894 1.00 0.00 C ATOM 659 CE1 TYR A 42 4.411 -5.528 -17.576 1.00 0.00 C ATOM 660 CE2 TYR A 42 5.282 -6.669 -15.662 1.00 0.00 C ATOM 661 CZ TYR A 42 4.960 -6.655 -17.003 1.00 0.00 C ATOM 662 OH TYR A 42 5.187 -7.774 -17.773 1.00 0.00 O ATOM 0 H TYR A 42 2.823 -1.560 -15.899 1.00 0.00 H new ATOM 0 HA TYR A 42 2.254 -3.880 -14.256 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.659 -2.295 -15.113 1.00 0.00 H new ATOM 0 HB3 TYR A 42 4.790 -3.268 -13.661 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.756 -3.525 -17.254 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.305 -5.558 -13.844 1.00 0.00 H new ATOM 0 HE1 TYR A 42 4.159 -5.521 -18.626 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.711 -7.554 -15.215 1.00 0.00 H new ATOM 0 HH TYR A 42 5.579 -8.480 -17.217 1.00 0.00 H new ATOM 672 N PHE A 43 2.622 -0.898 -12.970 1.00 0.00 N ATOM 673 CA PHE A 43 2.480 -0.121 -11.743 1.00 0.00 C ATOM 674 C PHE A 43 1.014 -0.012 -11.339 1.00 0.00 C ATOM 675 O PHE A 43 0.692 0.172 -10.164 1.00 0.00 O ATOM 676 CB PHE A 43 3.087 1.271 -11.918 1.00 0.00 C ATOM 677 CG PHE A 43 4.483 1.383 -11.375 1.00 0.00 C ATOM 678 CD1 PHE A 43 5.571 0.995 -12.139 1.00 0.00 C ATOM 679 CD2 PHE A 43 4.705 1.872 -10.098 1.00 0.00 C ATOM 680 CE1 PHE A 43 6.856 1.093 -11.640 1.00 0.00 C ATOM 681 CE2 PHE A 43 5.988 1.972 -9.592 1.00 0.00 C ATOM 682 CZ PHE A 43 7.065 1.582 -10.365 1.00 0.00 C ATOM 0 H PHE A 43 2.722 -0.338 -13.816 1.00 0.00 H new ATOM 0 HA PHE A 43 3.018 -0.638 -10.949 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.095 1.526 -12.978 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.451 2.002 -11.420 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.413 0.611 -13.136 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.866 2.179 -9.491 1.00 0.00 H new ATOM 0 HE1 PHE A 43 7.696 0.788 -12.246 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.148 2.354 -8.595 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.068 1.659 -9.973 1.00 0.00 H new ATOM 692 N MET A 44 0.126 -0.128 -12.324 1.00 0.00 N ATOM 693 CA MET A 44 -1.306 -0.057 -12.066 1.00 0.00 C ATOM 694 C MET A 44 -1.728 -1.203 -11.155 1.00 0.00 C ATOM 695 O MET A 44 -2.652 -1.069 -10.349 1.00 0.00 O ATOM 696 CB MET A 44 -2.090 -0.111 -13.379 1.00 0.00 C ATOM 697 CG MET A 44 -2.246 1.243 -14.051 1.00 0.00 C ATOM 698 SD MET A 44 -3.267 1.170 -15.535 1.00 0.00 S ATOM 699 CE MET A 44 -3.192 2.873 -16.081 1.00 0.00 C ATOM 0 H MET A 44 0.374 -0.271 -13.303 1.00 0.00 H new ATOM 0 HA MET A 44 -1.525 0.889 -11.571 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.587 -0.792 -14.065 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.079 -0.527 -13.185 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.688 1.946 -13.345 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.261 1.630 -14.311 1.00 0.00 H new ATOM 0 HE1 MET A 44 -3.778 2.989 -16.993 1.00 0.00 H new ATOM 0 HE2 MET A 44 -3.597 3.522 -15.305 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.155 3.147 -16.278 1.00 0.00 H new ATOM 709 N LYS A 45 -1.038 -2.331 -11.294 1.00 0.00 N ATOM 710 CA LYS A 45 -1.318 -3.507 -10.482 1.00 0.00 C ATOM 711 C LYS A 45 -0.766 -3.321 -9.074 1.00 0.00 C ATOM 712 O LYS A 45 -1.294 -3.880 -8.109 1.00 0.00 O ATOM 713 CB LYS A 45 -0.708 -4.755 -11.124 1.00 0.00 C ATOM 714 CG LYS A 45 -1.377 -6.049 -10.690 1.00 0.00 C ATOM 715 CD LYS A 45 -2.155 -6.683 -11.831 1.00 0.00 C ATOM 716 CE LYS A 45 -2.891 -7.932 -11.377 1.00 0.00 C ATOM 717 NZ LYS A 45 -1.958 -8.964 -10.845 1.00 0.00 N ATOM 0 H LYS A 45 -0.279 -2.454 -11.964 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.399 -3.636 -10.422 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.776 -4.666 -12.208 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.352 -4.802 -10.874 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.622 -6.748 -10.331 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.050 -5.850 -9.856 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.870 -5.963 -12.230 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.472 -6.936 -12.642 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.616 -7.667 -10.607 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.452 -8.347 -12.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.403 -9.902 -10.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.080 -8.958 -11.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.739 -8.754 -9.850 1.00 0.00 H new ATOM 731 N SER A 46 0.295 -2.523 -8.960 1.00 0.00 N ATOM 732 CA SER A 46 0.909 -2.254 -7.667 1.00 0.00 C ATOM 733 C SER A 46 -0.089 -1.547 -6.765 1.00 0.00 C ATOM 734 O SER A 46 -0.288 -1.936 -5.613 1.00 0.00 O ATOM 735 CB SER A 46 2.165 -1.398 -7.839 1.00 0.00 C ATOM 736 OG SER A 46 2.953 -1.858 -8.922 1.00 0.00 O ATOM 0 H SER A 46 0.744 -2.054 -9.747 1.00 0.00 H new ATOM 0 HA SER A 46 1.199 -3.200 -7.209 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.880 -0.360 -8.008 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.753 -1.422 -6.922 1.00 0.00 H new ATOM 0 HG SER A 46 3.732 -1.274 -9.031 1.00 0.00 H new ATOM 742 N ILE A 47 -0.711 -0.500 -7.297 1.00 0.00 N ATOM 743 CA ILE A 47 -1.713 0.245 -6.553 1.00 0.00 C ATOM 744 C ILE A 47 -2.868 -0.675 -6.189 1.00 0.00 C ATOM 745 O ILE A 47 -3.427 -0.590 -5.096 1.00 0.00 O ATOM 746 CB ILE A 47 -2.253 1.441 -7.359 1.00 0.00 C ATOM 747 CG1 ILE A 47 -1.102 2.217 -8.001 1.00 0.00 C ATOM 748 CG2 ILE A 47 -3.079 2.353 -6.465 1.00 0.00 C ATOM 749 CD1 ILE A 47 -1.518 3.020 -9.214 1.00 0.00 C ATOM 0 H ILE A 47 -0.537 -0.151 -8.239 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.237 0.631 -5.652 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.896 1.062 -8.153 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.670 2.890 -7.260 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.319 1.516 -8.290 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.453 3.193 -7.049 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.919 1.795 -6.053 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.457 2.726 -5.651 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.652 3.544 -9.618 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.923 2.350 -9.973 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.280 3.745 -8.927 1.00 0.00 H new ATOM 761 N ASP A 48 -3.224 -1.555 -7.124 1.00 0.00 N ATOM 762 CA ASP A 48 -4.300 -2.510 -6.896 1.00 0.00 C ATOM 763 C ASP A 48 -3.943 -3.436 -5.740 1.00 0.00 C ATOM 764 O ASP A 48 -4.819 -3.960 -5.048 1.00 0.00 O ATOM 765 CB ASP A 48 -4.565 -3.328 -8.161 1.00 0.00 C ATOM 766 CG ASP A 48 -6.045 -3.460 -8.465 1.00 0.00 C ATOM 767 OD1 ASP A 48 -6.613 -2.526 -9.069 1.00 0.00 O ATOM 768 OD2 ASP A 48 -6.637 -4.497 -8.099 1.00 0.00 O ATOM 0 H ASP A 48 -2.784 -1.624 -8.041 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.205 -1.959 -6.642 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.064 -2.857 -9.007 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.131 -4.321 -8.046 1.00 0.00 H new ATOM 773 N CYS A 49 -2.643 -3.626 -5.535 1.00 0.00 N ATOM 774 CA CYS A 49 -2.153 -4.477 -4.460 1.00 0.00 C ATOM 775 C CYS A 49 -2.171 -3.720 -3.138 1.00 0.00 C ATOM 776 O CYS A 49 -2.509 -4.278 -2.093 1.00 0.00 O ATOM 777 CB CYS A 49 -0.735 -4.965 -4.765 1.00 0.00 C ATOM 778 SG CYS A 49 -0.643 -6.180 -6.101 1.00 0.00 S ATOM 0 H CYS A 49 -1.910 -3.200 -6.102 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.810 -5.343 -4.381 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.115 -4.107 -5.026 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.311 -5.402 -3.861 1.00 0.00 H new ATOM 0 HG CYS A 49 -0.877 -5.594 -7.238 1.00 0.00 H new ATOM 784 N ILE A 50 -1.801 -2.442 -3.190 1.00 0.00 N ATOM 785 CA ILE A 50 -1.787 -1.605 -2.000 1.00 0.00 C ATOM 786 C ILE A 50 -3.208 -1.310 -1.533 1.00 0.00 C ATOM 787 O ILE A 50 -3.446 -1.082 -0.350 1.00 0.00 O ATOM 788 CB ILE A 50 -1.030 -0.277 -2.246 1.00 0.00 C ATOM 789 CG1 ILE A 50 -0.306 0.171 -0.975 1.00 0.00 C ATOM 790 CG2 ILE A 50 -1.977 0.815 -2.731 1.00 0.00 C ATOM 791 CD1 ILE A 50 0.783 1.191 -1.228 1.00 0.00 C ATOM 0 H ILE A 50 -1.508 -1.967 -4.044 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.261 -2.158 -1.221 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.290 -0.453 -3.027 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.034 0.593 -0.281 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.130 -0.701 -0.488 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.417 1.736 -2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.444 0.503 -3.665 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.748 0.988 -1.980 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.253 1.463 -0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.531 0.766 -1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.350 2.080 -1.687 1.00 0.00 H new ATOM 803 N ARG A 51 -4.150 -1.315 -2.474 1.00 0.00 N ATOM 804 CA ARG A 51 -5.551 -1.053 -2.157 1.00 0.00 C ATOM 805 C ARG A 51 -6.180 -2.260 -1.469 1.00 0.00 C ATOM 806 O ARG A 51 -7.056 -2.115 -0.614 1.00 0.00 O ATOM 807 CB ARG A 51 -6.331 -0.714 -3.429 1.00 0.00 C ATOM 808 CG ARG A 51 -6.234 0.751 -3.828 1.00 0.00 C ATOM 809 CD ARG A 51 -7.576 1.454 -3.692 1.00 0.00 C ATOM 810 NE ARG A 51 -7.559 2.785 -4.291 1.00 0.00 N ATOM 811 CZ ARG A 51 -8.620 3.355 -4.854 1.00 0.00 C ATOM 812 NH1 ARG A 51 -9.779 2.712 -4.894 1.00 0.00 N ATOM 813 NH2 ARG A 51 -8.522 4.570 -5.378 1.00 0.00 N ATOM 0 H ARG A 51 -3.968 -1.497 -3.461 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.593 -0.201 -1.478 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.961 -1.331 -4.248 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.379 -0.974 -3.283 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.495 1.252 -3.203 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.885 0.827 -4.858 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.350 0.852 -4.168 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.838 1.534 -2.637 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.683 3.308 -4.277 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.858 1.778 -4.492 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.591 3.152 -5.327 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.632 5.068 -5.349 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.337 5.006 -5.810 1.00 0.00 H new ATOM 827 N ALA A 52 -5.721 -3.449 -1.844 1.00 0.00 N ATOM 828 CA ALA A 52 -6.231 -4.680 -1.259 1.00 0.00 C ATOM 829 C ALA A 52 -5.645 -4.882 0.131 1.00 0.00 C ATOM 830 O ALA A 52 -6.310 -5.397 1.032 1.00 0.00 O ATOM 831 CB ALA A 52 -5.907 -5.868 -2.152 1.00 0.00 C ATOM 0 H ALA A 52 -4.997 -3.585 -2.550 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.315 -4.603 -1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.296 -6.780 -1.699 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.366 -5.724 -3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.826 -5.952 -2.268 1.00 0.00 H new ATOM 837 N PHE A 53 -4.391 -4.471 0.294 1.00 0.00 N ATOM 838 CA PHE A 53 -3.706 -4.594 1.574 1.00 0.00 C ATOM 839 C PHE A 53 -4.141 -3.491 2.534 1.00 0.00 C ATOM 840 O PHE A 53 -4.475 -3.756 3.688 1.00 0.00 O ATOM 841 CB PHE A 53 -2.190 -4.543 1.373 1.00 0.00 C ATOM 842 CG PHE A 53 -1.411 -4.968 2.585 1.00 0.00 C ATOM 843 CD1 PHE A 53 -1.272 -6.310 2.898 1.00 0.00 C ATOM 844 CD2 PHE A 53 -0.821 -4.026 3.412 1.00 0.00 C ATOM 845 CE1 PHE A 53 -0.557 -6.706 4.013 1.00 0.00 C ATOM 846 CE2 PHE A 53 -0.105 -4.414 4.528 1.00 0.00 C ATOM 847 CZ PHE A 53 0.027 -5.756 4.829 1.00 0.00 C ATOM 0 H PHE A 53 -3.829 -4.050 -0.446 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.975 -5.556 2.010 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.921 -5.185 0.534 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.901 -3.527 1.103 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.728 -7.056 2.264 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.922 -2.976 3.181 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.455 -7.756 4.246 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.351 -3.670 5.164 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.586 -6.062 5.701 1.00 0.00 H new ATOM 857 N ARG A 54 -4.122 -2.251 2.052 1.00 0.00 N ATOM 858 CA ARG A 54 -4.517 -1.102 2.865 1.00 0.00 C ATOM 859 C ARG A 54 -5.899 -1.306 3.477 1.00 0.00 C ATOM 860 O ARG A 54 -6.206 -0.756 4.531 1.00 0.00 O ATOM 861 CB ARG A 54 -4.516 0.175 2.021 1.00 0.00 C ATOM 862 CG ARG A 54 -4.475 1.456 2.839 1.00 0.00 C ATOM 863 CD ARG A 54 -5.872 1.977 3.131 1.00 0.00 C ATOM 864 NE ARG A 54 -6.235 3.092 2.259 1.00 0.00 N ATOM 865 CZ ARG A 54 -7.362 3.787 2.380 1.00 0.00 C ATOM 866 NH1 ARG A 54 -8.233 3.484 3.334 1.00 0.00 N ATOM 867 NH2 ARG A 54 -7.620 4.786 1.546 1.00 0.00 N ATOM 0 H ARG A 54 -3.837 -2.015 1.101 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.791 -1.004 3.672 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.656 0.155 1.352 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.407 0.185 1.394 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.951 1.273 3.777 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.908 2.215 2.300 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.593 1.169 3.006 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.929 2.297 4.171 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.587 3.352 1.515 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.039 2.716 3.977 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.097 4.019 3.425 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.953 5.022 0.811 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.485 5.318 1.640 1.00 0.00 H new ATOM 881 N GLU A 55 -6.730 -2.096 2.810 1.00 0.00 N ATOM 882 CA GLU A 55 -8.080 -2.357 3.291 1.00 0.00 C ATOM 883 C GLU A 55 -8.111 -3.507 4.293 1.00 0.00 C ATOM 884 O GLU A 55 -8.584 -3.350 5.418 1.00 0.00 O ATOM 885 CB GLU A 55 -9.008 -2.669 2.116 1.00 0.00 C ATOM 886 CG GLU A 55 -10.483 -2.514 2.448 1.00 0.00 C ATOM 887 CD GLU A 55 -11.386 -2.965 1.316 1.00 0.00 C ATOM 888 OE1 GLU A 55 -11.578 -2.182 0.362 1.00 0.00 O ATOM 889 OE2 GLU A 55 -11.902 -4.100 1.385 1.00 0.00 O ATOM 0 H GLU A 55 -6.494 -2.566 1.936 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.426 -1.458 3.801 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.760 -2.010 1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.825 -3.690 1.780 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.713 -3.092 3.343 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.692 -1.470 2.680 1.00 0.00 H new ATOM 896 N GLU A 56 -7.588 -4.659 3.886 1.00 0.00 N ATOM 897 CA GLU A 56 -7.586 -5.846 4.739 1.00 0.00 C ATOM 898 C GLU A 56 -6.707 -5.668 5.976 1.00 0.00 C ATOM 899 O GLU A 56 -6.944 -6.299 7.008 1.00 0.00 O ATOM 900 CB GLU A 56 -7.113 -7.063 3.943 1.00 0.00 C ATOM 901 CG GLU A 56 -8.150 -7.592 2.966 1.00 0.00 C ATOM 902 CD GLU A 56 -8.595 -9.002 3.294 1.00 0.00 C ATOM 903 OE1 GLU A 56 -7.722 -9.887 3.417 1.00 0.00 O ATOM 904 OE2 GLU A 56 -9.818 -9.224 3.429 1.00 0.00 O ATOM 0 H GLU A 56 -7.160 -4.798 2.971 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.610 -6.000 5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.210 -6.798 3.393 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.842 -7.858 4.638 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.017 -6.931 2.970 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.737 -7.571 1.957 1.00 0.00 H new ATOM 911 N ALA A 57 -5.701 -4.807 5.876 1.00 0.00 N ATOM 912 CA ALA A 57 -4.783 -4.575 6.987 1.00 0.00 C ATOM 913 C ALA A 57 -5.305 -3.507 7.942 1.00 0.00 C ATOM 914 O ALA A 57 -5.527 -3.773 9.126 1.00 0.00 O ATOM 915 CB ALA A 57 -3.410 -4.184 6.463 1.00 0.00 C ATOM 0 H ALA A 57 -5.500 -4.259 5.040 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.703 -5.507 7.546 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.735 -4.014 7.302 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.017 -4.986 5.838 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.492 -3.271 5.873 1.00 0.00 H new ATOM 921 N ILE A 58 -5.501 -2.298 7.422 1.00 0.00 N ATOM 922 CA ILE A 58 -5.979 -1.188 8.236 1.00 0.00 C ATOM 923 C ILE A 58 -7.288 -1.538 8.934 1.00 0.00 C ATOM 924 O ILE A 58 -7.481 -1.205 10.104 1.00 0.00 O ATOM 925 CB ILE A 58 -6.169 0.094 7.394 1.00 0.00 C ATOM 926 CG1 ILE A 58 -4.823 0.787 7.169 1.00 0.00 C ATOM 927 CG2 ILE A 58 -7.145 1.047 8.070 1.00 0.00 C ATOM 928 CD1 ILE A 58 -3.869 0.010 6.287 1.00 0.00 C ATOM 0 H ILE A 58 -5.336 -2.064 6.443 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.215 -0.999 8.990 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.584 -0.192 6.427 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.000 1.765 6.722 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.349 0.960 8.135 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.262 1.942 7.459 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.112 0.557 8.185 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.761 1.326 9.051 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.939 0.568 6.177 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.659 -0.958 6.742 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.321 -0.140 5.306 1.00 0.00 H new ATOM 940 N LYS A 59 -8.183 -2.210 8.216 1.00 0.00 N ATOM 941 CA LYS A 59 -9.468 -2.601 8.783 1.00 0.00 C ATOM 942 C LYS A 59 -9.268 -3.328 10.108 1.00 0.00 C ATOM 943 O LYS A 59 -9.929 -3.016 11.099 1.00 0.00 O ATOM 944 CB LYS A 59 -10.247 -3.481 7.807 1.00 0.00 C ATOM 945 CG LYS A 59 -11.103 -2.692 6.829 1.00 0.00 C ATOM 946 CD LYS A 59 -11.944 -3.612 5.958 1.00 0.00 C ATOM 947 CE LYS A 59 -13.156 -2.891 5.391 1.00 0.00 C ATOM 948 NZ LYS A 59 -13.982 -3.785 4.533 1.00 0.00 N ATOM 0 H LYS A 59 -8.043 -2.493 7.246 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.048 -1.696 8.966 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.545 -4.098 7.247 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.887 -4.159 8.372 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.755 -2.014 7.379 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.462 -2.076 6.198 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.334 -3.998 5.141 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.272 -4.470 6.545 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.766 -2.508 6.209 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.827 -2.031 4.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.799 -3.256 4.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.408 -4.131 3.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.317 -4.593 5.095 1.00 0.00 H new ATOM 962 N PHE A 60 -8.352 -4.298 10.126 1.00 0.00 N ATOM 963 CA PHE A 60 -8.068 -5.049 11.348 1.00 0.00 C ATOM 964 C PHE A 60 -6.861 -5.965 11.167 1.00 0.00 C ATOM 965 O PHE A 60 -6.999 -7.135 10.816 1.00 0.00 O ATOM 966 CB PHE A 60 -9.295 -5.862 11.800 1.00 0.00 C ATOM 967 CG PHE A 60 -9.869 -6.777 10.749 1.00 0.00 C ATOM 968 CD1 PHE A 60 -10.648 -6.274 9.722 1.00 0.00 C ATOM 969 CD2 PHE A 60 -9.634 -8.143 10.797 1.00 0.00 C ATOM 970 CE1 PHE A 60 -11.181 -7.111 8.761 1.00 0.00 C ATOM 971 CE2 PHE A 60 -10.164 -8.985 9.839 1.00 0.00 C ATOM 972 CZ PHE A 60 -10.938 -8.469 8.819 1.00 0.00 C ATOM 0 H PHE A 60 -7.799 -4.579 9.316 1.00 0.00 H new ATOM 0 HA PHE A 60 -7.832 -4.324 12.127 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.018 -6.459 12.669 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.073 -5.170 12.123 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -10.842 -5.213 9.671 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -9.030 -8.553 11.593 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -11.787 -6.704 7.965 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -9.973 -10.047 9.888 1.00 0.00 H new ATOM 0 HZ PHE A 60 -11.352 -9.126 8.068 1.00 0.00 H new ATOM 982 N SER A 61 -5.670 -5.422 11.408 1.00 0.00 N ATOM 983 CA SER A 61 -4.445 -6.201 11.275 1.00 0.00 C ATOM 984 C SER A 61 -3.227 -5.409 11.733 1.00 0.00 C ATOM 985 O SER A 61 -2.939 -5.333 12.928 1.00 0.00 O ATOM 986 CB SER A 61 -4.261 -6.670 9.830 1.00 0.00 C ATOM 987 OG SER A 61 -4.554 -8.050 9.701 1.00 0.00 O ATOM 0 H SER A 61 -5.529 -4.453 11.694 1.00 0.00 H new ATOM 0 HA SER A 61 -4.538 -7.075 11.920 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.911 -6.094 9.172 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.236 -6.481 9.511 1.00 0.00 H new ATOM 0 HG SER A 61 -5.456 -8.226 10.041 1.00 0.00 H new ATOM 993 N GLU A 62 -2.513 -4.820 10.781 1.00 0.00 N ATOM 994 CA GLU A 62 -1.317 -4.053 11.100 1.00 0.00 C ATOM 995 C GLU A 62 -1.306 -2.721 10.362 1.00 0.00 C ATOM 996 O GLU A 62 -0.464 -2.487 9.498 1.00 0.00 O ATOM 997 CB GLU A 62 -0.064 -4.856 10.749 1.00 0.00 C ATOM 998 CG GLU A 62 0.316 -5.880 11.805 1.00 0.00 C ATOM 999 CD GLU A 62 1.565 -6.658 11.441 1.00 0.00 C ATOM 1000 OE1 GLU A 62 2.676 -6.152 11.700 1.00 0.00 O ATOM 1001 OE2 GLU A 62 1.431 -7.774 10.896 1.00 0.00 O ATOM 0 H GLU A 62 -2.740 -4.859 9.787 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.323 -3.850 12.171 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.224 -5.367 9.800 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.770 -4.169 10.604 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.473 -5.373 12.757 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.512 -6.575 11.946 1.00 0.00 H new ATOM 1008 N GLU A 63 -2.260 -1.862 10.693 1.00 0.00 N ATOM 1009 CA GLU A 63 -2.350 -0.542 10.074 1.00 0.00 C ATOM 1010 C GLU A 63 -1.023 0.214 10.182 1.00 0.00 C ATOM 1011 O GLU A 63 -0.648 0.962 9.277 1.00 0.00 O ATOM 1012 CB GLU A 63 -3.466 0.274 10.729 1.00 0.00 C ATOM 1013 CG GLU A 63 -3.411 0.271 12.248 1.00 0.00 C ATOM 1014 CD GLU A 63 -4.782 0.396 12.884 1.00 0.00 C ATOM 1015 OE1 GLU A 63 -5.771 -0.033 12.252 1.00 0.00 O ATOM 1016 OE2 GLU A 63 -4.868 0.921 14.013 1.00 0.00 O ATOM 0 H GLU A 63 -2.983 -2.053 11.386 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.578 -0.683 9.017 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.409 1.303 10.374 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.430 -0.121 10.408 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.940 -0.651 12.588 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.782 1.094 12.586 1.00 0.00 H new ATOM 1023 N GLN A 64 -0.314 0.010 11.291 1.00 0.00 N ATOM 1024 CA GLN A 64 0.968 0.675 11.521 1.00 0.00 C ATOM 1025 C GLN A 64 2.011 0.228 10.501 1.00 0.00 C ATOM 1026 O GLN A 64 3.024 0.901 10.294 1.00 0.00 O ATOM 1027 CB GLN A 64 1.467 0.384 12.936 1.00 0.00 C ATOM 1028 CG GLN A 64 0.535 0.888 14.025 1.00 0.00 C ATOM 1029 CD GLN A 64 1.085 0.658 15.418 1.00 0.00 C ATOM 1030 OE1 GLN A 64 0.538 -0.127 16.193 1.00 0.00 O ATOM 1031 NE2 GLN A 64 2.175 1.343 15.745 1.00 0.00 N ATOM 0 H GLN A 64 -0.606 -0.611 12.045 1.00 0.00 H new ATOM 0 HA GLN A 64 0.815 1.748 11.407 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.599 -0.692 13.052 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.447 0.842 13.068 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.357 1.954 13.881 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.429 0.388 13.932 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.596 1.983 15.072 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.591 1.229 16.669 1.00 0.00 H new ATOM 1040 N ARG A 65 1.755 -0.909 9.866 1.00 0.00 N ATOM 1041 CA ARG A 65 2.666 -1.444 8.863 1.00 0.00 C ATOM 1042 C ARG A 65 2.539 -0.648 7.569 1.00 0.00 C ATOM 1043 O ARG A 65 3.431 -0.668 6.717 1.00 0.00 O ATOM 1044 CB ARG A 65 2.369 -2.925 8.607 1.00 0.00 C ATOM 1045 CG ARG A 65 3.135 -3.509 7.433 1.00 0.00 C ATOM 1046 CD ARG A 65 2.772 -4.965 7.199 1.00 0.00 C ATOM 1047 NE ARG A 65 3.951 -5.789 6.949 1.00 0.00 N ATOM 1048 CZ ARG A 65 4.421 -6.688 7.811 1.00 0.00 C ATOM 1049 NH1 ARG A 65 3.813 -6.876 8.975 1.00 0.00 N ATOM 1050 NH2 ARG A 65 5.498 -7.397 7.509 1.00 0.00 N ATOM 0 H ARG A 65 0.924 -1.478 10.028 1.00 0.00 H new ATOM 0 HA ARG A 65 3.687 -1.357 9.233 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.609 -3.495 9.505 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.301 -3.046 8.428 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.921 -2.931 6.534 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.206 -3.425 7.618 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.238 -5.350 8.068 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.092 -5.037 6.350 1.00 0.00 H new ATOM 0 HE ARG A 65 4.443 -5.669 6.063 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.984 -6.331 9.211 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.175 -7.565 9.634 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.968 -7.254 6.615 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.857 -8.086 8.170 1.00 0.00 H new ATOM 1064 N PHE A 66 1.431 0.077 7.444 1.00 0.00 N ATOM 1065 CA PHE A 66 1.183 0.887 6.263 1.00 0.00 C ATOM 1066 C PHE A 66 1.809 2.262 6.441 1.00 0.00 C ATOM 1067 O PHE A 66 2.501 2.755 5.552 1.00 0.00 O ATOM 1068 CB PHE A 66 -0.314 1.013 5.984 1.00 0.00 C ATOM 1069 CG PHE A 66 -0.615 1.278 4.538 1.00 0.00 C ATOM 1070 CD1 PHE A 66 -0.519 2.559 4.024 1.00 0.00 C ATOM 1071 CD2 PHE A 66 -0.982 0.245 3.690 1.00 0.00 C ATOM 1072 CE1 PHE A 66 -0.788 2.809 2.694 1.00 0.00 C ATOM 1073 CE2 PHE A 66 -1.248 0.490 2.358 1.00 0.00 C ATOM 1074 CZ PHE A 66 -1.152 1.775 1.860 1.00 0.00 C ATOM 0 H PHE A 66 0.693 0.118 8.147 1.00 0.00 H new ATOM 0 HA PHE A 66 1.640 0.394 5.405 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.815 0.096 6.293 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.725 1.820 6.590 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.230 3.373 4.672 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.061 -0.761 4.075 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.713 3.815 2.307 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.531 -0.323 1.705 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.362 1.969 0.818 1.00 0.00 H new ATOM 1084 N ASN A 67 1.554 2.885 7.592 1.00 0.00 N ATOM 1085 CA ASN A 67 2.139 4.187 7.885 1.00 0.00 C ATOM 1086 C ASN A 67 3.650 4.033 7.961 1.00 0.00 C ATOM 1087 O ASN A 67 4.404 5.003 7.860 1.00 0.00 O ATOM 1088 CB ASN A 67 1.593 4.765 9.195 1.00 0.00 C ATOM 1089 CG ASN A 67 1.196 3.707 10.192 1.00 0.00 C ATOM 1090 OD1 ASN A 67 2.018 3.259 10.989 1.00 0.00 O ATOM 1091 ND2 ASN A 67 -0.073 3.316 10.164 1.00 0.00 N ATOM 0 H ASN A 67 0.953 2.512 8.327 1.00 0.00 H new ATOM 0 HA ASN A 67 1.873 4.884 7.091 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.349 5.411 9.642 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.728 5.391 8.976 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.405 2.613 10.824 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.716 3.719 9.482 1.00 0.00 H new ATOM 1098 N ASN A 68 4.073 2.785 8.138 1.00 0.00 N ATOM 1099 CA ASN A 68 5.491 2.462 8.208 1.00 0.00 C ATOM 1100 C ASN A 68 6.088 2.513 6.806 1.00 0.00 C ATOM 1101 O ASN A 68 7.038 3.254 6.543 1.00 0.00 O ATOM 1102 CB ASN A 68 5.696 1.077 8.822 1.00 0.00 C ATOM 1103 CG ASN A 68 7.129 0.594 8.700 1.00 0.00 C ATOM 1104 OD1 ASN A 68 7.537 0.084 7.657 1.00 0.00 O ATOM 1105 ND2 ASN A 68 7.899 0.753 9.769 1.00 0.00 N ATOM 0 H ASN A 68 3.452 1.982 8.235 1.00 0.00 H new ATOM 0 HA ASN A 68 5.994 3.192 8.843 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.413 1.104 9.874 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.033 0.364 8.332 1.00 0.00 H new ATOM 0 HD21 ASN A 68 8.872 0.447 9.747 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.518 1.181 10.613 1.00 0.00 H new ATOM 1112 N PHE A 69 5.517 1.710 5.912 1.00 0.00 N ATOM 1113 CA PHE A 69 5.964 1.661 4.525 1.00 0.00 C ATOM 1114 C PHE A 69 5.715 2.990 3.814 1.00 0.00 C ATOM 1115 O PHE A 69 6.449 3.354 2.895 1.00 0.00 O ATOM 1116 CB PHE A 69 5.250 0.531 3.780 1.00 0.00 C ATOM 1117 CG PHE A 69 5.991 0.052 2.564 1.00 0.00 C ATOM 1118 CD1 PHE A 69 6.958 -0.935 2.671 1.00 0.00 C ATOM 1119 CD2 PHE A 69 5.721 0.587 1.316 1.00 0.00 C ATOM 1120 CE1 PHE A 69 7.641 -1.379 1.555 1.00 0.00 C ATOM 1121 CE2 PHE A 69 6.401 0.148 0.196 1.00 0.00 C ATOM 1122 CZ PHE A 69 7.362 -0.836 0.316 1.00 0.00 C ATOM 0 H PHE A 69 4.741 1.083 6.126 1.00 0.00 H new ATOM 0 HA PHE A 69 7.037 1.472 4.526 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.105 -0.308 4.461 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.259 0.873 3.481 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.180 -1.362 3.638 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.970 1.357 1.217 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.392 -2.149 1.651 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.181 0.574 -0.772 1.00 0.00 H new ATOM 0 HZ PHE A 69 7.895 -1.181 -0.558 1.00 0.00 H new ATOM 1132 N LEU A 70 4.677 3.710 4.238 1.00 0.00 N ATOM 1133 CA LEU A 70 4.343 4.999 3.632 1.00 0.00 C ATOM 1134 C LEU A 70 5.432 6.023 3.924 1.00 0.00 C ATOM 1135 O LEU A 70 5.926 6.692 3.015 1.00 0.00 O ATOM 1136 CB LEU A 70 2.990 5.518 4.143 1.00 0.00 C ATOM 1137 CG LEU A 70 1.748 5.030 3.381 1.00 0.00 C ATOM 1138 CD1 LEU A 70 0.538 5.893 3.717 1.00 0.00 C ATOM 1139 CD2 LEU A 70 1.987 5.029 1.876 1.00 0.00 C ATOM 0 H LEU A 70 4.055 3.425 4.995 1.00 0.00 H new ATOM 0 HA LEU A 70 4.271 4.851 2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.885 5.231 5.189 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.006 6.607 4.111 1.00 0.00 H new ATOM 0 HG LEU A 70 1.550 4.005 3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.331 5.531 3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.339 5.839 4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.740 6.927 3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.090 4.679 1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.222 6.040 1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.820 4.367 1.640 1.00 0.00 H new ATOM 1151 N LYS A 71 5.792 6.155 5.196 1.00 0.00 N ATOM 1152 CA LYS A 71 6.833 7.092 5.603 1.00 0.00 C ATOM 1153 C LYS A 71 8.113 6.849 4.813 1.00 0.00 C ATOM 1154 O LYS A 71 8.777 7.792 4.375 1.00 0.00 O ATOM 1155 CB LYS A 71 7.110 6.965 7.101 1.00 0.00 C ATOM 1156 CG LYS A 71 6.220 7.844 7.962 1.00 0.00 C ATOM 1157 CD LYS A 71 6.582 7.730 9.434 1.00 0.00 C ATOM 1158 CE LYS A 71 5.546 8.407 10.316 1.00 0.00 C ATOM 1159 NZ LYS A 71 5.829 8.204 11.764 1.00 0.00 N ATOM 0 H LYS A 71 5.378 5.625 5.963 1.00 0.00 H new ATOM 0 HA LYS A 71 6.482 8.103 5.395 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.977 5.925 7.399 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.152 7.220 7.292 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.313 8.882 7.643 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.178 7.559 7.819 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.664 6.679 9.709 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.559 8.182 9.606 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.525 9.475 10.097 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.557 8.014 10.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.099 8.681 12.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.824 7.187 11.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.762 8.602 11.995 1.00 0.00 H new ATOM 1173 N ALA A 72 8.457 5.576 4.633 1.00 0.00 N ATOM 1174 CA ALA A 72 9.660 5.212 3.889 1.00 0.00 C ATOM 1175 C ALA A 72 9.477 5.475 2.398 1.00 0.00 C ATOM 1176 O ALA A 72 10.366 6.016 1.735 1.00 0.00 O ATOM 1177 CB ALA A 72 10.009 3.751 4.132 1.00 0.00 C ATOM 0 H ALA A 72 7.923 4.783 4.990 1.00 0.00 H new ATOM 0 HA ALA A 72 10.483 5.832 4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.908 3.493 3.571 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.187 3.591 5.196 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.183 3.120 3.803 1.00 0.00 H new ATOM 1183 N LEU A 73 8.315 5.089 1.881 1.00 0.00 N ATOM 1184 CA LEU A 73 7.999 5.280 0.471 1.00 0.00 C ATOM 1185 C LEU A 73 8.041 6.758 0.115 1.00 0.00 C ATOM 1186 O LEU A 73 8.449 7.130 -0.983 1.00 0.00 O ATOM 1187 CB LEU A 73 6.617 4.703 0.154 1.00 0.00 C ATOM 1188 CG LEU A 73 6.258 4.655 -1.331 1.00 0.00 C ATOM 1189 CD1 LEU A 73 6.826 3.400 -1.975 1.00 0.00 C ATOM 1190 CD2 LEU A 73 4.749 4.714 -1.514 1.00 0.00 C ATOM 0 H LEU A 73 7.574 4.640 2.420 1.00 0.00 H new ATOM 0 HA LEU A 73 8.745 4.754 -0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.561 3.692 0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.865 5.296 0.674 1.00 0.00 H new ATOM 0 HG LEU A 73 6.699 5.522 -1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.561 3.382 -3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.911 3.398 -1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.413 2.520 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.510 4.679 -2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.288 3.865 -1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.367 5.641 -1.086 1.00 0.00 H new ATOM 1202 N GLN A 74 7.608 7.593 1.051 1.00 0.00 N ATOM 1203 CA GLN A 74 7.604 9.036 0.852 1.00 0.00 C ATOM 1204 C GLN A 74 9.028 9.557 0.714 1.00 0.00 C ATOM 1205 O GLN A 74 9.365 10.237 -0.258 1.00 0.00 O ATOM 1206 CB GLN A 74 6.901 9.733 2.019 1.00 0.00 C ATOM 1207 CG GLN A 74 6.295 11.076 1.648 1.00 0.00 C ATOM 1208 CD GLN A 74 7.041 12.243 2.262 1.00 0.00 C ATOM 1209 OE1 GLN A 74 7.421 12.205 3.433 1.00 0.00 O ATOM 1210 NE2 GLN A 74 7.257 13.289 1.473 1.00 0.00 N ATOM 0 H GLN A 74 7.254 7.294 1.959 1.00 0.00 H new ATOM 0 HA GLN A 74 7.060 9.255 -0.067 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.115 9.082 2.400 1.00 0.00 H new ATOM 0 HB3 GLN A 74 7.616 9.877 2.829 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.293 11.182 0.563 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.255 11.103 1.973 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.924 13.278 0.509 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.755 14.104 1.831 1.00 0.00 H new ATOM 1219 N GLU A 75 9.857 9.248 1.706 1.00 0.00 N ATOM 1220 CA GLU A 75 11.252 9.677 1.697 1.00 0.00 C ATOM 1221 C GLU A 75 11.958 9.258 0.410 1.00 0.00 C ATOM 1222 O GLU A 75 12.835 9.969 -0.087 1.00 0.00 O ATOM 1223 CB GLU A 75 11.990 9.097 2.905 1.00 0.00 C ATOM 1224 CG GLU A 75 11.939 9.990 4.135 1.00 0.00 C ATOM 1225 CD GLU A 75 12.686 9.402 5.315 1.00 0.00 C ATOM 1226 OE1 GLU A 75 12.113 8.535 6.008 1.00 0.00 O ATOM 1227 OE2 GLU A 75 13.844 9.806 5.546 1.00 0.00 O ATOM 0 H GLU A 75 9.588 8.703 2.525 1.00 0.00 H new ATOM 0 HA GLU A 75 11.265 10.766 1.751 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.559 8.127 3.152 1.00 0.00 H new ATOM 0 HB3 GLU A 75 13.032 8.923 2.635 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.363 10.964 3.890 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.899 10.157 4.415 1.00 0.00 H new ATOM 1234 N LYS A 76 11.564 8.110 -0.138 1.00 0.00 N ATOM 1235 CA LYS A 76 12.177 7.598 -1.359 1.00 0.00 C ATOM 1236 C LYS A 76 11.576 8.272 -2.584 1.00 0.00 C ATOM 1237 O LYS A 76 12.285 8.882 -3.390 1.00 0.00 O ATOM 1238 CB LYS A 76 11.994 6.082 -1.453 1.00 0.00 C ATOM 1239 CG LYS A 76 13.030 5.294 -0.669 1.00 0.00 C ATOM 1240 CD LYS A 76 12.837 3.796 -0.841 1.00 0.00 C ATOM 1241 CE LYS A 76 13.664 3.010 0.164 1.00 0.00 C ATOM 1242 NZ LYS A 76 13.312 1.564 0.162 1.00 0.00 N ATOM 0 H LYS A 76 10.825 7.519 0.244 1.00 0.00 H new ATOM 0 HA LYS A 76 13.243 7.823 -1.325 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.000 5.821 -1.089 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.039 5.783 -2.500 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.030 5.574 -1.001 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.962 5.552 0.388 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.783 3.547 -0.720 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.119 3.505 -1.853 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.723 3.126 -0.067 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.509 3.420 1.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.898 1.063 0.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.308 1.451 0.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.484 1.166 -0.783 1.00 0.00 H new ATOM 1256 N VAL A 77 10.259 8.152 -2.712 1.00 0.00 N ATOM 1257 CA VAL A 77 9.538 8.750 -3.824 1.00 0.00 C ATOM 1258 C VAL A 77 9.882 10.226 -3.947 1.00 0.00 C ATOM 1259 O VAL A 77 9.891 10.786 -5.043 1.00 0.00 O ATOM 1260 CB VAL A 77 8.016 8.586 -3.653 1.00 0.00 C ATOM 1261 CG1 VAL A 77 7.492 9.475 -2.538 1.00 0.00 C ATOM 1262 CG2 VAL A 77 7.302 8.889 -4.952 1.00 0.00 C ATOM 0 H VAL A 77 9.669 7.643 -2.054 1.00 0.00 H new ATOM 0 HA VAL A 77 9.842 8.232 -4.733 1.00 0.00 H new ATOM 0 HB VAL A 77 7.817 7.550 -3.379 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.415 9.339 -2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.979 9.207 -1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.706 10.518 -2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.228 8.768 -4.813 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.516 9.914 -5.254 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.647 8.203 -5.726 1.00 0.00 H new ATOM 1272 N GLU A 78 10.160 10.848 -2.806 1.00 0.00 N ATOM 1273 CA GLU A 78 10.526 12.253 -2.775 1.00 0.00 C ATOM 1274 C GLU A 78 11.723 12.487 -3.681 1.00 0.00 C ATOM 1275 O GLU A 78 11.692 13.347 -4.561 1.00 0.00 O ATOM 1276 CB GLU A 78 10.851 12.693 -1.347 1.00 0.00 C ATOM 1277 CG GLU A 78 9.723 13.460 -0.675 1.00 0.00 C ATOM 1278 CD GLU A 78 10.207 14.327 0.470 1.00 0.00 C ATOM 1279 OE1 GLU A 78 10.558 15.499 0.221 1.00 0.00 O ATOM 1280 OE2 GLU A 78 10.236 13.833 1.618 1.00 0.00 O ATOM 0 H GLU A 78 10.138 10.398 -1.891 1.00 0.00 H new ATOM 0 HA GLU A 78 9.683 12.845 -3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.087 11.813 -0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.745 13.317 -1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.224 14.087 -1.414 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.981 12.754 -0.302 1.00 0.00 H new ATOM 1287 N ILE A 79 12.779 11.711 -3.456 1.00 0.00 N ATOM 1288 CA ILE A 79 13.986 11.824 -4.271 1.00 0.00 C ATOM 1289 C ILE A 79 13.695 11.473 -5.732 1.00 0.00 C ATOM 1290 O ILE A 79 13.356 12.344 -6.533 1.00 0.00 O ATOM 1291 CB ILE A 79 15.119 10.920 -3.742 1.00 0.00 C ATOM 1292 CG1 ILE A 79 15.435 11.265 -2.286 1.00 0.00 C ATOM 1293 CG2 ILE A 79 16.364 11.062 -4.605 1.00 0.00 C ATOM 1294 CD1 ILE A 79 15.449 10.060 -1.374 1.00 0.00 C ATOM 0 H ILE A 79 12.825 11.003 -2.723 1.00 0.00 H new ATOM 0 HA ILE A 79 14.314 12.862 -4.208 1.00 0.00 H new ATOM 0 HB ILE A 79 14.786 9.883 -3.790 1.00 0.00 H new ATOM 0 HG12 ILE A 79 16.406 11.758 -2.240 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.697 11.979 -1.921 1.00 0.00 H new ATOM 0 HG21 ILE A 79 17.152 10.417 -4.216 1.00 0.00 H new ATOM 0 HG22 ILE A 79 16.131 10.773 -5.630 1.00 0.00 H new ATOM 0 HG23 ILE A 79 16.702 12.098 -4.588 1.00 0.00 H new ATOM 0 HD11 ILE A 79 15.680 10.376 -0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 79 14.471 9.579 -1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 79 16.207 9.354 -1.715 1.00 0.00 H new ATOM 1306 N LYS A 80 13.830 10.193 -6.072 1.00 0.00 N ATOM 1307 CA LYS A 80 13.582 9.722 -7.418 1.00 0.00 C ATOM 1308 C LYS A 80 13.114 8.274 -7.381 1.00 0.00 C ATOM 1309 O LYS A 80 13.129 7.638 -6.327 1.00 0.00 O ATOM 1310 CB LYS A 80 14.851 9.852 -8.265 1.00 0.00 C ATOM 1311 CG LYS A 80 15.792 8.661 -8.154 1.00 0.00 C ATOM 1312 CD LYS A 80 17.228 9.056 -8.459 1.00 0.00 C ATOM 1313 CE LYS A 80 18.220 8.091 -7.831 1.00 0.00 C ATOM 1314 NZ LYS A 80 19.337 7.759 -8.757 1.00 0.00 N ATOM 0 H LYS A 80 14.113 9.462 -5.420 1.00 0.00 H new ATOM 0 HA LYS A 80 12.800 10.332 -7.871 1.00 0.00 H new ATOM 0 HB2 LYS A 80 14.567 9.982 -9.309 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.385 10.754 -7.965 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.734 8.243 -7.149 1.00 0.00 H new ATOM 0 HG3 LYS A 80 15.474 7.879 -8.844 1.00 0.00 H new ATOM 0 HD2 LYS A 80 17.378 9.081 -9.538 1.00 0.00 H new ATOM 0 HD3 LYS A 80 17.415 10.064 -8.088 1.00 0.00 H new ATOM 0 HE2 LYS A 80 18.624 8.529 -6.918 1.00 0.00 H new ATOM 0 HE3 LYS A 80 17.703 7.175 -7.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 19.991 7.099 -8.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 18.955 7.317 -9.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 19.847 8.629 -9.012 1.00 0.00 H new ATOM 1328 N GLN A 81 12.696 7.765 -8.530 1.00 0.00 N ATOM 1329 CA GLN A 81 12.220 6.388 -8.644 1.00 0.00 C ATOM 1330 C GLN A 81 10.917 6.197 -7.876 1.00 0.00 C ATOM 1331 O GLN A 81 10.875 6.400 -6.668 1.00 0.00 O ATOM 1332 CB GLN A 81 13.281 5.405 -8.139 1.00 0.00 C ATOM 1333 CG GLN A 81 14.080 4.748 -9.252 1.00 0.00 C ATOM 1334 CD GLN A 81 14.261 3.259 -9.038 1.00 0.00 C ATOM 1335 OE1 GLN A 81 13.358 2.467 -9.310 1.00 0.00 O ATOM 1336 NE2 GLN A 81 15.432 2.869 -8.547 1.00 0.00 N ATOM 0 H GLN A 81 12.676 8.287 -9.406 1.00 0.00 H new ATOM 0 HA GLN A 81 12.031 6.185 -9.698 1.00 0.00 H new ATOM 0 HB2 GLN A 81 13.965 5.932 -7.474 1.00 0.00 H new ATOM 0 HB3 GLN A 81 12.794 4.630 -7.547 1.00 0.00 H new ATOM 0 HG2 GLN A 81 13.576 4.916 -10.204 1.00 0.00 H new ATOM 0 HG3 GLN A 81 15.059 5.223 -9.321 1.00 0.00 H new ATOM 0 HE21 GLN A 81 16.152 3.560 -8.336 1.00 0.00 H new ATOM 0 HE22 GLN A 81 15.611 1.879 -8.381 1.00 0.00 H new ATOM 1345 N LEU A 82 9.857 5.838 -8.607 1.00 0.00 N ATOM 1346 CA LEU A 82 8.521 5.598 -8.045 1.00 0.00 C ATOM 1347 C LEU A 82 7.789 6.921 -7.830 1.00 0.00 C ATOM 1348 O LEU A 82 6.732 6.967 -7.201 1.00 0.00 O ATOM 1349 CB LEU A 82 8.563 4.767 -6.747 1.00 0.00 C ATOM 1350 CG LEU A 82 8.603 5.545 -5.429 1.00 0.00 C ATOM 1351 CD1 LEU A 82 7.254 5.467 -4.730 1.00 0.00 C ATOM 1352 CD2 LEU A 82 9.697 4.995 -4.529 1.00 0.00 C ATOM 0 H LEU A 82 9.901 5.704 -9.617 1.00 0.00 H new ATOM 0 HA LEU A 82 7.967 5.004 -8.772 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.688 4.117 -6.731 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.439 4.120 -6.786 1.00 0.00 H new ATOM 0 HG LEU A 82 8.822 6.591 -5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.296 6.024 -3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.486 5.896 -5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.012 4.425 -4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.716 5.556 -3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.500 3.944 -4.317 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.661 5.090 -5.029 1.00 0.00 H new ATOM 1364 N ASN A 83 8.355 7.993 -8.381 1.00 0.00 N ATOM 1365 CA ASN A 83 7.766 9.324 -8.267 1.00 0.00 C ATOM 1366 C ASN A 83 6.321 9.325 -8.758 1.00 0.00 C ATOM 1367 O ASN A 83 5.444 9.934 -8.142 1.00 0.00 O ATOM 1368 CB ASN A 83 8.588 10.335 -9.069 1.00 0.00 C ATOM 1369 CG ASN A 83 8.248 11.769 -8.716 1.00 0.00 C ATOM 1370 OD1 ASN A 83 7.222 12.299 -9.142 1.00 0.00 O ATOM 1371 ND2 ASN A 83 9.109 12.405 -7.930 1.00 0.00 N ATOM 0 H ASN A 83 9.225 7.964 -8.913 1.00 0.00 H new ATOM 0 HA ASN A 83 7.773 9.609 -7.215 1.00 0.00 H new ATOM 0 HB2 ASN A 83 9.649 10.161 -8.888 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.416 10.176 -10.133 1.00 0.00 H new ATOM 0 HD21 ASN A 83 8.932 13.372 -7.657 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.947 11.927 -7.600 1.00 0.00 H new ATOM 1378 N HIS A 84 6.082 8.642 -9.871 1.00 0.00 N ATOM 1379 CA HIS A 84 4.746 8.561 -10.449 1.00 0.00 C ATOM 1380 C HIS A 84 3.773 7.879 -9.491 1.00 0.00 C ATOM 1381 O HIS A 84 2.583 8.195 -9.475 1.00 0.00 O ATOM 1382 CB HIS A 84 4.786 7.808 -11.781 1.00 0.00 C ATOM 1383 CG HIS A 84 5.435 6.460 -11.696 1.00 0.00 C ATOM 1384 ND1 HIS A 84 6.610 6.231 -11.013 1.00 0.00 N ATOM 1385 CD2 HIS A 84 5.068 5.266 -12.218 1.00 0.00 C ATOM 1386 CE1 HIS A 84 6.937 4.955 -11.118 1.00 0.00 C ATOM 1387 NE2 HIS A 84 6.018 4.348 -11.844 1.00 0.00 N ATOM 0 H HIS A 84 6.797 8.135 -10.392 1.00 0.00 H new ATOM 0 HA HIS A 84 4.395 9.578 -10.626 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.767 7.688 -12.150 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.321 8.413 -12.513 1.00 0.00 H new ATOM 0 HD2 HIS A 84 4.191 5.072 -12.817 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.809 4.488 -10.683 1.00 0.00 H new ATOM 0 HE2 HIS A 84 6.014 3.358 -12.088 1.00 0.00 H new ATOM 1396 N PHE A 85 4.283 6.941 -8.695 1.00 0.00 N ATOM 1397 CA PHE A 85 3.450 6.219 -7.738 1.00 0.00 C ATOM 1398 C PHE A 85 2.731 7.184 -6.801 1.00 0.00 C ATOM 1399 O PHE A 85 1.568 6.975 -6.460 1.00 0.00 O ATOM 1400 CB PHE A 85 4.288 5.232 -6.923 1.00 0.00 C ATOM 1401 CG PHE A 85 3.483 4.105 -6.337 1.00 0.00 C ATOM 1402 CD1 PHE A 85 2.955 3.118 -7.153 1.00 0.00 C ATOM 1403 CD2 PHE A 85 3.251 4.036 -4.972 1.00 0.00 C ATOM 1404 CE1 PHE A 85 2.213 2.081 -6.620 1.00 0.00 C ATOM 1405 CE2 PHE A 85 2.507 3.000 -4.432 1.00 0.00 C ATOM 1406 CZ PHE A 85 1.989 2.023 -5.258 1.00 0.00 C ATOM 0 H PHE A 85 5.265 6.665 -8.694 1.00 0.00 H new ATOM 0 HA PHE A 85 2.704 5.663 -8.305 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.069 4.817 -7.560 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.787 5.770 -6.117 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.125 3.159 -8.219 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.655 4.798 -4.322 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.809 1.317 -7.267 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.333 2.957 -3.367 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.409 1.214 -4.840 1.00 0.00 H new ATOM 1416 N TRP A 86 3.426 8.240 -6.387 1.00 0.00 N ATOM 1417 CA TRP A 86 2.840 9.228 -5.495 1.00 0.00 C ATOM 1418 C TRP A 86 1.883 10.136 -6.256 1.00 0.00 C ATOM 1419 O TRP A 86 0.795 10.446 -5.774 1.00 0.00 O ATOM 1420 CB TRP A 86 3.932 10.058 -4.825 1.00 0.00 C ATOM 1421 CG TRP A 86 3.437 10.829 -3.644 1.00 0.00 C ATOM 1422 CD1 TRP A 86 3.236 12.173 -3.574 1.00 0.00 C ATOM 1423 CD2 TRP A 86 3.075 10.299 -2.364 1.00 0.00 C ATOM 1424 NE1 TRP A 86 2.770 12.517 -2.327 1.00 0.00 N ATOM 1425 CE2 TRP A 86 2.664 11.382 -1.566 1.00 0.00 C ATOM 1426 CE3 TRP A 86 3.061 9.013 -1.816 1.00 0.00 C ATOM 1427 CZ2 TRP A 86 2.242 11.217 -0.249 1.00 0.00 C ATOM 1428 CZ3 TRP A 86 2.641 8.850 -0.510 1.00 0.00 C ATOM 1429 CH2 TRP A 86 2.236 9.947 0.261 1.00 0.00 C ATOM 0 H TRP A 86 4.391 8.431 -6.655 1.00 0.00 H new ATOM 0 HA TRP A 86 2.279 8.701 -4.723 1.00 0.00 H new ATOM 0 HB2 TRP A 86 4.740 9.398 -4.509 1.00 0.00 H new ATOM 0 HB3 TRP A 86 4.353 10.751 -5.554 1.00 0.00 H new ATOM 0 HD1 TRP A 86 3.416 12.868 -4.381 1.00 0.00 H new ATOM 0 HE1 TRP A 86 2.541 13.462 -2.019 1.00 0.00 H new ATOM 0 HE3 TRP A 86 3.373 8.162 -2.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 1.931 12.061 0.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 2.625 7.861 -0.077 1.00 0.00 H new ATOM 0 HH2 TRP A 86 1.912 9.787 1.279 1.00 0.00 H new ATOM 1440 N GLU A 87 2.293 10.556 -7.449 1.00 0.00 N ATOM 1441 CA GLU A 87 1.457 11.416 -8.278 1.00 0.00 C ATOM 1442 C GLU A 87 0.149 10.709 -8.605 1.00 0.00 C ATOM 1443 O GLU A 87 -0.880 11.348 -8.827 1.00 0.00 O ATOM 1444 CB GLU A 87 2.190 11.792 -9.567 1.00 0.00 C ATOM 1445 CG GLU A 87 2.079 13.266 -9.922 1.00 0.00 C ATOM 1446 CD GLU A 87 0.935 13.551 -10.874 1.00 0.00 C ATOM 1447 OE1 GLU A 87 1.124 13.384 -12.098 1.00 0.00 O ATOM 1448 OE2 GLU A 87 -0.151 13.943 -10.397 1.00 0.00 O ATOM 0 H GLU A 87 3.195 10.316 -7.861 1.00 0.00 H new ATOM 0 HA GLU A 87 1.238 12.330 -7.725 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.243 11.529 -9.466 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.791 11.198 -10.389 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.941 13.846 -9.010 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.014 13.599 -10.373 1.00 0.00 H new ATOM 1455 N ILE A 88 0.203 9.382 -8.630 1.00 0.00 N ATOM 1456 CA ILE A 88 -0.976 8.574 -8.917 1.00 0.00 C ATOM 1457 C ILE A 88 -1.774 8.321 -7.642 1.00 0.00 C ATOM 1458 O ILE A 88 -2.944 8.686 -7.549 1.00 0.00 O ATOM 1459 CB ILE A 88 -0.602 7.225 -9.563 1.00 0.00 C ATOM 1460 CG1 ILE A 88 0.081 7.452 -10.913 1.00 0.00 C ATOM 1461 CG2 ILE A 88 -1.842 6.358 -9.732 1.00 0.00 C ATOM 1462 CD1 ILE A 88 0.931 6.285 -11.364 1.00 0.00 C ATOM 0 H ILE A 88 1.051 8.843 -8.455 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.585 9.135 -9.625 1.00 0.00 H new ATOM 0 HB ILE A 88 0.096 6.706 -8.906 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.680 7.649 -11.668 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.706 8.343 -10.850 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.563 5.409 -10.189 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.292 6.172 -8.757 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.560 6.871 -10.371 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.384 6.516 -12.328 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.715 6.100 -10.629 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.307 5.396 -11.460 1.00 0.00 H new ATOM 1474 N VAL A 89 -1.129 7.682 -6.669 1.00 0.00 N ATOM 1475 CA VAL A 89 -1.761 7.375 -5.387 1.00 0.00 C ATOM 1476 C VAL A 89 -2.497 8.588 -4.821 1.00 0.00 C ATOM 1477 O VAL A 89 -3.548 8.450 -4.195 1.00 0.00 O ATOM 1478 CB VAL A 89 -0.721 6.879 -4.358 1.00 0.00 C ATOM 1479 CG1 VAL A 89 -1.265 6.969 -2.939 1.00 0.00 C ATOM 1480 CG2 VAL A 89 -0.294 5.455 -4.679 1.00 0.00 C ATOM 0 H VAL A 89 -0.163 7.365 -6.745 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.485 6.582 -5.572 1.00 0.00 H new ATOM 0 HB VAL A 89 0.153 7.527 -4.422 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.511 6.613 -2.237 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.514 8.005 -2.710 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.160 6.353 -2.853 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.439 5.121 -3.945 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.164 4.799 -4.648 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.149 5.424 -5.674 1.00 0.00 H new ATOM 1490 N VAL A 90 -1.948 9.776 -5.053 1.00 0.00 N ATOM 1491 CA VAL A 90 -2.562 11.003 -4.563 1.00 0.00 C ATOM 1492 C VAL A 90 -3.761 11.376 -5.434 1.00 0.00 C ATOM 1493 O VAL A 90 -4.839 11.682 -4.925 1.00 0.00 O ATOM 1494 CB VAL A 90 -1.539 12.166 -4.515 1.00 0.00 C ATOM 1495 CG1 VAL A 90 -2.019 13.378 -5.300 1.00 0.00 C ATOM 1496 CG2 VAL A 90 -1.241 12.547 -3.073 1.00 0.00 C ATOM 0 H VAL A 90 -1.083 9.914 -5.575 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.908 10.826 -3.545 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.621 11.817 -4.987 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.272 14.170 -5.240 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.170 13.100 -6.343 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.960 13.734 -4.880 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.521 13.365 -3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.162 12.863 -2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.826 11.687 -2.548 1.00 0.00 H new ATOM 1506 N GLN A 91 -3.553 11.360 -6.748 1.00 0.00 N ATOM 1507 CA GLN A 91 -4.617 11.670 -7.697 1.00 0.00 C ATOM 1508 C GLN A 91 -5.830 10.774 -7.462 1.00 0.00 C ATOM 1509 O GLN A 91 -6.973 11.225 -7.539 1.00 0.00 O ATOM 1510 CB GLN A 91 -4.116 11.502 -9.133 1.00 0.00 C ATOM 1511 CG GLN A 91 -5.093 12.006 -10.181 1.00 0.00 C ATOM 1512 CD GLN A 91 -4.572 11.837 -11.594 1.00 0.00 C ATOM 1513 OE1 GLN A 91 -3.438 12.207 -11.899 1.00 0.00 O ATOM 1514 NE2 GLN A 91 -5.400 11.273 -12.468 1.00 0.00 N ATOM 0 H GLN A 91 -2.656 11.135 -7.179 1.00 0.00 H new ATOM 0 HA GLN A 91 -4.916 12.707 -7.544 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -3.171 12.034 -9.244 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -3.911 10.447 -9.316 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -6.037 11.470 -10.079 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -5.303 13.060 -9.999 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -6.332 10.981 -12.173 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -5.104 11.132 -13.434 1.00 0.00 H new ATOM 1523 N ASP A 92 -5.571 9.499 -7.176 1.00 0.00 N ATOM 1524 CA ASP A 92 -6.636 8.532 -6.925 1.00 0.00 C ATOM 1525 C ASP A 92 -7.401 8.873 -5.649 1.00 0.00 C ATOM 1526 O ASP A 92 -8.357 8.189 -5.285 1.00 0.00 O ATOM 1527 CB ASP A 92 -6.054 7.120 -6.823 1.00 0.00 C ATOM 1528 CG ASP A 92 -6.003 6.418 -8.166 1.00 0.00 C ATOM 1529 OD1 ASP A 92 -5.106 6.745 -8.973 1.00 0.00 O ATOM 1530 OD2 ASP A 92 -6.858 5.542 -8.412 1.00 0.00 O ATOM 0 H ASP A 92 -4.630 9.112 -7.112 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.333 8.574 -7.762 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.049 7.174 -6.406 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.656 6.531 -6.131 1.00 0.00 H new ATOM 1535 N GLY A 93 -6.971 9.934 -4.976 1.00 0.00 N ATOM 1536 CA GLY A 93 -7.627 10.358 -3.753 1.00 0.00 C ATOM 1537 C GLY A 93 -7.251 9.518 -2.548 1.00 0.00 C ATOM 1538 O GLY A 93 -7.812 9.698 -1.468 1.00 0.00 O ATOM 0 H GLY A 93 -6.177 10.510 -5.257 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -7.373 11.399 -3.555 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.707 10.315 -3.894 1.00 0.00 H new ATOM 1542 N ILE A 94 -6.306 8.596 -2.722 1.00 0.00 N ATOM 1543 CA ILE A 94 -5.875 7.742 -1.621 1.00 0.00 C ATOM 1544 C ILE A 94 -5.297 8.581 -0.487 1.00 0.00 C ATOM 1545 O ILE A 94 -4.397 9.395 -0.697 1.00 0.00 O ATOM 1546 CB ILE A 94 -4.827 6.707 -2.077 1.00 0.00 C ATOM 1547 CG1 ILE A 94 -5.321 5.971 -3.325 1.00 0.00 C ATOM 1548 CG2 ILE A 94 -4.534 5.722 -0.953 1.00 0.00 C ATOM 1549 CD1 ILE A 94 -4.262 5.108 -3.980 1.00 0.00 C ATOM 0 H ILE A 94 -5.829 8.423 -3.607 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.756 7.206 -1.267 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.903 7.228 -2.326 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.171 5.345 -3.055 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.681 6.702 -4.049 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.793 4.997 -1.289 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.148 6.261 -0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.451 5.202 -0.677 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.684 4.618 -4.857 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.420 5.731 -4.282 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.919 4.353 -3.272 1.00 0.00 H new ATOM 1561 N THR A 95 -5.822 8.376 0.714 1.00 0.00 N ATOM 1562 CA THR A 95 -5.381 9.123 1.886 1.00 0.00 C ATOM 1563 C THR A 95 -4.368 8.347 2.714 1.00 0.00 C ATOM 1564 O THR A 95 -3.815 7.340 2.268 1.00 0.00 O ATOM 1565 CB THR A 95 -6.571 9.513 2.782 1.00 0.00 C ATOM 1566 OG1 THR A 95 -7.135 8.344 3.389 1.00 0.00 O ATOM 1567 CG2 THR A 95 -7.640 10.238 1.978 1.00 0.00 C ATOM 0 H THR A 95 -6.558 7.695 0.903 1.00 0.00 H new ATOM 0 HA THR A 95 -4.901 10.025 1.508 1.00 0.00 H new ATOM 0 HB THR A 95 -6.205 10.184 3.559 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.890 8.603 3.958 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.470 10.503 2.633 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.217 11.144 1.544 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.000 9.587 1.181 1.00 0.00 H new ATOM 1575 N LEU A 96 -4.134 8.833 3.927 1.00 0.00 N ATOM 1576 CA LEU A 96 -3.180 8.214 4.834 1.00 0.00 C ATOM 1577 C LEU A 96 -3.916 7.420 5.896 1.00 0.00 C ATOM 1578 O LEU A 96 -5.138 7.505 6.013 1.00 0.00 O ATOM 1579 CB LEU A 96 -2.309 9.276 5.516 1.00 0.00 C ATOM 1580 CG LEU A 96 -1.112 9.793 4.703 1.00 0.00 C ATOM 1581 CD1 LEU A 96 0.119 8.945 4.974 1.00 0.00 C ATOM 1582 CD2 LEU A 96 -1.423 9.817 3.212 1.00 0.00 C ATOM 0 H LEU A 96 -4.596 9.660 4.306 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.540 7.550 4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.942 10.126 5.773 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.935 8.863 6.453 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.911 10.817 5.019 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.958 9.324 4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.365 8.990 6.035 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.082 7.912 4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.556 10.188 2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.661 8.809 2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.275 10.472 3.028 1.00 0.00 H new ATOM 1594 N ILE A 97 -3.170 6.647 6.667 1.00 0.00 N ATOM 1595 CA ILE A 97 -3.758 5.858 7.732 1.00 0.00 C ATOM 1596 C ILE A 97 -4.281 6.793 8.821 1.00 0.00 C ATOM 1597 O ILE A 97 -3.506 7.361 9.591 1.00 0.00 O ATOM 1598 CB ILE A 97 -2.731 4.852 8.309 1.00 0.00 C ATOM 1599 CG1 ILE A 97 -2.827 3.511 7.569 1.00 0.00 C ATOM 1600 CG2 ILE A 97 -2.932 4.646 9.804 1.00 0.00 C ATOM 1601 CD1 ILE A 97 -2.778 3.631 6.057 1.00 0.00 C ATOM 0 H ILE A 97 -2.159 6.550 6.575 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.589 5.278 7.330 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.735 5.270 8.161 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.011 2.868 7.898 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -3.756 3.017 7.853 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -2.195 3.934 10.176 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.811 5.597 10.322 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -3.934 4.258 9.986 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.852 2.639 5.611 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.610 4.246 5.714 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -1.837 4.094 5.759 1.00 0.00 H new ATOM 1613 N THR A 98 -5.599 6.983 8.850 1.00 0.00 N ATOM 1614 CA THR A 98 -6.225 7.866 9.827 1.00 0.00 C ATOM 1615 C THR A 98 -6.820 7.092 10.997 1.00 0.00 C ATOM 1616 O THR A 98 -7.403 6.023 10.820 1.00 0.00 O ATOM 1617 CB THR A 98 -7.333 8.718 9.180 1.00 0.00 C ATOM 1618 OG1 THR A 98 -6.991 9.018 7.822 1.00 0.00 O ATOM 1619 CG2 THR A 98 -7.543 10.012 9.952 1.00 0.00 C ATOM 0 H THR A 98 -6.253 6.536 8.207 1.00 0.00 H new ATOM 0 HA THR A 98 -5.435 8.517 10.201 1.00 0.00 H new ATOM 0 HB THR A 98 -8.260 8.145 9.203 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.701 9.558 7.417 1.00 0.00 H new ATOM 0 HG21 THR A 98 -8.330 10.596 9.476 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.832 9.781 10.977 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.617 10.587 9.957 1.00 0.00 H new ATOM 1627 N LYS A 99 -6.658 7.649 12.195 1.00 0.00 N ATOM 1628 CA LYS A 99 -7.172 7.039 13.418 1.00 0.00 C ATOM 1629 C LYS A 99 -8.635 6.627 13.278 1.00 0.00 C ATOM 1630 O LYS A 99 -8.986 5.470 13.512 1.00 0.00 O ATOM 1631 CB LYS A 99 -7.021 8.016 14.586 1.00 0.00 C ATOM 1632 CG LYS A 99 -7.232 9.472 14.197 1.00 0.00 C ATOM 1633 CD LYS A 99 -7.328 10.367 15.423 1.00 0.00 C ATOM 1634 CE LYS A 99 -8.745 10.409 15.971 1.00 0.00 C ATOM 1635 NZ LYS A 99 -9.011 11.664 16.728 1.00 0.00 N ATOM 0 H LYS A 99 -6.169 8.532 12.345 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.590 6.137 13.608 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.735 7.750 15.365 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.025 7.904 15.015 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.408 9.804 13.566 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.143 9.564 13.606 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.649 10.004 16.194 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.006 11.376 15.165 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.455 10.324 15.148 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.908 9.551 16.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.988 11.654 17.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.350 11.733 17.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.881 12.483 16.100 1.00 0.00 H new ATOM 1649 N GLU A 100 -9.484 7.577 12.902 1.00 0.00 N ATOM 1650 CA GLU A 100 -10.912 7.310 12.745 1.00 0.00 C ATOM 1651 C GLU A 100 -11.164 6.187 11.743 1.00 0.00 C ATOM 1652 O GLU A 100 -12.148 5.456 11.855 1.00 0.00 O ATOM 1653 CB GLU A 100 -11.643 8.578 12.301 1.00 0.00 C ATOM 1654 CG GLU A 100 -13.145 8.523 12.532 1.00 0.00 C ATOM 1655 CD GLU A 100 -13.872 9.710 11.932 1.00 0.00 C ATOM 1656 OE1 GLU A 100 -13.226 10.756 11.714 1.00 0.00 O ATOM 1657 OE2 GLU A 100 -15.090 9.594 11.681 1.00 0.00 O ATOM 0 H GLU A 100 -9.210 8.539 12.700 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.298 6.992 13.714 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.232 9.432 12.838 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.452 8.746 11.241 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -13.541 7.604 12.101 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -13.343 8.484 13.603 1.00 0.00 H new ATOM 1664 N GLU A 101 -10.273 6.053 10.766 1.00 0.00 N ATOM 1665 CA GLU A 101 -10.411 5.019 9.745 1.00 0.00 C ATOM 1666 C GLU A 101 -9.360 3.927 9.922 1.00 0.00 C ATOM 1667 O GLU A 101 -9.039 3.204 8.979 1.00 0.00 O ATOM 1668 CB GLU A 101 -10.295 5.634 8.350 1.00 0.00 C ATOM 1669 CG GLU A 101 -10.967 6.992 8.227 1.00 0.00 C ATOM 1670 CD GLU A 101 -11.183 7.408 6.785 1.00 0.00 C ATOM 1671 OE1 GLU A 101 -11.935 6.711 6.073 1.00 0.00 O ATOM 1672 OE2 GLU A 101 -10.601 8.432 6.370 1.00 0.00 O ATOM 0 H GLU A 101 -9.450 6.645 10.659 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.396 4.566 9.856 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.241 5.735 8.093 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -10.737 4.952 7.623 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.928 6.966 8.741 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.357 7.742 8.730 1.00 0.00 H new ATOM 1679 N ALA A 102 -8.829 3.811 11.135 1.00 0.00 N ATOM 1680 CA ALA A 102 -7.814 2.806 11.433 1.00 0.00 C ATOM 1681 C ALA A 102 -8.439 1.549 12.035 1.00 0.00 C ATOM 1682 O ALA A 102 -8.904 0.670 11.310 1.00 0.00 O ATOM 1683 CB ALA A 102 -6.762 3.382 12.370 1.00 0.00 C ATOM 0 H ALA A 102 -9.084 4.400 11.927 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.333 2.522 10.497 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -6.011 2.622 12.584 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.285 4.241 11.898 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -7.236 3.696 13.300 1.00 0.00 H new ATOM 1689 N SER A 103 -8.452 1.474 13.362 1.00 0.00 N ATOM 1690 CA SER A 103 -9.019 0.323 14.058 1.00 0.00 C ATOM 1691 C SER A 103 -9.853 0.776 15.251 1.00 0.00 C ATOM 1692 O SER A 103 -10.685 0.025 15.761 1.00 0.00 O ATOM 1693 CB SER A 103 -7.905 -0.617 14.525 1.00 0.00 C ATOM 1694 OG SER A 103 -8.378 -1.518 15.511 1.00 0.00 O ATOM 0 H SER A 103 -8.077 2.196 13.977 1.00 0.00 H new ATOM 0 HA SER A 103 -9.666 -0.213 13.364 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.516 -1.176 13.674 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.078 -0.033 14.928 1.00 0.00 H new ATOM 0 HG SER A 103 -7.648 -2.109 15.792 1.00 0.00 H new ATOM 1700 N GLY A 104 -9.621 2.008 15.688 1.00 0.00 N ATOM 1701 CA GLY A 104 -10.356 2.551 16.815 1.00 0.00 C ATOM 1702 C GLY A 104 -9.837 3.911 17.235 1.00 0.00 C ATOM 1703 O GLY A 104 -9.444 4.105 18.385 1.00 0.00 O ATOM 0 H GLY A 104 -8.934 2.643 15.280 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -11.411 2.632 16.554 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -10.288 1.862 17.657 1.00 0.00 H new ATOM 1707 N SER A 105 -9.843 4.856 16.297 1.00 0.00 N ATOM 1708 CA SER A 105 -9.366 6.208 16.565 1.00 0.00 C ATOM 1709 C SER A 105 -7.973 6.187 17.190 1.00 0.00 C ATOM 1710 O SER A 105 -7.712 6.882 18.173 1.00 0.00 O ATOM 1711 CB SER A 105 -10.345 6.944 17.482 1.00 0.00 C ATOM 1712 OG SER A 105 -11.434 7.472 16.746 1.00 0.00 O ATOM 0 H SER A 105 -10.174 4.708 15.344 1.00 0.00 H new ATOM 0 HA SER A 105 -9.303 6.738 15.614 1.00 0.00 H new ATOM 0 HB2 SER A 105 -10.716 6.261 18.246 1.00 0.00 H new ATOM 0 HB3 SER A 105 -9.827 7.751 18.000 1.00 0.00 H new ATOM 0 HG SER A 105 -12.046 7.936 17.355 1.00 0.00 H new ATOM 1718 N SER A 106 -7.080 5.386 16.613 1.00 0.00 N ATOM 1719 CA SER A 106 -5.715 5.277 17.118 1.00 0.00 C ATOM 1720 C SER A 106 -4.692 5.607 16.032 1.00 0.00 C ATOM 1721 O SER A 106 -4.228 4.720 15.315 1.00 0.00 O ATOM 1722 CB SER A 106 -5.463 3.868 17.659 1.00 0.00 C ATOM 1723 OG SER A 106 -5.738 3.799 19.048 1.00 0.00 O ATOM 0 H SER A 106 -7.277 4.805 15.798 1.00 0.00 H new ATOM 0 HA SER A 106 -5.599 6.000 17.925 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.089 3.153 17.125 1.00 0.00 H new ATOM 0 HB3 SER A 106 -4.427 3.584 17.476 1.00 0.00 H new ATOM 0 HG SER A 106 -5.571 2.888 19.370 1.00 0.00 H new ATOM 1729 N VAL A 107 -4.343 6.890 15.930 1.00 0.00 N ATOM 1730 CA VAL A 107 -3.369 7.369 14.949 1.00 0.00 C ATOM 1731 C VAL A 107 -3.291 8.892 14.992 1.00 0.00 C ATOM 1732 O VAL A 107 -4.291 9.564 15.248 1.00 0.00 O ATOM 1733 CB VAL A 107 -3.705 6.897 13.510 1.00 0.00 C ATOM 1734 CG1 VAL A 107 -3.692 8.054 12.515 1.00 0.00 C ATOM 1735 CG2 VAL A 107 -2.734 5.811 13.072 1.00 0.00 C ATOM 0 H VAL A 107 -4.727 7.625 16.524 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.402 6.942 15.215 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.716 6.489 13.524 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.932 7.681 11.520 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.432 8.798 12.812 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.703 8.512 12.502 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.981 5.489 12.060 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.717 6.203 13.090 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.807 4.962 13.751 1.00 0.00 H new ATOM 1745 N THR A 108 -2.105 9.433 14.742 1.00 0.00 N ATOM 1746 CA THR A 108 -1.910 10.876 14.766 1.00 0.00 C ATOM 1747 C THR A 108 -2.334 11.524 13.451 1.00 0.00 C ATOM 1748 O THR A 108 -2.258 10.911 12.387 1.00 0.00 O ATOM 1749 CB THR A 108 -0.441 11.239 15.049 1.00 0.00 C ATOM 1750 OG1 THR A 108 0.283 10.070 15.453 1.00 0.00 O ATOM 1751 CG2 THR A 108 -0.345 12.299 16.135 1.00 0.00 C ATOM 0 H THR A 108 -1.267 8.896 14.521 1.00 0.00 H new ATOM 0 HA THR A 108 -2.538 11.259 15.570 1.00 0.00 H new ATOM 0 HB THR A 108 -0.006 11.639 14.133 1.00 0.00 H new ATOM 0 HG1 THR A 108 1.217 10.308 15.630 1.00 0.00 H new ATOM 0 HG21 THR A 108 0.702 12.539 16.318 1.00 0.00 H new ATOM 0 HG22 THR A 108 -0.873 13.197 15.814 1.00 0.00 H new ATOM 0 HG23 THR A 108 -0.796 11.922 17.053 1.00 0.00 H new ATOM 1759 N ALA A 109 -2.781 12.772 13.543 1.00 0.00 N ATOM 1760 CA ALA A 109 -3.210 13.534 12.376 1.00 0.00 C ATOM 1761 C ALA A 109 -2.003 14.123 11.656 1.00 0.00 C ATOM 1762 O ALA A 109 -2.104 14.598 10.525 1.00 0.00 O ATOM 1763 CB ALA A 109 -4.177 14.635 12.785 1.00 0.00 C ATOM 0 H ALA A 109 -2.856 13.281 14.424 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.727 12.860 11.692 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -4.487 15.194 11.902 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -5.052 14.192 13.260 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.685 15.309 13.487 1.00 0.00 H new ATOM 1769 N GLU A 110 -0.864 14.082 12.335 1.00 0.00 N ATOM 1770 CA GLU A 110 0.377 14.621 11.792 1.00 0.00 C ATOM 1771 C GLU A 110 0.796 13.863 10.537 1.00 0.00 C ATOM 1772 O GLU A 110 1.555 14.378 9.715 1.00 0.00 O ATOM 1773 CB GLU A 110 1.488 14.551 12.841 1.00 0.00 C ATOM 1774 CG GLU A 110 1.608 15.810 13.685 1.00 0.00 C ATOM 1775 CD GLU A 110 2.788 15.764 14.635 1.00 0.00 C ATOM 1776 OE1 GLU A 110 2.638 15.209 15.744 1.00 0.00 O ATOM 1777 OE2 GLU A 110 3.865 16.282 14.269 1.00 0.00 O ATOM 0 H GLU A 110 -0.774 13.679 13.268 1.00 0.00 H new ATOM 0 HA GLU A 110 0.206 15.663 11.523 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.304 13.700 13.497 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.438 14.368 12.340 1.00 0.00 H new ATOM 0 HG2 GLU A 110 1.708 16.675 13.029 1.00 0.00 H new ATOM 0 HG3 GLU A 110 0.691 15.948 14.257 1.00 0.00 H new ATOM 1784 N GLU A 111 0.301 12.637 10.392 1.00 0.00 N ATOM 1785 CA GLU A 111 0.628 11.809 9.238 1.00 0.00 C ATOM 1786 C GLU A 111 -0.295 12.113 8.062 1.00 0.00 C ATOM 1787 O GLU A 111 0.162 12.363 6.949 1.00 0.00 O ATOM 1788 CB GLU A 111 0.517 10.326 9.611 1.00 0.00 C ATOM 1789 CG GLU A 111 0.185 9.421 8.435 1.00 0.00 C ATOM 1790 CD GLU A 111 0.602 7.983 8.667 1.00 0.00 C ATOM 1791 OE1 GLU A 111 0.427 7.491 9.802 1.00 0.00 O ATOM 1792 OE2 GLU A 111 1.104 7.351 7.715 1.00 0.00 O ATOM 0 H GLU A 111 -0.329 12.195 11.061 1.00 0.00 H new ATOM 0 HA GLU A 111 1.651 12.036 8.938 1.00 0.00 H new ATOM 0 HB2 GLU A 111 1.459 10.001 10.053 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -0.251 10.210 10.375 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -0.888 9.458 8.245 1.00 0.00 H new ATOM 0 HG3 GLU A 111 0.680 9.799 7.540 1.00 0.00 H new ATOM 1799 N ALA A 112 -1.595 12.095 8.323 1.00 0.00 N ATOM 1800 CA ALA A 112 -2.587 12.341 7.283 1.00 0.00 C ATOM 1801 C ALA A 112 -2.552 13.783 6.781 1.00 0.00 C ATOM 1802 O ALA A 112 -2.956 14.062 5.652 1.00 0.00 O ATOM 1803 CB ALA A 112 -3.977 11.996 7.794 1.00 0.00 C ATOM 0 H ALA A 112 -1.988 11.913 9.246 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.340 11.698 6.438 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -4.710 12.183 7.009 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -4.010 10.944 8.077 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -4.209 12.613 8.662 1.00 0.00 H new ATOM 1809 N LYS A 113 -2.070 14.695 7.618 1.00 0.00 N ATOM 1810 CA LYS A 113 -2.007 16.108 7.252 1.00 0.00 C ATOM 1811 C LYS A 113 -0.712 16.459 6.522 1.00 0.00 C ATOM 1812 O LYS A 113 -0.740 17.050 5.442 1.00 0.00 O ATOM 1813 CB LYS A 113 -2.147 16.980 8.501 1.00 0.00 C ATOM 1814 CG LYS A 113 -3.576 17.104 9.001 1.00 0.00 C ATOM 1815 CD LYS A 113 -3.738 18.290 9.937 1.00 0.00 C ATOM 1816 CE LYS A 113 -5.202 18.575 10.229 1.00 0.00 C ATOM 1817 NZ LYS A 113 -5.735 17.692 11.303 1.00 0.00 N ATOM 0 H LYS A 113 -1.718 14.484 8.552 1.00 0.00 H new ATOM 0 HA LYS A 113 -2.834 16.302 6.569 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -1.528 16.563 9.296 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -1.760 17.975 8.284 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -4.251 17.214 8.152 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -3.862 16.189 9.519 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -3.212 18.092 10.871 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -3.277 19.172 9.492 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -5.317 19.618 10.526 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -5.787 18.436 9.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -6.704 17.984 11.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -5.743 16.707 10.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -5.131 17.768 12.146 1.00 0.00 H new ATOM 1831 N LYS A 114 0.421 16.095 7.115 1.00 0.00 N ATOM 1832 CA LYS A 114 1.725 16.399 6.535 1.00 0.00 C ATOM 1833 C LYS A 114 1.950 15.684 5.204 1.00 0.00 C ATOM 1834 O LYS A 114 2.642 16.201 4.327 1.00 0.00 O ATOM 1835 CB LYS A 114 2.837 16.025 7.516 1.00 0.00 C ATOM 1836 CG LYS A 114 3.960 17.045 7.579 1.00 0.00 C ATOM 1837 CD LYS A 114 5.020 16.771 6.523 1.00 0.00 C ATOM 1838 CE LYS A 114 6.236 17.663 6.712 1.00 0.00 C ATOM 1839 NZ LYS A 114 6.856 17.482 8.054 1.00 0.00 N ATOM 0 H LYS A 114 0.462 15.588 7.999 1.00 0.00 H new ATOM 0 HA LYS A 114 1.747 17.471 6.340 1.00 0.00 H new ATOM 0 HB2 LYS A 114 2.408 15.907 8.511 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.251 15.058 7.231 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.553 18.046 7.436 1.00 0.00 H new ATOM 0 HG3 LYS A 114 4.417 17.025 8.569 1.00 0.00 H new ATOM 0 HD2 LYS A 114 5.323 15.725 6.573 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.598 16.934 5.531 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.972 17.441 5.939 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.944 18.706 6.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.842 17.810 8.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.326 18.034 8.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.833 16.475 8.314 1.00 0.00 H new ATOM 1853 N PHE A 115 1.367 14.500 5.052 1.00 0.00 N ATOM 1854 CA PHE A 115 1.533 13.727 3.824 1.00 0.00 C ATOM 1855 C PHE A 115 0.645 14.259 2.702 1.00 0.00 C ATOM 1856 O PHE A 115 1.105 14.449 1.575 1.00 0.00 O ATOM 1857 CB PHE A 115 1.228 12.252 4.077 1.00 0.00 C ATOM 1858 CG PHE A 115 2.413 11.476 4.580 1.00 0.00 C ATOM 1859 CD1 PHE A 115 2.882 11.659 5.872 1.00 0.00 C ATOM 1860 CD2 PHE A 115 3.057 10.566 3.761 1.00 0.00 C ATOM 1861 CE1 PHE A 115 3.971 10.948 6.335 1.00 0.00 C ATOM 1862 CE2 PHE A 115 4.147 9.851 4.218 1.00 0.00 C ATOM 1863 CZ PHE A 115 4.605 10.042 5.507 1.00 0.00 C ATOM 0 H PHE A 115 0.779 14.056 5.757 1.00 0.00 H new ATOM 0 HA PHE A 115 2.571 13.829 3.509 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.418 12.175 4.802 1.00 0.00 H new ATOM 0 HB3 PHE A 115 0.872 11.798 3.152 1.00 0.00 H new ATOM 0 HD1 PHE A 115 2.390 12.366 6.524 1.00 0.00 H new ATOM 0 HD2 PHE A 115 2.703 10.413 2.752 1.00 0.00 H new ATOM 0 HE1 PHE A 115 4.327 11.100 7.343 1.00 0.00 H new ATOM 0 HE2 PHE A 115 4.640 9.143 3.568 1.00 0.00 H new ATOM 0 HZ PHE A 115 5.457 9.484 5.867 1.00 0.00 H new ATOM 1873 N LEU A 116 -0.625 14.497 3.011 1.00 0.00 N ATOM 1874 CA LEU A 116 -1.565 15.006 2.018 1.00 0.00 C ATOM 1875 C LEU A 116 -1.598 16.532 2.035 1.00 0.00 C ATOM 1876 O LEU A 116 -2.653 17.144 1.867 1.00 0.00 O ATOM 1877 CB LEU A 116 -2.968 14.449 2.276 1.00 0.00 C ATOM 1878 CG LEU A 116 -3.211 13.031 1.754 1.00 0.00 C ATOM 1879 CD1 LEU A 116 -3.998 12.220 2.770 1.00 0.00 C ATOM 1880 CD2 LEU A 116 -3.942 13.070 0.419 1.00 0.00 C ATOM 0 H LEU A 116 -1.026 14.347 3.937 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.229 14.678 1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -3.155 14.461 3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.697 15.118 1.818 1.00 0.00 H new ATOM 0 HG LEU A 116 -2.245 12.549 1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.163 11.214 2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -3.437 12.163 3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.959 12.700 2.953 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.106 12.053 0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.903 13.569 0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.342 13.616 -0.309 1.00 0.00 H new ATOM 1892 N ALA A 117 -0.433 17.138 2.239 1.00 0.00 N ATOM 1893 CA ALA A 117 -0.324 18.592 2.278 1.00 0.00 C ATOM 1894 C ALA A 117 -0.116 19.163 0.877 1.00 0.00 C ATOM 1895 O ALA A 117 0.462 18.505 0.012 1.00 0.00 O ATOM 1896 CB ALA A 117 0.814 19.009 3.197 1.00 0.00 C ATOM 0 H ALA A 117 0.449 16.645 2.380 1.00 0.00 H new ATOM 0 HA ALA A 117 -1.258 18.994 2.670 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.885 20.096 3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 117 0.623 18.639 4.204 1.00 0.00 H new ATOM 0 HB3 ALA A 117 1.751 18.591 2.829 1.00 0.00 H new