USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 810 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 THR OG1 : rot 143:sc= 1.13 USER MOD Set 1.2: A 104 ASN : amide:sc= -0.0888 K(o=3.1,f=-12!) USER MOD Set 1.3: A 105 LYS NZ :NH3+ 169:sc= 2.09 (180deg=0.422) USER MOD Set 2.1: A 4 ASN : amide:sc= -0.615 K(o=-0.61,f=-3.4!) USER MOD Set 2.2: A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 34:sc= 0.179 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 13 SER OG : rot 180:sc= 0.00501 USER MOD Single : A 15 LYS NZ :NH3+ 154:sc= 1.27 (180deg=1.02) USER MOD Single : A 17 TYR OH : rot 180:sc= 1.01 USER MOD Single : A 26 LYS NZ :NH3+ 172:sc=-0.000359 (180deg=-0.0703) USER MOD Single : A 29 SER OG : rot 68:sc= 0.177 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot -53:sc= 0.175 USER MOD Single : A 35 GLN : amide:sc= -0.0215 K(o=-0.022,f=-1.2!) USER MOD Single : A 39 SER OG : rot 180:sc= -0.193 USER MOD Single : A 41 SER OG : rot -170:sc= -0.187 USER MOD Single : A 46 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.49) USER MOD Single : A 53 SER OG : rot 180:sc= 0.0451 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 172:sc= 2.02 (180deg=1.95) USER MOD Single : A 61 MET CE :methyl -166:sc= -0.244 (180deg=-1.3) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.164 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -167:sc=-0.00711 (180deg=-0.19) USER MOD Single : A 67 ASN : amide:sc= -0.0404 X(o=-0.04,f=-0.01) USER MOD Single : A 72 ASN : amide:sc= -1.55! C(o=-1.5!,f=-4.3!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.027 K(o=-0.027,f=-1.1) USER MOD Single : A 79 LYS NZ :NH3+ 172:sc=0.000693 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 161:sc= 1.28 (180deg=0.989) USER MOD Single : A 91 SER OG : rot 180:sc=-0.00825 USER MOD Single : A 94 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0585) USER MOD Single : A 100 LYS NZ :NH3+ 170:sc= 1.28 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 14 N SER A 2 -3.406 21.288 -2.215 1.00 0.00 N ATOM 15 CA SER A 2 -4.291 20.422 -2.977 1.00 0.00 C ATOM 16 C SER A 2 -3.459 19.467 -3.828 1.00 0.00 C ATOM 17 O SER A 2 -2.821 19.883 -4.796 1.00 0.00 O ATOM 18 CB SER A 2 -5.204 21.265 -3.868 1.00 0.00 C ATOM 19 OG SER A 2 -5.849 22.283 -3.118 1.00 0.00 O ATOM 0 HA SER A 2 -4.910 19.843 -2.292 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.620 21.715 -4.671 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.951 20.625 -4.337 1.00 0.00 H new ATOM 0 HG SER A 2 -5.250 22.595 -2.408 1.00 0.00 H new ATOM 25 N ARG A 3 -3.450 18.196 -3.459 1.00 0.00 N ATOM 26 CA ARG A 3 -2.601 17.221 -4.129 1.00 0.00 C ATOM 27 C ARG A 3 -3.422 16.034 -4.626 1.00 0.00 C ATOM 28 O ARG A 3 -4.554 15.824 -4.186 1.00 0.00 O ATOM 29 CB ARG A 3 -1.498 16.751 -3.168 1.00 0.00 C ATOM 30 CG ARG A 3 -0.485 15.806 -3.796 1.00 0.00 C ATOM 31 CD ARG A 3 0.678 15.516 -2.864 1.00 0.00 C ATOM 32 NE ARG A 3 1.502 16.700 -2.619 1.00 0.00 N ATOM 33 CZ ARG A 3 2.829 16.717 -2.757 1.00 0.00 C ATOM 34 NH1 ARG A 3 3.480 15.627 -3.147 1.00 0.00 N ATOM 35 NH2 ARG A 3 3.511 17.828 -2.521 1.00 0.00 N ATOM 0 H ARG A 3 -4.018 17.815 -2.702 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.141 17.694 -4.997 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -0.972 17.624 -2.781 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -1.962 16.254 -2.316 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -0.978 14.871 -4.062 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -0.108 16.242 -4.721 1.00 0.00 H new ATOM 0 HD2 ARG A 3 0.295 15.140 -1.915 1.00 0.00 H new ATOM 0 HD3 ARG A 3 1.297 14.728 -3.293 1.00 0.00 H new ATOM 0 HE ARG A 3 1.037 17.559 -2.327 1.00 0.00 H new ATOM 0 HH11 ARG A 3 2.965 14.769 -3.343 1.00 0.00 H new ATOM 0 HH12 ARG A 3 4.495 15.648 -3.250 1.00 0.00 H new ATOM 0 HH21 ARG A 3 3.022 18.675 -2.232 1.00 0.00 H new ATOM 0 HH22 ARG A 3 4.525 17.836 -2.628 1.00 0.00 H new ATOM 49 N ASN A 4 -2.860 15.287 -5.570 1.00 0.00 N ATOM 50 CA ASN A 4 -3.470 14.059 -6.061 1.00 0.00 C ATOM 51 C ASN A 4 -2.403 12.999 -6.300 1.00 0.00 C ATOM 52 O ASN A 4 -1.400 13.259 -6.963 1.00 0.00 O ATOM 53 CB ASN A 4 -4.248 14.309 -7.355 1.00 0.00 C ATOM 54 CG ASN A 4 -5.672 14.747 -7.104 1.00 0.00 C ATOM 55 OD1 ASN A 4 -6.577 13.920 -7.009 1.00 0.00 O ATOM 56 ND2 ASN A 4 -5.886 16.049 -7.003 1.00 0.00 N ATOM 0 H ASN A 4 -1.971 15.516 -6.015 1.00 0.00 H new ATOM 0 HA ASN A 4 -4.167 13.705 -5.302 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -3.735 15.072 -7.941 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.253 13.398 -7.953 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.830 16.400 -6.840 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.107 16.702 -7.088 1.00 0.00 H new ATOM 63 N PRO A 5 -2.595 11.797 -5.744 1.00 0.00 N ATOM 64 CA PRO A 5 -1.688 10.683 -5.941 1.00 0.00 C ATOM 65 C PRO A 5 -2.092 9.835 -7.145 1.00 0.00 C ATOM 66 O PRO A 5 -2.865 10.278 -7.995 1.00 0.00 O ATOM 67 CB PRO A 5 -1.836 9.888 -4.641 1.00 0.00 C ATOM 68 CG PRO A 5 -3.157 10.289 -4.048 1.00 0.00 C ATOM 69 CD PRO A 5 -3.713 11.423 -4.878 1.00 0.00 C ATOM 0 HA PRO A 5 -0.665 11.000 -6.145 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.807 8.816 -4.836 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.019 10.110 -3.955 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -3.846 9.445 -4.045 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -3.031 10.601 -3.011 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.581 11.108 -5.457 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.033 12.257 -4.254 1.00 0.00 H new ATOM 77 N GLU A 6 -1.563 8.625 -7.222 1.00 0.00 N ATOM 78 CA GLU A 6 -1.908 7.721 -8.305 1.00 0.00 C ATOM 79 C GLU A 6 -3.250 7.061 -8.024 1.00 0.00 C ATOM 80 O GLU A 6 -3.457 6.474 -6.957 1.00 0.00 O ATOM 81 CB GLU A 6 -0.815 6.667 -8.495 1.00 0.00 C ATOM 82 CG GLU A 6 -1.086 5.706 -9.641 1.00 0.00 C ATOM 83 CD GLU A 6 0.139 4.909 -10.030 1.00 0.00 C ATOM 84 OE1 GLU A 6 0.483 3.946 -9.317 1.00 0.00 O ATOM 85 OE2 GLU A 6 0.770 5.252 -11.054 1.00 0.00 O ATOM 0 H GLU A 6 -0.895 8.248 -6.550 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.988 8.294 -9.229 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.136 7.170 -8.671 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.708 6.097 -7.572 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.885 5.022 -9.356 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.440 6.267 -10.506 1.00 0.00 H new ATOM 92 N VAL A 7 -4.158 7.174 -8.979 1.00 0.00 N ATOM 93 CA VAL A 7 -5.506 6.653 -8.829 1.00 0.00 C ATOM 94 C VAL A 7 -5.771 5.538 -9.838 1.00 0.00 C ATOM 95 O VAL A 7 -5.843 5.782 -11.043 1.00 0.00 O ATOM 96 CB VAL A 7 -6.554 7.777 -9.006 1.00 0.00 C ATOM 97 CG1 VAL A 7 -7.968 7.216 -8.970 1.00 0.00 C ATOM 98 CG2 VAL A 7 -6.379 8.846 -7.933 1.00 0.00 C ATOM 0 H VAL A 7 -3.983 7.627 -9.876 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.594 6.246 -7.822 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.395 8.234 -9.983 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -8.685 8.027 -9.097 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -8.093 6.492 -9.776 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -8.141 6.726 -8.012 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.125 9.628 -8.074 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.506 8.397 -6.948 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.381 9.278 -8.009 1.00 0.00 H new ATOM 108 N LEU A 8 -5.897 4.316 -9.344 1.00 0.00 N ATOM 109 CA LEU A 8 -6.151 3.163 -10.194 1.00 0.00 C ATOM 110 C LEU A 8 -7.601 2.729 -10.085 1.00 0.00 C ATOM 111 O LEU A 8 -8.080 2.423 -8.997 1.00 0.00 O ATOM 112 CB LEU A 8 -5.245 2.000 -9.791 1.00 0.00 C ATOM 113 CG LEU A 8 -3.762 2.340 -9.705 1.00 0.00 C ATOM 114 CD1 LEU A 8 -2.975 1.161 -9.157 1.00 0.00 C ATOM 115 CD2 LEU A 8 -3.232 2.748 -11.069 1.00 0.00 C ATOM 0 H LEU A 8 -5.827 4.096 -8.350 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.940 3.448 -11.225 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.573 1.622 -8.822 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.376 1.191 -10.510 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.640 3.180 -9.022 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.918 1.423 -9.103 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.339 0.913 -8.160 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.103 0.301 -9.815 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.172 2.988 -10.991 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.367 1.927 -11.773 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.776 3.623 -11.424 1.00 0.00 H new ATOM 127 N TRP A 9 -8.308 2.703 -11.197 1.00 0.00 N ATOM 128 CA TRP A 9 -9.682 2.241 -11.187 1.00 0.00 C ATOM 129 C TRP A 9 -9.772 0.846 -11.780 1.00 0.00 C ATOM 130 O TRP A 9 -9.015 0.486 -12.684 1.00 0.00 O ATOM 131 CB TRP A 9 -10.610 3.204 -11.937 1.00 0.00 C ATOM 132 CG TRP A 9 -10.334 3.297 -13.405 1.00 0.00 C ATOM 133 CD1 TRP A 9 -9.256 3.882 -13.989 1.00 0.00 C ATOM 134 CD2 TRP A 9 -11.151 2.801 -14.473 1.00 0.00 C ATOM 135 NE1 TRP A 9 -9.343 3.784 -15.354 1.00 0.00 N ATOM 136 CE2 TRP A 9 -10.497 3.123 -15.678 1.00 0.00 C ATOM 137 CE3 TRP A 9 -12.366 2.113 -14.529 1.00 0.00 C ATOM 138 CZ2 TRP A 9 -11.021 2.786 -16.922 1.00 0.00 C ATOM 139 CZ3 TRP A 9 -12.886 1.779 -15.765 1.00 0.00 C ATOM 140 CH2 TRP A 9 -12.211 2.113 -16.946 1.00 0.00 C ATOM 0 H TRP A 9 -7.959 2.993 -12.110 1.00 0.00 H new ATOM 0 HA TRP A 9 -10.014 2.208 -10.149 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -11.642 2.885 -11.791 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -10.518 4.197 -11.497 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -8.446 4.356 -13.455 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -8.659 4.145 -16.019 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -12.889 1.847 -13.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -10.507 3.046 -17.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -13.827 1.252 -15.821 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -12.640 1.833 -17.897 1.00 0.00 H new ATOM 151 N ALA A 10 -10.684 0.064 -11.242 1.00 0.00 N ATOM 152 CA ALA A 10 -10.936 -1.283 -11.724 1.00 0.00 C ATOM 153 C ALA A 10 -12.432 -1.553 -11.748 1.00 0.00 C ATOM 154 O ALA A 10 -13.060 -1.727 -10.706 1.00 0.00 O ATOM 155 CB ALA A 10 -10.216 -2.312 -10.862 1.00 0.00 C ATOM 0 H ALA A 10 -11.273 0.342 -10.457 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.547 -1.368 -12.739 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.420 -3.313 -11.243 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.143 -2.124 -10.892 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.569 -2.236 -9.834 1.00 0.00 H new ATOM 161 N GLN A 11 -12.996 -1.586 -12.940 1.00 0.00 N ATOM 162 CA GLN A 11 -14.431 -1.735 -13.110 1.00 0.00 C ATOM 163 C GLN A 11 -14.790 -3.189 -13.382 1.00 0.00 C ATOM 164 O GLN A 11 -14.281 -3.797 -14.323 1.00 0.00 O ATOM 165 CB GLN A 11 -14.898 -0.832 -14.257 1.00 0.00 C ATOM 166 CG GLN A 11 -16.253 -1.193 -14.845 1.00 0.00 C ATOM 167 CD GLN A 11 -16.646 -0.260 -15.972 1.00 0.00 C ATOM 168 OE1 GLN A 11 -16.339 0.930 -15.942 1.00 0.00 O ATOM 169 NE2 GLN A 11 -17.290 -0.799 -16.995 1.00 0.00 N ATOM 0 H GLN A 11 -12.477 -1.511 -13.815 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.938 -1.436 -12.192 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -14.936 0.196 -13.898 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -14.153 -0.864 -15.052 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -16.227 -2.218 -15.215 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.010 -1.156 -14.062 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -17.527 -1.791 -16.983 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -17.549 -0.222 -17.796 1.00 0.00 H new ATOM 178 N ARG A 12 -15.656 -3.749 -12.544 1.00 0.00 N ATOM 179 CA ARG A 12 -16.070 -5.134 -12.696 1.00 0.00 C ATOM 180 C ARG A 12 -17.587 -5.234 -12.830 1.00 0.00 C ATOM 181 O ARG A 12 -18.266 -4.230 -13.068 1.00 0.00 O ATOM 182 CB ARG A 12 -15.558 -5.987 -11.529 1.00 0.00 C ATOM 183 CG ARG A 12 -14.040 -5.981 -11.412 1.00 0.00 C ATOM 184 CD ARG A 12 -13.498 -7.312 -10.912 1.00 0.00 C ATOM 185 NE ARG A 12 -13.873 -7.599 -9.527 1.00 0.00 N ATOM 186 CZ ARG A 12 -13.794 -8.815 -8.978 1.00 0.00 C ATOM 187 NH1 ARG A 12 -13.410 -9.856 -9.709 1.00 0.00 N ATOM 188 NH2 ARG A 12 -14.087 -8.994 -7.700 1.00 0.00 N ATOM 0 H ARG A 12 -16.083 -3.264 -11.755 1.00 0.00 H new ATOM 0 HA ARG A 12 -15.628 -5.524 -13.613 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.990 -5.618 -10.599 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.903 -7.013 -11.656 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.603 -5.755 -12.385 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.733 -5.187 -10.732 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -13.865 -8.112 -11.555 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.411 -7.310 -10.995 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.213 -6.830 -8.950 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.174 -9.729 -10.693 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.351 -10.782 -9.286 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.375 -8.201 -7.127 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.024 -9.925 -7.288 1.00 0.00 H new ATOM 202 N SER A 13 -18.107 -6.446 -12.691 1.00 0.00 N ATOM 203 CA SER A 13 -19.508 -6.732 -12.969 1.00 0.00 C ATOM 204 C SER A 13 -20.456 -6.109 -11.940 1.00 0.00 C ATOM 205 O SER A 13 -21.406 -5.415 -12.307 1.00 0.00 O ATOM 206 CB SER A 13 -19.703 -8.244 -13.011 1.00 0.00 C ATOM 207 OG SER A 13 -18.641 -8.861 -13.716 1.00 0.00 O ATOM 0 H SER A 13 -17.571 -7.257 -12.383 1.00 0.00 H new ATOM 0 HA SER A 13 -19.756 -6.284 -13.932 1.00 0.00 H new ATOM 0 HB2 SER A 13 -19.752 -8.639 -11.996 1.00 0.00 H new ATOM 0 HB3 SER A 13 -20.652 -8.481 -13.491 1.00 0.00 H new ATOM 0 HG SER A 13 -18.780 -9.831 -13.733 1.00 0.00 H new ATOM 213 N ASP A 14 -20.195 -6.354 -10.657 1.00 0.00 N ATOM 214 CA ASP A 14 -21.124 -5.966 -9.597 1.00 0.00 C ATOM 215 C ASP A 14 -20.709 -4.660 -8.923 1.00 0.00 C ATOM 216 O ASP A 14 -21.555 -3.905 -8.436 1.00 0.00 O ATOM 217 CB ASP A 14 -21.224 -7.082 -8.550 1.00 0.00 C ATOM 218 CG ASP A 14 -19.948 -7.254 -7.746 1.00 0.00 C ATOM 219 OD1 ASP A 14 -18.864 -7.357 -8.354 1.00 0.00 O ATOM 220 OD2 ASP A 14 -20.032 -7.290 -6.497 1.00 0.00 O ATOM 0 H ASP A 14 -19.349 -6.819 -10.327 1.00 0.00 H new ATOM 0 HA ASP A 14 -22.098 -5.806 -10.059 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -22.048 -6.864 -7.871 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -21.462 -8.021 -9.049 1.00 0.00 H new ATOM 225 N LYS A 15 -19.415 -4.387 -8.894 1.00 0.00 N ATOM 226 CA LYS A 15 -18.918 -3.190 -8.237 1.00 0.00 C ATOM 227 C LYS A 15 -17.679 -2.647 -8.943 1.00 0.00 C ATOM 228 O LYS A 15 -17.115 -3.299 -9.826 1.00 0.00 O ATOM 229 CB LYS A 15 -18.600 -3.485 -6.767 1.00 0.00 C ATOM 230 CG LYS A 15 -17.594 -4.608 -6.567 1.00 0.00 C ATOM 231 CD LYS A 15 -17.155 -4.718 -5.113 1.00 0.00 C ATOM 232 CE LYS A 15 -18.291 -5.150 -4.198 1.00 0.00 C ATOM 233 NZ LYS A 15 -18.642 -6.586 -4.379 1.00 0.00 N ATOM 0 H LYS A 15 -18.694 -4.974 -9.315 1.00 0.00 H new ATOM 0 HA LYS A 15 -19.698 -2.430 -8.288 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.215 -2.578 -6.300 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -19.524 -3.742 -6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -18.034 -5.552 -6.887 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -16.723 -4.433 -7.198 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.337 -5.434 -5.036 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.768 -3.755 -4.779 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -18.007 -4.975 -3.160 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -19.169 -4.535 -4.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -19.065 -6.953 -3.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -19.324 -6.681 -5.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.783 -7.128 -4.603 1.00 0.00 H new ATOM 247 N VAL A 16 -17.271 -1.451 -8.548 1.00 0.00 N ATOM 248 CA VAL A 16 -16.085 -0.824 -9.098 1.00 0.00 C ATOM 249 C VAL A 16 -15.083 -0.532 -7.979 1.00 0.00 C ATOM 250 O VAL A 16 -15.461 -0.121 -6.879 1.00 0.00 O ATOM 251 CB VAL A 16 -16.435 0.473 -9.871 1.00 0.00 C ATOM 252 CG1 VAL A 16 -17.108 1.491 -8.960 1.00 0.00 C ATOM 253 CG2 VAL A 16 -15.198 1.073 -10.529 1.00 0.00 C ATOM 0 H VAL A 16 -17.751 -0.893 -7.842 1.00 0.00 H new ATOM 0 HA VAL A 16 -15.633 -1.516 -9.809 1.00 0.00 H new ATOM 0 HB VAL A 16 -17.140 0.206 -10.658 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -17.342 2.390 -9.530 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -18.028 1.067 -8.557 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -16.437 1.745 -8.140 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -15.475 1.982 -11.064 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.459 1.313 -9.764 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -14.774 0.354 -11.230 1.00 0.00 H new ATOM 263 N TYR A 17 -13.815 -0.785 -8.257 1.00 0.00 N ATOM 264 CA TYR A 17 -12.759 -0.603 -7.271 1.00 0.00 C ATOM 265 C TYR A 17 -12.003 0.675 -7.559 1.00 0.00 C ATOM 266 O TYR A 17 -11.633 0.944 -8.704 1.00 0.00 O ATOM 267 CB TYR A 17 -11.770 -1.778 -7.286 1.00 0.00 C ATOM 268 CG TYR A 17 -12.369 -3.126 -6.939 1.00 0.00 C ATOM 269 CD1 TYR A 17 -13.607 -3.499 -7.429 1.00 0.00 C ATOM 270 CD2 TYR A 17 -11.682 -4.032 -6.144 1.00 0.00 C ATOM 271 CE1 TYR A 17 -14.151 -4.731 -7.141 1.00 0.00 C ATOM 272 CE2 TYR A 17 -12.220 -5.271 -5.845 1.00 0.00 C ATOM 273 CZ TYR A 17 -13.458 -5.612 -6.347 1.00 0.00 C ATOM 274 OH TYR A 17 -14.002 -6.844 -6.067 1.00 0.00 O ATOM 0 H TYR A 17 -13.489 -1.119 -9.164 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.228 -0.553 -6.288 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.320 -1.842 -8.277 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.965 -1.564 -6.584 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -14.159 -2.810 -8.051 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.711 -3.766 -5.752 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -15.118 -5.003 -7.538 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -11.675 -5.966 -5.223 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.389 -7.350 -5.494 1.00 0.00 H new ATOM 284 N LEU A 18 -11.795 1.461 -6.528 1.00 0.00 N ATOM 285 CA LEU A 18 -10.976 2.661 -6.636 1.00 0.00 C ATOM 286 C LEU A 18 -9.753 2.515 -5.737 1.00 0.00 C ATOM 287 O LEU A 18 -9.869 2.521 -4.514 1.00 0.00 O ATOM 288 CB LEU A 18 -11.792 3.904 -6.248 1.00 0.00 C ATOM 289 CG LEU A 18 -11.292 5.244 -6.812 1.00 0.00 C ATOM 290 CD1 LEU A 18 -9.948 5.635 -6.212 1.00 0.00 C ATOM 291 CD2 LEU A 18 -11.193 5.177 -8.329 1.00 0.00 C ATOM 0 H LEU A 18 -12.181 1.296 -5.598 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.648 2.786 -7.668 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.821 3.756 -6.577 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.812 3.976 -5.161 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.016 6.011 -6.537 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.625 6.587 -6.633 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.046 5.731 -5.131 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.210 4.867 -6.442 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.838 6.133 -8.713 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.495 4.390 -8.614 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.175 4.960 -8.748 1.00 0.00 H new ATOM 303 N THR A 19 -8.595 2.374 -6.356 1.00 0.00 N ATOM 304 CA THR A 19 -7.348 2.190 -5.639 1.00 0.00 C ATOM 305 C THR A 19 -6.563 3.489 -5.590 1.00 0.00 C ATOM 306 O THR A 19 -6.148 4.013 -6.624 1.00 0.00 O ATOM 307 CB THR A 19 -6.483 1.113 -6.322 1.00 0.00 C ATOM 308 OG1 THR A 19 -7.227 -0.103 -6.457 1.00 0.00 O ATOM 309 CG2 THR A 19 -5.207 0.844 -5.534 1.00 0.00 C ATOM 0 H THR A 19 -8.493 2.384 -7.371 1.00 0.00 H new ATOM 0 HA THR A 19 -7.592 1.873 -4.625 1.00 0.00 H new ATOM 0 HB THR A 19 -6.206 1.485 -7.308 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.007 -0.528 -7.312 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.620 0.080 -6.043 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.624 1.762 -5.462 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.464 0.498 -4.533 1.00 0.00 H new ATOM 317 N VAL A 20 -6.366 4.014 -4.398 1.00 0.00 N ATOM 318 CA VAL A 20 -5.581 5.222 -4.238 1.00 0.00 C ATOM 319 C VAL A 20 -4.294 4.928 -3.475 1.00 0.00 C ATOM 320 O VAL A 20 -4.298 4.183 -2.487 1.00 0.00 O ATOM 321 CB VAL A 20 -6.384 6.338 -3.527 1.00 0.00 C ATOM 322 CG1 VAL A 20 -6.737 5.955 -2.102 1.00 0.00 C ATOM 323 CG2 VAL A 20 -5.617 7.646 -3.538 1.00 0.00 C ATOM 0 H VAL A 20 -6.736 3.626 -3.530 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.327 5.580 -5.236 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.313 6.468 -4.082 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.300 6.764 -1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.342 5.048 -2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.823 5.777 -1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.202 8.415 -3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.666 7.515 -3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.431 7.950 -4.568 1.00 0.00 H new ATOM 333 N ALA A 21 -3.189 5.493 -3.947 1.00 0.00 N ATOM 334 CA ALA A 21 -1.914 5.347 -3.262 1.00 0.00 C ATOM 335 C ALA A 21 -1.886 6.265 -2.050 1.00 0.00 C ATOM 336 O ALA A 21 -1.752 7.483 -2.182 1.00 0.00 O ATOM 337 CB ALA A 21 -0.757 5.654 -4.203 1.00 0.00 C ATOM 0 H ALA A 21 -3.152 6.054 -4.798 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.802 4.315 -2.929 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.186 5.538 -3.669 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.783 4.966 -5.048 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.845 6.678 -4.566 1.00 0.00 H new ATOM 343 N LEU A 22 -2.039 5.680 -0.874 1.00 0.00 N ATOM 344 CA LEU A 22 -2.184 6.450 0.347 1.00 0.00 C ATOM 345 C LEU A 22 -1.474 5.756 1.511 1.00 0.00 C ATOM 346 O LEU A 22 -1.961 4.756 2.042 1.00 0.00 O ATOM 347 CB LEU A 22 -3.676 6.647 0.636 1.00 0.00 C ATOM 348 CG LEU A 22 -4.020 7.513 1.845 1.00 0.00 C ATOM 349 CD1 LEU A 22 -3.255 8.826 1.802 1.00 0.00 C ATOM 350 CD2 LEU A 22 -5.521 7.772 1.887 1.00 0.00 C ATOM 0 H LEU A 22 -2.066 4.669 -0.740 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.716 7.427 0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.140 7.089 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.130 5.666 0.777 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.727 6.981 2.750 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.515 9.427 2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.184 8.623 1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.516 9.370 0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.759 8.391 2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.827 8.288 0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.052 6.823 1.962 1.00 0.00 H new ATOM 362 N PRO A 23 -0.289 6.262 1.888 1.00 0.00 N ATOM 363 CA PRO A 23 0.498 5.700 2.989 1.00 0.00 C ATOM 364 C PRO A 23 -0.149 5.933 4.354 1.00 0.00 C ATOM 365 O PRO A 23 -0.528 4.985 5.037 1.00 0.00 O ATOM 366 CB PRO A 23 1.838 6.431 2.890 1.00 0.00 C ATOM 367 CG PRO A 23 1.539 7.701 2.167 1.00 0.00 C ATOM 368 CD PRO A 23 0.386 7.407 1.250 1.00 0.00 C ATOM 0 HA PRO A 23 0.588 4.617 2.907 1.00 0.00 H new ATOM 0 HB2 PRO A 23 2.252 6.629 3.879 1.00 0.00 H new ATOM 0 HB3 PRO A 23 2.573 5.834 2.350 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.285 8.496 2.868 1.00 0.00 H new ATOM 0 HG3 PRO A 23 2.408 8.040 1.602 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.281 8.264 1.159 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.727 7.160 0.245 1.00 0.00 H new ATOM 376 N ASP A 24 -0.271 7.197 4.748 1.00 0.00 N ATOM 377 CA ASP A 24 -0.896 7.541 6.020 1.00 0.00 C ATOM 378 C ASP A 24 -2.180 8.318 5.779 1.00 0.00 C ATOM 379 O ASP A 24 -2.157 9.434 5.244 1.00 0.00 O ATOM 380 CB ASP A 24 0.057 8.346 6.899 1.00 0.00 C ATOM 381 CG ASP A 24 -0.574 8.733 8.219 1.00 0.00 C ATOM 382 OD1 ASP A 24 -0.905 7.828 9.014 1.00 0.00 O ATOM 383 OD2 ASP A 24 -0.731 9.940 8.473 1.00 0.00 O ATOM 0 H ASP A 24 0.054 7.998 4.206 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.136 6.616 6.544 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.958 7.761 7.086 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.366 9.246 6.368 1.00 0.00 H new ATOM 388 N ALA A 25 -3.292 7.727 6.177 1.00 0.00 N ATOM 389 CA ALA A 25 -4.603 8.241 5.819 1.00 0.00 C ATOM 390 C ALA A 25 -5.367 8.783 7.023 1.00 0.00 C ATOM 391 O ALA A 25 -5.374 8.171 8.091 1.00 0.00 O ATOM 392 CB ALA A 25 -5.407 7.147 5.150 1.00 0.00 C ATOM 0 H ALA A 25 -3.314 6.885 6.752 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.453 9.075 5.133 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.391 7.531 4.881 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.889 6.813 4.251 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.521 6.308 5.836 1.00 0.00 H new ATOM 398 N LYS A 26 -6.026 9.923 6.824 1.00 0.00 N ATOM 399 CA LYS A 26 -6.864 10.543 7.845 1.00 0.00 C ATOM 400 C LYS A 26 -7.938 11.386 7.173 1.00 0.00 C ATOM 401 O LYS A 26 -7.756 11.829 6.039 1.00 0.00 O ATOM 402 CB LYS A 26 -6.038 11.422 8.797 1.00 0.00 C ATOM 403 CG LYS A 26 -5.280 10.643 9.862 1.00 0.00 C ATOM 404 CD LYS A 26 -6.231 9.844 10.741 1.00 0.00 C ATOM 405 CE LYS A 26 -5.483 8.999 11.761 1.00 0.00 C ATOM 406 NZ LYS A 26 -4.700 9.830 12.714 1.00 0.00 N ATOM 0 H LYS A 26 -5.993 10.443 5.947 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.323 9.750 8.435 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.326 12.003 8.211 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.703 12.133 9.287 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.568 9.969 9.386 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.703 11.332 10.479 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.906 10.525 11.259 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.847 9.198 10.116 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.195 8.387 12.315 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.812 8.315 11.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.318 9.225 13.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.916 10.291 12.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.318 10.556 13.131 1.00 0.00 H new ATOM 420 N ASP A 27 -9.057 11.583 7.867 1.00 0.00 N ATOM 421 CA ASP A 27 -10.165 12.403 7.361 1.00 0.00 C ATOM 422 C ASP A 27 -10.691 11.892 6.025 1.00 0.00 C ATOM 423 O ASP A 27 -11.235 12.663 5.233 1.00 0.00 O ATOM 424 CB ASP A 27 -9.750 13.874 7.227 1.00 0.00 C ATOM 425 CG ASP A 27 -10.009 14.664 8.490 1.00 0.00 C ATOM 426 OD1 ASP A 27 -11.140 15.174 8.655 1.00 0.00 O ATOM 427 OD2 ASP A 27 -9.098 14.763 9.337 1.00 0.00 O ATOM 0 H ASP A 27 -9.225 11.183 8.790 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.969 12.326 8.093 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.690 13.928 6.979 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.295 14.328 6.399 1.00 0.00 H new ATOM 432 N ILE A 28 -10.553 10.589 5.792 1.00 0.00 N ATOM 433 CA ILE A 28 -11.025 9.978 4.558 1.00 0.00 C ATOM 434 C ILE A 28 -12.535 10.156 4.427 1.00 0.00 C ATOM 435 O ILE A 28 -13.307 9.500 5.131 1.00 0.00 O ATOM 436 CB ILE A 28 -10.709 8.470 4.510 1.00 0.00 C ATOM 437 CG1 ILE A 28 -9.215 8.208 4.716 1.00 0.00 C ATOM 438 CG2 ILE A 28 -11.162 7.885 3.177 1.00 0.00 C ATOM 439 CD1 ILE A 28 -8.894 6.738 4.884 1.00 0.00 C ATOM 0 H ILE A 28 -10.117 9.937 6.444 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.508 10.475 3.737 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.252 7.985 5.321 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -8.661 8.601 3.863 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.873 8.753 5.596 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -10.935 6.819 3.151 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -12.236 8.030 3.062 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.639 8.387 2.363 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.820 6.614 5.026 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -9.423 6.347 5.753 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.207 6.193 3.993 1.00 0.00 H new ATOM 451 N SER A 29 -12.949 11.043 3.537 1.00 0.00 N ATOM 452 CA SER A 29 -14.355 11.290 3.311 1.00 0.00 C ATOM 453 C SER A 29 -14.694 11.139 1.834 1.00 0.00 C ATOM 454 O SER A 29 -14.233 11.913 0.996 1.00 0.00 O ATOM 455 CB SER A 29 -14.714 12.693 3.803 1.00 0.00 C ATOM 456 OG SER A 29 -14.374 12.845 5.172 1.00 0.00 O ATOM 0 H SER A 29 -12.324 11.604 2.959 1.00 0.00 H new ATOM 0 HA SER A 29 -14.939 10.557 3.868 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.188 13.439 3.207 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.781 12.870 3.666 1.00 0.00 H new ATOM 0 HG SER A 29 -13.399 12.829 5.271 1.00 0.00 H new ATOM 462 N VAL A 30 -15.493 10.132 1.519 1.00 0.00 N ATOM 463 CA VAL A 30 -15.900 9.887 0.148 1.00 0.00 C ATOM 464 C VAL A 30 -17.359 10.278 -0.021 1.00 0.00 C ATOM 465 O VAL A 30 -18.244 9.700 0.611 1.00 0.00 O ATOM 466 CB VAL A 30 -15.714 8.403 -0.240 1.00 0.00 C ATOM 467 CG1 VAL A 30 -15.985 8.193 -1.721 1.00 0.00 C ATOM 468 CG2 VAL A 30 -14.314 7.926 0.121 1.00 0.00 C ATOM 0 H VAL A 30 -15.872 9.471 2.197 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.271 10.489 -0.508 1.00 0.00 H new ATOM 0 HB VAL A 30 -16.435 7.812 0.324 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -15.848 7.141 -1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -17.009 8.489 -1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -15.293 8.798 -2.307 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -14.203 6.879 -0.160 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -13.576 8.525 -0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -14.159 8.032 1.195 1.00 0.00 H new ATOM 478 N LYS A 31 -17.608 11.270 -0.856 1.00 0.00 N ATOM 479 CA LYS A 31 -18.955 11.771 -1.036 1.00 0.00 C ATOM 480 C LYS A 31 -19.327 11.754 -2.508 1.00 0.00 C ATOM 481 O LYS A 31 -18.898 12.623 -3.270 1.00 0.00 O ATOM 482 CB LYS A 31 -19.067 13.187 -0.467 1.00 0.00 C ATOM 483 CG LYS A 31 -20.487 13.581 -0.096 1.00 0.00 C ATOM 484 CD LYS A 31 -21.041 12.680 0.998 1.00 0.00 C ATOM 485 CE LYS A 31 -20.205 12.764 2.266 1.00 0.00 C ATOM 486 NZ LYS A 31 -20.661 11.806 3.306 1.00 0.00 N ATOM 0 H LYS A 31 -16.898 11.742 -1.417 1.00 0.00 H new ATOM 0 HA LYS A 31 -19.650 11.126 -0.498 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -18.434 13.266 0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -18.681 13.896 -1.200 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -20.503 14.618 0.240 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -21.126 13.522 -0.977 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -22.069 12.965 1.219 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -21.065 11.649 0.644 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -19.161 12.565 2.024 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -20.252 13.778 2.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -20.062 11.900 4.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -21.649 12.011 3.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -20.592 10.836 2.938 1.00 0.00 H new ATOM 500 N CYS A 32 -20.104 10.751 -2.905 1.00 0.00 N ATOM 501 CA CYS A 32 -20.483 10.573 -4.300 1.00 0.00 C ATOM 502 C CYS A 32 -22.004 10.532 -4.461 1.00 0.00 C ATOM 503 O CYS A 32 -22.716 10.084 -3.562 1.00 0.00 O ATOM 504 CB CYS A 32 -19.860 9.288 -4.851 1.00 0.00 C ATOM 505 SG CYS A 32 -18.051 9.278 -4.822 1.00 0.00 S ATOM 0 H CYS A 32 -20.485 10.045 -2.275 1.00 0.00 H new ATOM 0 HA CYS A 32 -20.108 11.426 -4.865 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -20.227 8.441 -4.272 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -20.198 9.143 -5.877 1.00 0.00 H new ATOM 0 HG CYS A 32 -17.602 10.345 -5.413 1.00 0.00 H new ATOM 511 N GLU A 33 -22.496 11.019 -5.600 1.00 0.00 N ATOM 512 CA GLU A 33 -23.913 10.951 -5.914 1.00 0.00 C ATOM 513 C GLU A 33 -24.168 9.740 -6.795 1.00 0.00 C ATOM 514 O GLU A 33 -23.217 9.155 -7.318 1.00 0.00 O ATOM 515 CB GLU A 33 -24.365 12.235 -6.620 1.00 0.00 C ATOM 516 CG GLU A 33 -24.621 13.392 -5.673 1.00 0.00 C ATOM 517 CD GLU A 33 -25.744 13.106 -4.697 1.00 0.00 C ATOM 518 OE1 GLU A 33 -26.910 13.408 -5.024 1.00 0.00 O ATOM 519 OE2 GLU A 33 -25.467 12.576 -3.599 1.00 0.00 O ATOM 0 H GLU A 33 -21.927 11.465 -6.320 1.00 0.00 H new ATOM 0 HA GLU A 33 -24.486 10.854 -4.992 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -23.604 12.530 -7.342 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -25.276 12.029 -7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -23.709 13.612 -5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -24.865 14.283 -6.251 1.00 0.00 H new ATOM 526 N PRO A 34 -25.440 9.330 -6.977 1.00 0.00 N ATOM 527 CA PRO A 34 -25.800 8.210 -7.867 1.00 0.00 C ATOM 528 C PRO A 34 -25.413 8.472 -9.326 1.00 0.00 C ATOM 529 O PRO A 34 -25.742 7.690 -10.217 1.00 0.00 O ATOM 530 CB PRO A 34 -27.324 8.106 -7.732 1.00 0.00 C ATOM 531 CG PRO A 34 -27.652 8.815 -6.464 1.00 0.00 C ATOM 532 CD PRO A 34 -26.630 9.904 -6.324 1.00 0.00 C ATOM 0 HA PRO A 34 -25.273 7.297 -7.591 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -27.827 8.566 -8.582 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -27.646 7.065 -7.696 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -28.660 9.228 -6.497 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -27.615 8.133 -5.615 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -26.952 10.825 -6.811 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -26.439 10.146 -5.278 1.00 0.00 H new ATOM 540 N GLN A 35 -24.708 9.573 -9.541 1.00 0.00 N ATOM 541 CA GLN A 35 -24.196 9.944 -10.849 1.00 0.00 C ATOM 542 C GLN A 35 -22.822 10.615 -10.722 1.00 0.00 C ATOM 543 O GLN A 35 -22.274 11.119 -11.702 1.00 0.00 O ATOM 544 CB GLN A 35 -25.189 10.868 -11.561 1.00 0.00 C ATOM 545 CG GLN A 35 -25.538 12.122 -10.772 1.00 0.00 C ATOM 546 CD GLN A 35 -26.710 12.872 -11.372 1.00 0.00 C ATOM 547 OE1 GLN A 35 -27.596 12.274 -11.978 1.00 0.00 O ATOM 548 NE2 GLN A 35 -26.730 14.182 -11.199 1.00 0.00 N ATOM 0 H GLN A 35 -24.474 10.239 -8.805 1.00 0.00 H new ATOM 0 HA GLN A 35 -24.075 9.040 -11.446 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -24.771 11.161 -12.524 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -26.104 10.313 -11.766 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -25.773 11.848 -9.744 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -24.669 12.779 -10.736 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -25.975 14.641 -10.690 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -27.501 14.734 -11.575 1.00 0.00 H new ATOM 557 N GLY A 36 -22.263 10.622 -9.511 1.00 0.00 N ATOM 558 CA GLY A 36 -20.938 11.172 -9.319 1.00 0.00 C ATOM 559 C GLY A 36 -20.897 12.273 -8.279 1.00 0.00 C ATOM 560 O GLY A 36 -21.810 13.081 -8.188 1.00 0.00 O ATOM 0 H GLY A 36 -22.705 10.258 -8.667 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -20.259 10.373 -9.021 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -20.572 11.563 -10.268 1.00 0.00 H new ATOM 564 N LEU A 37 -19.905 12.215 -7.406 1.00 0.00 N ATOM 565 CA LEU A 37 -19.569 13.323 -6.517 1.00 0.00 C ATOM 566 C LEU A 37 -18.100 13.192 -6.080 1.00 0.00 C ATOM 567 O LEU A 37 -17.424 12.237 -6.461 1.00 0.00 O ATOM 568 CB LEU A 37 -20.531 13.472 -5.336 1.00 0.00 C ATOM 569 CG LEU A 37 -21.340 14.775 -5.295 1.00 0.00 C ATOM 570 CD1 LEU A 37 -22.003 14.941 -3.938 1.00 0.00 C ATOM 571 CD2 LEU A 37 -20.463 15.979 -5.610 1.00 0.00 C ATOM 0 H LEU A 37 -19.306 11.397 -7.291 1.00 0.00 H new ATOM 0 HA LEU A 37 -19.689 14.253 -7.073 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -21.228 12.634 -5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -19.958 13.393 -4.412 1.00 0.00 H new ATOM 0 HG LEU A 37 -22.114 14.716 -6.060 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -22.574 15.870 -3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -22.673 14.101 -3.755 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -21.239 14.972 -3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -21.065 16.887 -5.573 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -19.660 16.046 -4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -20.036 15.867 -6.606 1.00 0.00 H new ATOM 583 N PHE A 38 -17.610 14.138 -5.292 1.00 0.00 N ATOM 584 CA PHE A 38 -16.170 14.282 -5.066 1.00 0.00 C ATOM 585 C PHE A 38 -15.707 13.549 -3.801 1.00 0.00 C ATOM 586 O PHE A 38 -16.447 13.420 -2.830 1.00 0.00 O ATOM 587 CB PHE A 38 -15.795 15.767 -4.971 1.00 0.00 C ATOM 588 CG PHE A 38 -16.335 16.459 -3.746 1.00 0.00 C ATOM 589 CD1 PHE A 38 -17.647 16.901 -3.704 1.00 0.00 C ATOM 590 CD2 PHE A 38 -15.528 16.664 -2.637 1.00 0.00 C ATOM 591 CE1 PHE A 38 -18.145 17.530 -2.579 1.00 0.00 C ATOM 592 CE2 PHE A 38 -16.020 17.293 -1.511 1.00 0.00 C ATOM 593 CZ PHE A 38 -17.330 17.727 -1.481 1.00 0.00 C ATOM 0 H PHE A 38 -18.184 14.820 -4.796 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.663 13.827 -5.917 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -14.709 15.858 -4.978 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -16.163 16.282 -5.858 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -18.288 16.752 -4.560 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -14.502 16.327 -2.654 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -19.171 17.867 -2.558 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -15.380 17.445 -0.654 1.00 0.00 H new ATOM 0 HZ PHE A 38 -17.717 18.219 -0.601 1.00 0.00 H new ATOM 603 N SER A 39 -14.469 13.089 -3.812 1.00 0.00 N ATOM 604 CA SER A 39 -13.894 12.431 -2.652 1.00 0.00 C ATOM 605 C SER A 39 -12.739 13.266 -2.105 1.00 0.00 C ATOM 606 O SER A 39 -11.931 13.800 -2.871 1.00 0.00 O ATOM 607 CB SER A 39 -13.422 11.023 -3.017 1.00 0.00 C ATOM 608 OG SER A 39 -12.914 10.335 -1.886 1.00 0.00 O ATOM 0 H SER A 39 -13.841 13.159 -4.613 1.00 0.00 H new ATOM 0 HA SER A 39 -14.657 12.341 -1.878 1.00 0.00 H new ATOM 0 HB2 SER A 39 -14.251 10.460 -3.444 1.00 0.00 H new ATOM 0 HB3 SER A 39 -12.650 11.084 -3.784 1.00 0.00 H new ATOM 0 HG SER A 39 -12.622 9.438 -2.152 1.00 0.00 H new ATOM 614 N PHE A 40 -12.666 13.371 -0.785 1.00 0.00 N ATOM 615 CA PHE A 40 -11.685 14.227 -0.125 1.00 0.00 C ATOM 616 C PHE A 40 -11.016 13.501 1.037 1.00 0.00 C ATOM 617 O PHE A 40 -11.679 13.075 1.983 1.00 0.00 O ATOM 618 CB PHE A 40 -12.376 15.506 0.367 1.00 0.00 C ATOM 619 CG PHE A 40 -11.549 16.337 1.304 1.00 0.00 C ATOM 620 CD1 PHE A 40 -10.326 16.845 0.909 1.00 0.00 C ATOM 621 CD2 PHE A 40 -12.007 16.618 2.582 1.00 0.00 C ATOM 622 CE1 PHE A 40 -9.573 17.619 1.767 1.00 0.00 C ATOM 623 CE2 PHE A 40 -11.258 17.388 3.448 1.00 0.00 C ATOM 624 CZ PHE A 40 -10.040 17.889 3.040 1.00 0.00 C ATOM 0 H PHE A 40 -13.280 12.869 -0.143 1.00 0.00 H new ATOM 0 HA PHE A 40 -10.907 14.488 -0.843 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -12.645 16.114 -0.497 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -13.305 15.233 0.867 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -9.956 16.633 -0.083 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -12.962 16.229 2.904 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -8.620 18.013 1.445 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -11.625 17.598 4.442 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.451 18.492 3.715 1.00 0.00 H new ATOM 634 N SER A 41 -9.704 13.342 0.955 1.00 0.00 N ATOM 635 CA SER A 41 -8.957 12.709 2.026 1.00 0.00 C ATOM 636 C SER A 41 -7.730 13.538 2.392 1.00 0.00 C ATOM 637 O SER A 41 -7.307 14.407 1.632 1.00 0.00 O ATOM 638 CB SER A 41 -8.578 11.282 1.637 1.00 0.00 C ATOM 639 OG SER A 41 -7.927 10.602 2.700 1.00 0.00 O ATOM 0 H SER A 41 -9.138 13.642 0.161 1.00 0.00 H new ATOM 0 HA SER A 41 -9.590 12.656 2.912 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.475 10.733 1.349 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.924 11.304 0.765 1.00 0.00 H new ATOM 0 HG SER A 41 -7.560 9.755 2.370 1.00 0.00 H new ATOM 645 N ALA A 42 -7.172 13.283 3.564 1.00 0.00 N ATOM 646 CA ALA A 42 -6.011 14.025 4.022 1.00 0.00 C ATOM 647 C ALA A 42 -4.809 13.111 4.216 1.00 0.00 C ATOM 648 O ALA A 42 -4.949 11.928 4.545 1.00 0.00 O ATOM 649 CB ALA A 42 -6.326 14.767 5.316 1.00 0.00 C ATOM 0 H ALA A 42 -7.504 12.570 4.213 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.758 14.753 3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.444 15.317 5.644 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.146 15.464 5.145 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.613 14.051 6.086 1.00 0.00 H new ATOM 655 N LEU A 43 -3.634 13.672 3.992 1.00 0.00 N ATOM 656 CA LEU A 43 -2.380 12.984 4.231 1.00 0.00 C ATOM 657 C LEU A 43 -1.867 13.382 5.605 1.00 0.00 C ATOM 658 O LEU A 43 -1.408 14.516 5.797 1.00 0.00 O ATOM 659 CB LEU A 43 -1.345 13.383 3.175 1.00 0.00 C ATOM 660 CG LEU A 43 -1.846 13.385 1.729 1.00 0.00 C ATOM 661 CD1 LEU A 43 -0.899 14.172 0.839 1.00 0.00 C ATOM 662 CD2 LEU A 43 -1.987 11.961 1.216 1.00 0.00 C ATOM 0 H LEU A 43 -3.524 14.622 3.638 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.541 11.907 4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.974 14.380 3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.497 12.701 3.246 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.825 13.864 1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.271 14.163 -0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.837 15.201 1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.091 13.718 0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.344 11.979 0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.018 11.462 1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.700 11.419 1.838 1.00 0.00 H new ATOM 674 N GLY A 44 -1.928 12.451 6.539 1.00 0.00 N ATOM 675 CA GLY A 44 -1.635 12.761 7.925 1.00 0.00 C ATOM 676 C GLY A 44 -0.181 13.108 8.159 1.00 0.00 C ATOM 677 O GLY A 44 0.132 14.202 8.624 1.00 0.00 O ATOM 0 H GLY A 44 -2.177 11.477 6.364 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.258 13.597 8.244 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.904 11.907 8.547 1.00 0.00 H new ATOM 681 N ALA A 45 0.708 12.188 7.810 1.00 0.00 N ATOM 682 CA ALA A 45 2.147 12.362 8.026 1.00 0.00 C ATOM 683 C ALA A 45 2.731 13.495 7.179 1.00 0.00 C ATOM 684 O ALA A 45 3.910 13.827 7.302 1.00 0.00 O ATOM 685 CB ALA A 45 2.879 11.061 7.730 1.00 0.00 C ATOM 0 H ALA A 45 0.459 11.302 7.371 1.00 0.00 H new ATOM 0 HA ALA A 45 2.286 12.635 9.072 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.948 11.200 7.893 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.510 10.277 8.391 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.705 10.773 6.693 1.00 0.00 H new ATOM 691 N GLN A 46 1.914 14.070 6.308 1.00 0.00 N ATOM 692 CA GLN A 46 2.351 15.197 5.493 1.00 0.00 C ATOM 693 C GLN A 46 1.660 16.491 5.917 1.00 0.00 C ATOM 694 O GLN A 46 2.183 17.583 5.698 1.00 0.00 O ATOM 695 CB GLN A 46 2.095 14.923 4.010 1.00 0.00 C ATOM 696 CG GLN A 46 3.056 13.908 3.411 1.00 0.00 C ATOM 697 CD GLN A 46 2.800 13.654 1.939 1.00 0.00 C ATOM 698 OE1 GLN A 46 3.320 14.361 1.077 1.00 0.00 O ATOM 699 NE2 GLN A 46 2.012 12.636 1.639 1.00 0.00 N ATOM 0 H GLN A 46 0.950 13.778 6.147 1.00 0.00 H new ATOM 0 HA GLN A 46 3.423 15.319 5.648 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.074 14.564 3.885 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.174 15.858 3.456 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.079 14.262 3.541 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.972 12.968 3.957 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.600 12.073 2.383 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.816 12.413 0.663 1.00 0.00 H new ATOM 708 N GLY A 47 0.484 16.363 6.519 1.00 0.00 N ATOM 709 CA GLY A 47 -0.274 17.530 6.933 1.00 0.00 C ATOM 710 C GLY A 47 -0.922 18.234 5.758 1.00 0.00 C ATOM 711 O GLY A 47 -1.305 19.399 5.854 1.00 0.00 O ATOM 0 H GLY A 47 0.040 15.469 6.729 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.043 17.229 7.644 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.386 18.225 7.453 1.00 0.00 H new ATOM 715 N GLU A 48 -1.046 17.524 4.647 1.00 0.00 N ATOM 716 CA GLU A 48 -1.606 18.109 3.436 1.00 0.00 C ATOM 717 C GLU A 48 -2.855 17.346 3.021 1.00 0.00 C ATOM 718 O GLU A 48 -3.059 16.221 3.452 1.00 0.00 O ATOM 719 CB GLU A 48 -0.573 18.124 2.306 1.00 0.00 C ATOM 720 CG GLU A 48 -0.941 19.077 1.182 1.00 0.00 C ATOM 721 CD GLU A 48 0.154 19.248 0.149 1.00 0.00 C ATOM 722 OE1 GLU A 48 1.320 19.467 0.536 1.00 0.00 O ATOM 723 OE2 GLU A 48 -0.154 19.217 -1.059 1.00 0.00 O ATOM 0 H GLU A 48 -0.768 16.547 4.558 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.882 19.143 3.644 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.398 18.407 2.712 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.469 17.117 1.902 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.841 18.712 0.688 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.183 20.051 1.607 1.00 0.00 H new ATOM 730 N ARG A 49 -3.692 17.954 2.197 1.00 0.00 N ATOM 731 CA ARG A 49 -4.923 17.311 1.760 1.00 0.00 C ATOM 732 C ARG A 49 -4.804 16.814 0.326 1.00 0.00 C ATOM 733 O ARG A 49 -3.959 17.283 -0.438 1.00 0.00 O ATOM 734 CB ARG A 49 -6.105 18.279 1.853 1.00 0.00 C ATOM 735 CG ARG A 49 -6.577 18.578 3.268 1.00 0.00 C ATOM 736 CD ARG A 49 -5.657 19.537 4.003 1.00 0.00 C ATOM 737 NE ARG A 49 -6.272 20.010 5.240 1.00 0.00 N ATOM 738 CZ ARG A 49 -5.668 20.772 6.146 1.00 0.00 C ATOM 739 NH1 ARG A 49 -4.415 21.179 5.962 1.00 0.00 N ATOM 740 NH2 ARG A 49 -6.330 21.145 7.232 1.00 0.00 N ATOM 0 H ARG A 49 -3.544 18.889 1.817 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.095 16.461 2.421 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.827 19.217 1.372 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.940 17.866 1.287 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.581 19.001 3.230 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.646 17.646 3.828 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.714 19.040 4.229 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.424 20.386 3.361 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.237 19.735 5.422 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.909 20.906 5.119 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.960 21.764 6.663 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.296 20.847 7.368 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.873 21.730 7.932 1.00 0.00 H new ATOM 754 N PHE A 50 -5.647 15.858 -0.040 1.00 0.00 N ATOM 755 CA PHE A 50 -5.730 15.420 -1.418 1.00 0.00 C ATOM 756 C PHE A 50 -7.185 15.191 -1.793 1.00 0.00 C ATOM 757 O PHE A 50 -7.974 14.669 -1.003 1.00 0.00 O ATOM 758 CB PHE A 50 -4.858 14.181 -1.664 1.00 0.00 C ATOM 759 CG PHE A 50 -5.482 12.845 -1.385 1.00 0.00 C ATOM 760 CD1 PHE A 50 -6.217 12.178 -2.355 1.00 0.00 C ATOM 761 CD2 PHE A 50 -5.285 12.237 -0.168 1.00 0.00 C ATOM 762 CE1 PHE A 50 -6.747 10.927 -2.104 1.00 0.00 C ATOM 763 CE2 PHE A 50 -5.813 10.990 0.095 1.00 0.00 C ATOM 764 CZ PHE A 50 -6.542 10.331 -0.875 1.00 0.00 C ATOM 0 H PHE A 50 -6.279 15.375 0.599 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.334 16.201 -2.067 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -4.536 14.194 -2.705 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.961 14.271 -1.052 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -6.377 12.642 -3.317 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.709 12.743 0.593 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -7.319 10.417 -2.865 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.656 10.529 1.059 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.951 9.352 -0.673 1.00 0.00 H new ATOM 774 N GLU A 51 -7.541 15.592 -2.995 1.00 0.00 N ATOM 775 CA GLU A 51 -8.946 15.643 -3.385 1.00 0.00 C ATOM 776 C GLU A 51 -9.138 15.389 -4.874 1.00 0.00 C ATOM 777 O GLU A 51 -8.357 15.858 -5.702 1.00 0.00 O ATOM 778 CB GLU A 51 -9.529 17.008 -3.009 1.00 0.00 C ATOM 779 CG GLU A 51 -8.742 18.180 -3.575 1.00 0.00 C ATOM 780 CD GLU A 51 -9.293 19.523 -3.150 1.00 0.00 C ATOM 781 OE1 GLU A 51 -8.917 20.009 -2.066 1.00 0.00 O ATOM 782 OE2 GLU A 51 -10.093 20.109 -3.907 1.00 0.00 O ATOM 0 H GLU A 51 -6.886 15.887 -3.719 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.470 14.851 -2.851 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.558 17.065 -3.365 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.562 17.093 -1.923 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.703 18.102 -3.254 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.745 18.120 -4.663 1.00 0.00 H new ATOM 789 N PHE A 52 -10.189 14.654 -5.203 1.00 0.00 N ATOM 790 CA PHE A 52 -10.520 14.362 -6.588 1.00 0.00 C ATOM 791 C PHE A 52 -12.026 14.178 -6.745 1.00 0.00 C ATOM 792 O PHE A 52 -12.685 13.578 -5.894 1.00 0.00 O ATOM 793 CB PHE A 52 -9.765 13.118 -7.082 1.00 0.00 C ATOM 794 CG PHE A 52 -9.955 11.891 -6.230 1.00 0.00 C ATOM 795 CD1 PHE A 52 -9.161 11.674 -5.116 1.00 0.00 C ATOM 796 CD2 PHE A 52 -10.924 10.953 -6.549 1.00 0.00 C ATOM 797 CE1 PHE A 52 -9.331 10.547 -4.336 1.00 0.00 C ATOM 798 CE2 PHE A 52 -11.098 9.824 -5.772 1.00 0.00 C ATOM 799 CZ PHE A 52 -10.300 9.621 -4.664 1.00 0.00 C ATOM 0 H PHE A 52 -10.831 14.246 -4.524 1.00 0.00 H new ATOM 0 HA PHE A 52 -10.209 15.208 -7.201 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -10.088 12.892 -8.098 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.701 13.350 -7.130 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -8.400 12.394 -4.854 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.551 11.106 -7.415 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.706 10.390 -3.469 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.857 9.101 -6.031 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.434 8.739 -4.055 1.00 0.00 H new ATOM 809 N SER A 53 -12.568 14.715 -7.824 1.00 0.00 N ATOM 810 CA SER A 53 -13.991 14.622 -8.095 1.00 0.00 C ATOM 811 C SER A 53 -14.282 13.472 -9.058 1.00 0.00 C ATOM 812 O SER A 53 -13.720 13.404 -10.149 1.00 0.00 O ATOM 813 CB SER A 53 -14.486 15.951 -8.666 1.00 0.00 C ATOM 814 OG SER A 53 -13.537 16.494 -9.568 1.00 0.00 O ATOM 0 H SER A 53 -12.039 15.224 -8.532 1.00 0.00 H new ATOM 0 HA SER A 53 -14.521 14.416 -7.165 1.00 0.00 H new ATOM 0 HB2 SER A 53 -15.437 15.801 -9.178 1.00 0.00 H new ATOM 0 HB3 SER A 53 -14.668 16.656 -7.855 1.00 0.00 H new ATOM 0 HG SER A 53 -13.873 17.343 -9.924 1.00 0.00 H new ATOM 820 N LEU A 54 -15.148 12.560 -8.649 1.00 0.00 N ATOM 821 CA LEU A 54 -15.477 11.414 -9.479 1.00 0.00 C ATOM 822 C LEU A 54 -16.914 11.486 -9.962 1.00 0.00 C ATOM 823 O LEU A 54 -17.851 11.201 -9.214 1.00 0.00 O ATOM 824 CB LEU A 54 -15.242 10.106 -8.723 1.00 0.00 C ATOM 825 CG LEU A 54 -13.780 9.782 -8.409 1.00 0.00 C ATOM 826 CD1 LEU A 54 -13.682 8.451 -7.681 1.00 0.00 C ATOM 827 CD2 LEU A 54 -12.954 9.749 -9.687 1.00 0.00 C ATOM 0 H LEU A 54 -15.633 12.590 -7.752 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.819 11.436 -10.347 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.797 10.143 -7.786 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.660 9.287 -9.309 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.382 10.565 -7.763 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.637 8.232 -7.463 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.244 8.504 -6.748 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.095 7.662 -8.309 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.917 9.517 -9.444 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.350 8.985 -10.356 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.003 10.721 -10.177 1.00 0.00 H new ATOM 839 N GLU A 55 -17.083 11.897 -11.207 1.00 0.00 N ATOM 840 CA GLU A 55 -18.383 11.877 -11.844 1.00 0.00 C ATOM 841 C GLU A 55 -18.490 10.608 -12.674 1.00 0.00 C ATOM 842 O GLU A 55 -17.626 10.337 -13.508 1.00 0.00 O ATOM 843 CB GLU A 55 -18.560 13.114 -12.725 1.00 0.00 C ATOM 844 CG GLU A 55 -18.354 14.424 -11.984 1.00 0.00 C ATOM 845 CD GLU A 55 -18.461 15.629 -12.894 1.00 0.00 C ATOM 846 OE1 GLU A 55 -17.519 15.879 -13.670 1.00 0.00 O ATOM 847 OE2 GLU A 55 -19.487 16.331 -12.842 1.00 0.00 O ATOM 0 H GLU A 55 -16.330 12.250 -11.797 1.00 0.00 H new ATOM 0 HA GLU A 55 -19.170 11.890 -11.090 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -17.856 13.062 -13.556 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -19.562 13.103 -13.155 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -19.094 14.507 -11.188 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.373 14.418 -11.508 1.00 0.00 H new ATOM 854 N LEU A 56 -19.527 9.819 -12.440 1.00 0.00 N ATOM 855 CA LEU A 56 -19.643 8.531 -13.101 1.00 0.00 C ATOM 856 C LEU A 56 -20.649 8.588 -14.240 1.00 0.00 C ATOM 857 O LEU A 56 -21.646 9.307 -14.174 1.00 0.00 O ATOM 858 CB LEU A 56 -20.013 7.425 -12.106 1.00 0.00 C ATOM 859 CG LEU A 56 -18.938 7.095 -11.058 1.00 0.00 C ATOM 860 CD1 LEU A 56 -18.969 8.088 -9.906 1.00 0.00 C ATOM 861 CD2 LEU A 56 -19.106 5.675 -10.545 1.00 0.00 C ATOM 0 H LEU A 56 -20.292 10.045 -11.804 1.00 0.00 H new ATOM 0 HA LEU A 56 -18.667 8.290 -13.522 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -20.925 7.717 -11.586 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -20.242 6.518 -12.665 1.00 0.00 H new ATOM 0 HG LEU A 56 -17.965 7.174 -11.542 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -18.197 7.828 -9.181 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -18.786 9.093 -10.287 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -19.946 8.055 -9.424 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -18.335 5.462 -9.804 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -20.089 5.568 -10.087 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -19.015 4.975 -11.375 1.00 0.00 H new ATOM 873 N TYR A 57 -20.358 7.829 -15.285 1.00 0.00 N ATOM 874 CA TYR A 57 -21.128 7.857 -16.521 1.00 0.00 C ATOM 875 C TYR A 57 -22.578 7.438 -16.302 1.00 0.00 C ATOM 876 O TYR A 57 -23.502 8.094 -16.788 1.00 0.00 O ATOM 877 CB TYR A 57 -20.469 6.929 -17.538 1.00 0.00 C ATOM 878 CG TYR A 57 -20.765 7.269 -18.982 1.00 0.00 C ATOM 879 CD1 TYR A 57 -20.116 8.324 -19.610 1.00 0.00 C ATOM 880 CD2 TYR A 57 -21.670 6.521 -19.721 1.00 0.00 C ATOM 881 CE1 TYR A 57 -20.363 8.626 -20.935 1.00 0.00 C ATOM 882 CE2 TYR A 57 -21.925 6.819 -21.045 1.00 0.00 C ATOM 883 CZ TYR A 57 -21.267 7.871 -21.646 1.00 0.00 C ATOM 884 OH TYR A 57 -21.510 8.167 -22.967 1.00 0.00 O ATOM 0 H TYR A 57 -19.577 7.173 -15.301 1.00 0.00 H new ATOM 0 HA TYR A 57 -21.139 8.882 -16.891 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -19.390 6.952 -17.386 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -20.796 5.907 -17.344 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -19.406 8.918 -19.053 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -22.183 5.693 -19.254 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -19.850 9.449 -21.410 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -22.636 6.231 -21.607 1.00 0.00 H new ATOM 0 HH TYR A 57 -22.172 7.540 -23.326 1.00 0.00 H new ATOM 894 N GLY A 58 -22.775 6.358 -15.560 1.00 0.00 N ATOM 895 CA GLY A 58 -24.104 5.809 -15.407 1.00 0.00 C ATOM 896 C GLY A 58 -24.573 5.765 -13.969 1.00 0.00 C ATOM 897 O GLY A 58 -23.871 6.210 -13.063 1.00 0.00 O ATOM 0 H GLY A 58 -22.040 5.854 -15.063 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -24.805 6.404 -15.992 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -24.122 4.800 -15.819 1.00 0.00 H new ATOM 901 N LYS A 59 -25.762 5.214 -13.775 1.00 0.00 N ATOM 902 CA LYS A 59 -26.388 5.145 -12.460 1.00 0.00 C ATOM 903 C LYS A 59 -25.695 4.131 -11.543 1.00 0.00 C ATOM 904 O LYS A 59 -25.670 2.924 -11.806 1.00 0.00 O ATOM 905 CB LYS A 59 -27.883 4.824 -12.610 1.00 0.00 C ATOM 906 CG LYS A 59 -28.176 3.653 -13.537 1.00 0.00 C ATOM 907 CD LYS A 59 -29.649 3.589 -13.912 1.00 0.00 C ATOM 908 CE LYS A 59 -30.512 3.131 -12.749 1.00 0.00 C ATOM 909 NZ LYS A 59 -30.298 1.697 -12.444 1.00 0.00 N ATOM 0 H LYS A 59 -26.321 4.802 -14.523 1.00 0.00 H new ATOM 0 HA LYS A 59 -26.280 6.120 -11.985 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -28.298 4.607 -11.626 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -28.398 5.708 -12.985 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -27.574 3.745 -14.441 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -27.883 2.722 -13.052 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -29.981 4.572 -14.245 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -29.780 2.907 -14.752 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -30.283 3.729 -11.867 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -31.562 3.301 -12.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -30.797 1.451 -11.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -30.666 1.117 -13.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -29.281 1.515 -12.327 1.00 0.00 H new ATOM 923 N ILE A 60 -25.124 4.634 -10.460 1.00 0.00 N ATOM 924 CA ILE A 60 -24.475 3.780 -9.480 1.00 0.00 C ATOM 925 C ILE A 60 -25.240 3.773 -8.168 1.00 0.00 C ATOM 926 O ILE A 60 -25.960 4.720 -7.849 1.00 0.00 O ATOM 927 CB ILE A 60 -23.006 4.181 -9.202 1.00 0.00 C ATOM 928 CG1 ILE A 60 -22.870 5.685 -8.891 1.00 0.00 C ATOM 929 CG2 ILE A 60 -22.123 3.785 -10.375 1.00 0.00 C ATOM 930 CD1 ILE A 60 -22.732 6.571 -10.111 1.00 0.00 C ATOM 0 H ILE A 60 -25.097 5.629 -10.238 1.00 0.00 H new ATOM 0 HA ILE A 60 -24.473 2.782 -9.917 1.00 0.00 H new ATOM 0 HB ILE A 60 -22.674 3.641 -8.315 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -23.743 6.005 -8.322 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -22.001 5.833 -8.250 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -21.092 4.072 -10.168 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -22.176 2.706 -10.523 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -22.467 4.292 -11.277 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -22.642 7.611 -9.797 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -21.843 6.283 -10.671 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -23.612 6.458 -10.744 1.00 0.00 H new ATOM 942 N MET A 61 -25.079 2.697 -7.414 1.00 0.00 N ATOM 943 CA MET A 61 -25.738 2.548 -6.132 1.00 0.00 C ATOM 944 C MET A 61 -24.821 3.065 -5.038 1.00 0.00 C ATOM 945 O MET A 61 -24.013 2.324 -4.473 1.00 0.00 O ATOM 946 CB MET A 61 -26.103 1.080 -5.893 1.00 0.00 C ATOM 947 CG MET A 61 -26.882 0.833 -4.611 1.00 0.00 C ATOM 948 SD MET A 61 -27.426 -0.879 -4.461 1.00 0.00 S ATOM 949 CE MET A 61 -28.210 -0.850 -2.853 1.00 0.00 C ATOM 0 H MET A 61 -24.489 1.907 -7.675 1.00 0.00 H new ATOM 0 HA MET A 61 -26.661 3.128 -6.123 1.00 0.00 H new ATOM 0 HB2 MET A 61 -26.691 0.721 -6.737 1.00 0.00 H new ATOM 0 HB3 MET A 61 -25.188 0.489 -5.868 1.00 0.00 H new ATOM 0 HG2 MET A 61 -26.259 1.090 -3.754 1.00 0.00 H new ATOM 0 HG3 MET A 61 -27.750 1.492 -4.583 1.00 0.00 H new ATOM 0 HE1 MET A 61 -28.374 -1.871 -2.510 1.00 0.00 H new ATOM 0 HE2 MET A 61 -27.567 -0.328 -2.144 1.00 0.00 H new ATOM 0 HE3 MET A 61 -29.167 -0.333 -2.924 1.00 0.00 H new ATOM 959 N THR A 62 -24.946 4.351 -4.755 1.00 0.00 N ATOM 960 CA THR A 62 -24.039 5.045 -3.861 1.00 0.00 C ATOM 961 C THR A 62 -24.264 4.670 -2.401 1.00 0.00 C ATOM 962 O THR A 62 -23.498 5.074 -1.524 1.00 0.00 O ATOM 963 CB THR A 62 -24.179 6.559 -4.048 1.00 0.00 C ATOM 964 OG1 THR A 62 -25.369 6.838 -4.802 1.00 0.00 O ATOM 965 CG2 THR A 62 -22.973 7.118 -4.779 1.00 0.00 C ATOM 0 H THR A 62 -25.682 4.943 -5.141 1.00 0.00 H new ATOM 0 HA THR A 62 -23.026 4.736 -4.118 1.00 0.00 H new ATOM 0 HB THR A 62 -24.243 7.031 -3.067 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.461 7.806 -4.921 1.00 0.00 H new ATOM 0 HG21 THR A 62 -23.090 8.195 -4.903 1.00 0.00 H new ATOM 0 HG22 THR A 62 -22.071 6.915 -4.202 1.00 0.00 H new ATOM 0 HG23 THR A 62 -22.891 6.647 -5.758 1.00 0.00 H new ATOM 973 N GLU A 63 -25.314 3.901 -2.144 1.00 0.00 N ATOM 974 CA GLU A 63 -25.567 3.382 -0.807 1.00 0.00 C ATOM 975 C GLU A 63 -24.383 2.542 -0.336 1.00 0.00 C ATOM 976 O GLU A 63 -23.962 2.631 0.819 1.00 0.00 O ATOM 977 CB GLU A 63 -26.840 2.535 -0.788 1.00 0.00 C ATOM 978 CG GLU A 63 -27.226 2.054 0.602 1.00 0.00 C ATOM 979 CD GLU A 63 -28.436 1.146 0.593 1.00 0.00 C ATOM 980 OE1 GLU A 63 -29.545 1.634 0.295 1.00 0.00 O ATOM 981 OE2 GLU A 63 -28.285 -0.056 0.890 1.00 0.00 O ATOM 0 H GLU A 63 -26.003 3.623 -2.843 1.00 0.00 H new ATOM 0 HA GLU A 63 -25.699 4.228 -0.132 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -27.662 3.118 -1.203 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -26.702 1.671 -1.438 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -26.383 1.524 1.045 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -27.429 2.917 1.237 1.00 0.00 H new ATOM 988 N TYR A 64 -23.828 1.751 -1.244 1.00 0.00 N ATOM 989 CA TYR A 64 -22.717 0.876 -0.908 1.00 0.00 C ATOM 990 C TYR A 64 -21.391 1.451 -1.378 1.00 0.00 C ATOM 991 O TYR A 64 -21.102 1.495 -2.576 1.00 0.00 O ATOM 992 CB TYR A 64 -22.913 -0.518 -1.509 1.00 0.00 C ATOM 993 CG TYR A 64 -23.911 -1.372 -0.769 1.00 0.00 C ATOM 994 CD1 TYR A 64 -23.551 -2.038 0.396 1.00 0.00 C ATOM 995 CD2 TYR A 64 -25.208 -1.522 -1.235 1.00 0.00 C ATOM 996 CE1 TYR A 64 -24.455 -2.830 1.072 1.00 0.00 C ATOM 997 CE2 TYR A 64 -26.118 -2.311 -0.564 1.00 0.00 C ATOM 998 CZ TYR A 64 -25.737 -2.963 0.587 1.00 0.00 C ATOM 999 OH TYR A 64 -26.639 -3.759 1.248 1.00 0.00 O ATOM 0 H TYR A 64 -24.129 1.698 -2.217 1.00 0.00 H new ATOM 0 HA TYR A 64 -22.694 0.795 0.179 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -23.237 -0.413 -2.544 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -21.952 -1.033 -1.526 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -22.546 -1.934 0.778 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -25.510 -1.013 -2.138 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -24.160 -3.342 1.976 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -27.125 -2.417 -0.940 1.00 0.00 H new ATOM 0 HH TYR A 64 -27.497 -3.743 0.775 1.00 0.00 H new ATOM 1009 N ARG A 65 -20.600 1.905 -0.418 1.00 0.00 N ATOM 1010 CA ARG A 65 -19.217 2.285 -0.655 1.00 0.00 C ATOM 1011 C ARG A 65 -18.441 2.119 0.645 1.00 0.00 C ATOM 1012 O ARG A 65 -18.865 2.607 1.696 1.00 0.00 O ATOM 1013 CB ARG A 65 -19.086 3.720 -1.211 1.00 0.00 C ATOM 1014 CG ARG A 65 -19.358 4.845 -0.219 1.00 0.00 C ATOM 1015 CD ARG A 65 -20.834 4.995 0.097 1.00 0.00 C ATOM 1016 NE ARG A 65 -21.074 6.078 1.053 1.00 0.00 N ATOM 1017 CZ ARG A 65 -22.240 6.298 1.657 1.00 0.00 C ATOM 1018 NH1 ARG A 65 -23.297 5.554 1.364 1.00 0.00 N ATOM 1019 NH2 ARG A 65 -22.350 7.279 2.543 1.00 0.00 N ATOM 0 H ARG A 65 -20.901 2.020 0.550 1.00 0.00 H new ATOM 0 HA ARG A 65 -18.800 1.632 -1.422 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -18.078 3.845 -1.606 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -19.773 3.828 -2.051 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -18.810 4.653 0.703 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -18.979 5.783 -0.625 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -21.385 5.192 -0.823 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -21.216 4.059 0.504 1.00 0.00 H new ATOM 0 HE ARG A 65 -20.298 6.704 1.270 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -23.220 4.808 0.673 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -24.188 5.727 1.830 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -21.542 7.863 2.760 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -23.242 7.449 3.007 1.00 0.00 H new ATOM 1033 N LYS A 66 -17.338 1.389 0.587 1.00 0.00 N ATOM 1034 CA LYS A 66 -16.585 1.060 1.790 1.00 0.00 C ATOM 1035 C LYS A 66 -15.093 1.288 1.571 1.00 0.00 C ATOM 1036 O LYS A 66 -14.552 0.953 0.516 1.00 0.00 O ATOM 1037 CB LYS A 66 -16.861 -0.399 2.184 1.00 0.00 C ATOM 1038 CG LYS A 66 -16.941 -0.646 3.688 1.00 0.00 C ATOM 1039 CD LYS A 66 -15.587 -0.521 4.365 1.00 0.00 C ATOM 1040 CE LYS A 66 -15.692 -0.710 5.869 1.00 0.00 C ATOM 1041 NZ LYS A 66 -16.494 0.362 6.513 1.00 0.00 N ATOM 0 H LYS A 66 -16.944 1.014 -0.276 1.00 0.00 H new ATOM 0 HA LYS A 66 -16.906 1.714 2.601 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.799 -0.714 1.727 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.076 -1.029 1.767 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.635 0.066 4.135 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -17.345 -1.642 3.870 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -14.903 -1.263 3.952 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -15.162 0.459 4.150 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -16.145 -1.678 6.081 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -14.692 -0.724 6.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -16.360 0.324 7.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -16.184 1.289 6.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.500 0.225 6.289 1.00 0.00 H new ATOM 1055 N ASN A 67 -14.448 1.885 2.565 1.00 0.00 N ATOM 1056 CA ASN A 67 -13.018 2.159 2.517 1.00 0.00 C ATOM 1057 C ASN A 67 -12.229 1.005 3.132 1.00 0.00 C ATOM 1058 O ASN A 67 -12.094 0.919 4.353 1.00 0.00 O ATOM 1059 CB ASN A 67 -12.691 3.442 3.294 1.00 0.00 C ATOM 1060 CG ASN A 67 -13.663 4.580 3.029 1.00 0.00 C ATOM 1061 OD1 ASN A 67 -14.666 4.731 3.729 1.00 0.00 O ATOM 1062 ND2 ASN A 67 -13.373 5.395 2.034 1.00 0.00 N ATOM 0 H ASN A 67 -14.901 2.192 3.426 1.00 0.00 H new ATOM 0 HA ASN A 67 -12.738 2.279 1.470 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.688 3.219 4.361 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.684 3.768 3.033 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.988 6.181 1.823 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -12.534 5.239 1.475 1.00 0.00 H new ATOM 1069 N VAL A 68 -11.738 0.107 2.296 1.00 0.00 N ATOM 1070 CA VAL A 68 -10.897 -0.987 2.768 1.00 0.00 C ATOM 1071 C VAL A 68 -9.493 -0.862 2.186 1.00 0.00 C ATOM 1072 O VAL A 68 -9.337 -0.603 1.001 1.00 0.00 O ATOM 1073 CB VAL A 68 -11.491 -2.371 2.413 1.00 0.00 C ATOM 1074 CG1 VAL A 68 -12.754 -2.635 3.216 1.00 0.00 C ATOM 1075 CG2 VAL A 68 -11.775 -2.480 0.920 1.00 0.00 C ATOM 0 H VAL A 68 -11.904 0.111 1.290 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.851 -0.915 3.855 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.752 -3.129 2.672 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -13.156 -3.613 2.951 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.519 -2.615 4.280 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -13.494 -1.866 2.993 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -12.192 -3.463 0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -12.489 -1.710 0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.848 -2.346 0.363 1.00 0.00 H new ATOM 1085 N GLY A 69 -8.472 -1.026 3.009 1.00 0.00 N ATOM 1086 CA GLY A 69 -7.116 -0.929 2.501 1.00 0.00 C ATOM 1087 C GLY A 69 -6.077 -0.962 3.597 1.00 0.00 C ATOM 1088 O GLY A 69 -6.410 -0.868 4.780 1.00 0.00 O ATOM 0 H GLY A 69 -8.551 -1.222 4.007 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.933 -1.750 1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.010 -0.004 1.934 1.00 0.00 H new ATOM 1092 N LEU A 70 -4.815 -1.092 3.193 1.00 0.00 N ATOM 1093 CA LEU A 70 -3.694 -1.166 4.130 1.00 0.00 C ATOM 1094 C LEU A 70 -2.481 -0.438 3.557 1.00 0.00 C ATOM 1095 O LEU A 70 -2.063 0.598 4.069 1.00 0.00 O ATOM 1096 CB LEU A 70 -3.332 -2.626 4.423 1.00 0.00 C ATOM 1097 CG LEU A 70 -4.400 -3.434 5.166 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -4.022 -4.903 5.210 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -4.589 -2.900 6.577 1.00 0.00 C ATOM 0 H LEU A 70 -4.541 -1.149 2.212 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.993 -0.686 5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.116 -3.125 3.478 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.414 -2.644 5.010 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.341 -3.332 4.626 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.793 -5.461 5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.932 -5.286 4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.069 -5.018 5.726 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.352 -3.487 7.089 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.648 -2.973 7.123 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.903 -1.857 6.532 1.00 0.00 H new ATOM 1111 N ARG A 71 -1.922 -0.990 2.485 1.00 0.00 N ATOM 1112 CA ARG A 71 -0.813 -0.355 1.780 1.00 0.00 C ATOM 1113 C ARG A 71 -1.370 0.653 0.787 1.00 0.00 C ATOM 1114 O ARG A 71 -0.744 1.660 0.462 1.00 0.00 O ATOM 1115 CB ARG A 71 0.035 -1.408 1.055 1.00 0.00 C ATOM 1116 CG ARG A 71 1.179 -0.827 0.238 1.00 0.00 C ATOM 1117 CD ARG A 71 2.180 -0.097 1.117 1.00 0.00 C ATOM 1118 NE ARG A 71 3.220 0.567 0.331 1.00 0.00 N ATOM 1119 CZ ARG A 71 4.288 1.164 0.865 1.00 0.00 C ATOM 1120 NH1 ARG A 71 4.493 1.106 2.177 1.00 0.00 N ATOM 1121 NH2 ARG A 71 5.169 1.780 0.085 1.00 0.00 N ATOM 0 H ARG A 71 -2.220 -1.879 2.084 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.172 0.157 2.498 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.443 -2.100 1.791 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.611 -1.988 0.396 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.684 -1.628 -0.302 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.781 -0.140 -0.509 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.657 0.642 1.724 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.642 -0.805 1.805 1.00 0.00 H new ATOM 0 HE ARG A 71 3.123 0.574 -0.684 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.835 0.606 2.774 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.309 1.562 2.586 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.031 1.798 -0.925 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.984 2.235 0.496 1.00 0.00 H new ATOM 1135 N ASN A 72 -2.559 0.352 0.309 1.00 0.00 N ATOM 1136 CA ASN A 72 -3.298 1.248 -0.559 1.00 0.00 C ATOM 1137 C ASN A 72 -4.763 1.201 -0.169 1.00 0.00 C ATOM 1138 O ASN A 72 -5.236 0.175 0.327 1.00 0.00 O ATOM 1139 CB ASN A 72 -3.103 0.879 -2.038 1.00 0.00 C ATOM 1140 CG ASN A 72 -3.201 -0.613 -2.309 1.00 0.00 C ATOM 1141 OD1 ASN A 72 -4.278 -1.148 -2.558 1.00 0.00 O ATOM 1142 ND2 ASN A 72 -2.063 -1.294 -2.277 1.00 0.00 N ATOM 0 H ASN A 72 -3.043 -0.523 0.511 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.922 2.264 -0.437 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -3.852 1.399 -2.636 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.128 1.237 -2.368 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.063 -2.297 -2.463 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.188 -0.815 -2.066 1.00 0.00 H new ATOM 1149 N ILE A 73 -5.468 2.309 -0.352 1.00 0.00 N ATOM 1150 CA ILE A 73 -6.857 2.392 0.074 1.00 0.00 C ATOM 1151 C ILE A 73 -7.792 2.106 -1.093 1.00 0.00 C ATOM 1152 O ILE A 73 -7.684 2.719 -2.156 1.00 0.00 O ATOM 1153 CB ILE A 73 -7.191 3.775 0.682 1.00 0.00 C ATOM 1154 CG1 ILE A 73 -6.263 4.080 1.865 1.00 0.00 C ATOM 1155 CG2 ILE A 73 -8.652 3.833 1.118 1.00 0.00 C ATOM 1156 CD1 ILE A 73 -6.352 3.072 2.992 1.00 0.00 C ATOM 0 H ILE A 73 -5.104 3.156 -0.789 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.002 1.638 0.848 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.033 4.534 -0.085 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.234 4.119 1.506 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.502 5.069 2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.866 4.814 1.543 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.296 3.663 0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.839 3.064 1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.666 3.357 3.790 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.370 3.049 3.380 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.083 2.084 2.618 1.00 0.00 H new ATOM 1168 N ILE A 74 -8.694 1.165 -0.889 1.00 0.00 N ATOM 1169 CA ILE A 74 -9.616 0.746 -1.926 1.00 0.00 C ATOM 1170 C ILE A 74 -11.030 1.190 -1.588 1.00 0.00 C ATOM 1171 O ILE A 74 -11.578 0.826 -0.546 1.00 0.00 O ATOM 1172 CB ILE A 74 -9.609 -0.791 -2.094 1.00 0.00 C ATOM 1173 CG1 ILE A 74 -8.175 -1.324 -2.142 1.00 0.00 C ATOM 1174 CG2 ILE A 74 -10.372 -1.197 -3.349 1.00 0.00 C ATOM 1175 CD1 ILE A 74 -7.329 -0.699 -3.226 1.00 0.00 C ATOM 0 H ILE A 74 -8.808 0.672 -0.004 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.291 1.210 -2.857 1.00 0.00 H new ATOM 0 HB ILE A 74 -10.109 -1.230 -1.230 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.700 -1.149 -1.177 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.203 -2.403 -2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -10.356 -2.282 -3.450 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -11.404 -0.855 -3.274 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.903 -0.745 -4.223 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.327 -1.127 -3.197 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.780 -0.896 -4.199 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.269 0.377 -3.065 1.00 0.00 H new ATOM 1187 N PHE A 75 -11.611 1.989 -2.460 1.00 0.00 N ATOM 1188 CA PHE A 75 -12.999 2.381 -2.319 1.00 0.00 C ATOM 1189 C PHE A 75 -13.862 1.446 -3.156 1.00 0.00 C ATOM 1190 O PHE A 75 -13.763 1.440 -4.382 1.00 0.00 O ATOM 1191 CB PHE A 75 -13.206 3.825 -2.783 1.00 0.00 C ATOM 1192 CG PHE A 75 -12.244 4.810 -2.182 1.00 0.00 C ATOM 1193 CD1 PHE A 75 -12.162 4.979 -0.811 1.00 0.00 C ATOM 1194 CD2 PHE A 75 -11.431 5.578 -2.998 1.00 0.00 C ATOM 1195 CE1 PHE A 75 -11.283 5.898 -0.265 1.00 0.00 C ATOM 1196 CE2 PHE A 75 -10.550 6.495 -2.460 1.00 0.00 C ATOM 1197 CZ PHE A 75 -10.477 6.656 -1.091 1.00 0.00 C ATOM 0 H PHE A 75 -11.142 2.381 -3.277 1.00 0.00 H new ATOM 0 HA PHE A 75 -13.282 2.316 -1.268 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -13.115 3.862 -3.869 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -14.223 4.131 -2.537 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -12.790 4.388 -0.161 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -11.487 5.458 -4.070 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.228 6.022 0.806 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -9.920 7.085 -3.109 1.00 0.00 H new ATOM 0 HZ PHE A 75 -9.791 7.374 -0.667 1.00 0.00 H new ATOM 1207 N SER A 76 -14.673 0.635 -2.502 1.00 0.00 N ATOM 1208 CA SER A 76 -15.542 -0.290 -3.208 1.00 0.00 C ATOM 1209 C SER A 76 -16.941 0.300 -3.360 1.00 0.00 C ATOM 1210 O SER A 76 -17.692 0.393 -2.388 1.00 0.00 O ATOM 1211 CB SER A 76 -15.602 -1.619 -2.463 1.00 0.00 C ATOM 1212 OG SER A 76 -14.304 -2.157 -2.284 1.00 0.00 O ATOM 0 H SER A 76 -14.749 0.597 -1.485 1.00 0.00 H new ATOM 0 HA SER A 76 -15.135 -0.463 -4.204 1.00 0.00 H new ATOM 0 HB2 SER A 76 -16.078 -1.475 -1.493 1.00 0.00 H new ATOM 0 HB3 SER A 76 -16.219 -2.325 -3.019 1.00 0.00 H new ATOM 0 HG SER A 76 -14.366 -3.008 -1.803 1.00 0.00 H new ATOM 1218 N ILE A 77 -17.269 0.719 -4.575 1.00 0.00 N ATOM 1219 CA ILE A 77 -18.582 1.291 -4.866 1.00 0.00 C ATOM 1220 C ILE A 77 -19.405 0.307 -5.690 1.00 0.00 C ATOM 1221 O ILE A 77 -18.899 -0.295 -6.638 1.00 0.00 O ATOM 1222 CB ILE A 77 -18.483 2.640 -5.633 1.00 0.00 C ATOM 1223 CG1 ILE A 77 -17.716 3.697 -4.826 1.00 0.00 C ATOM 1224 CG2 ILE A 77 -19.870 3.166 -5.986 1.00 0.00 C ATOM 1225 CD1 ILE A 77 -16.211 3.599 -4.951 1.00 0.00 C ATOM 0 H ILE A 77 -16.643 0.674 -5.379 1.00 0.00 H new ATOM 0 HA ILE A 77 -19.066 1.485 -3.909 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.930 2.446 -6.552 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -18.033 4.688 -5.152 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -17.989 3.605 -3.775 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -19.775 4.110 -6.522 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -20.385 2.441 -6.617 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -20.443 3.323 -5.072 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -15.744 4.380 -4.351 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -15.879 2.623 -4.597 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -15.924 3.723 -5.995 1.00 0.00 H new ATOM 1237 N GLN A 78 -20.667 0.136 -5.326 1.00 0.00 N ATOM 1238 CA GLN A 78 -21.540 -0.794 -6.028 1.00 0.00 C ATOM 1239 C GLN A 78 -22.278 -0.087 -7.169 1.00 0.00 C ATOM 1240 O GLN A 78 -22.842 0.992 -6.985 1.00 0.00 O ATOM 1241 CB GLN A 78 -22.534 -1.428 -5.047 1.00 0.00 C ATOM 1242 CG GLN A 78 -23.474 -2.445 -5.673 1.00 0.00 C ATOM 1243 CD GLN A 78 -24.231 -3.249 -4.634 1.00 0.00 C ATOM 1244 OE1 GLN A 78 -23.727 -3.503 -3.539 1.00 0.00 O ATOM 1245 NE2 GLN A 78 -25.447 -3.652 -4.966 1.00 0.00 N ATOM 0 H GLN A 78 -21.109 0.628 -4.550 1.00 0.00 H new ATOM 0 HA GLN A 78 -20.929 -1.585 -6.462 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -21.976 -1.913 -4.246 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -23.128 -0.637 -4.589 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -24.185 -1.929 -6.318 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -22.902 -3.123 -6.307 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -25.828 -3.421 -5.883 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -26.003 -4.194 -4.305 1.00 0.00 H new ATOM 1254 N LYS A 79 -22.266 -0.697 -8.345 1.00 0.00 N ATOM 1255 CA LYS A 79 -22.932 -0.125 -9.510 1.00 0.00 C ATOM 1256 C LYS A 79 -24.373 -0.610 -9.580 1.00 0.00 C ATOM 1257 O LYS A 79 -24.667 -1.750 -9.230 1.00 0.00 O ATOM 1258 CB LYS A 79 -22.181 -0.495 -10.795 1.00 0.00 C ATOM 1259 CG LYS A 79 -21.844 -1.974 -10.887 1.00 0.00 C ATOM 1260 CD LYS A 79 -21.151 -2.334 -12.192 1.00 0.00 C ATOM 1261 CE LYS A 79 -22.095 -2.229 -13.377 1.00 0.00 C ATOM 1262 NZ LYS A 79 -21.622 -3.027 -14.540 1.00 0.00 N ATOM 0 H LYS A 79 -21.803 -1.589 -8.520 1.00 0.00 H new ATOM 0 HA LYS A 79 -22.931 0.961 -9.413 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -22.787 -0.213 -11.656 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -21.260 0.085 -10.849 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -21.202 -2.250 -10.050 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -22.759 -2.558 -10.792 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -20.299 -1.672 -12.346 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -20.759 -3.349 -12.128 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -23.087 -2.572 -13.082 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -22.193 -1.184 -13.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -22.357 -3.038 -15.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -20.755 -2.601 -14.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -21.423 -4.001 -14.235 1.00 0.00 H new ATOM 1276 N GLU A 80 -25.272 0.250 -10.037 1.00 0.00 N ATOM 1277 CA GLU A 80 -26.676 -0.109 -10.090 1.00 0.00 C ATOM 1278 C GLU A 80 -27.118 -0.201 -11.543 1.00 0.00 C ATOM 1279 O GLU A 80 -27.935 0.591 -12.013 1.00 0.00 O ATOM 1280 CB GLU A 80 -27.522 0.909 -9.317 1.00 0.00 C ATOM 1281 CG GLU A 80 -28.754 0.311 -8.646 1.00 0.00 C ATOM 1282 CD GLU A 80 -29.780 -0.204 -9.634 1.00 0.00 C ATOM 1283 OE1 GLU A 80 -30.612 0.604 -10.100 1.00 0.00 O ATOM 1284 OE2 GLU A 80 -29.758 -1.413 -9.953 1.00 0.00 O ATOM 0 H GLU A 80 -25.055 1.189 -10.372 1.00 0.00 H new ATOM 0 HA GLU A 80 -26.820 -1.081 -9.617 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -26.899 1.380 -8.556 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -27.840 1.696 -10.001 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -28.444 -0.506 -7.994 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -29.217 1.067 -8.012 1.00 0.00 H new ATOM 1427 N LEU A 88 -15.842 5.488 -17.689 1.00 0.00 N ATOM 1428 CA LEU A 88 -16.282 5.659 -16.304 1.00 0.00 C ATOM 1429 C LEU A 88 -16.560 7.127 -15.976 1.00 0.00 C ATOM 1430 O LEU A 88 -17.513 7.443 -15.262 1.00 0.00 O ATOM 1431 CB LEU A 88 -15.226 5.109 -15.343 1.00 0.00 C ATOM 1432 CG LEU A 88 -15.615 5.144 -13.862 1.00 0.00 C ATOM 1433 CD1 LEU A 88 -16.793 4.220 -13.592 1.00 0.00 C ATOM 1434 CD2 LEU A 88 -14.428 4.771 -12.988 1.00 0.00 C ATOM 0 HA LEU A 88 -17.212 5.103 -16.184 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -15.006 4.078 -15.621 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -14.306 5.678 -15.475 1.00 0.00 H new ATOM 0 HG LEU A 88 -15.917 6.161 -13.613 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -17.052 4.261 -12.534 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -17.649 4.538 -14.188 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -16.523 3.199 -13.860 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.724 4.802 -11.939 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.092 3.765 -13.241 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -13.616 5.478 -13.156 1.00 0.00 H new ATOM 1446 N LEU A 89 -15.732 8.014 -16.510 1.00 0.00 N ATOM 1447 CA LEU A 89 -15.818 9.434 -16.192 1.00 0.00 C ATOM 1448 C LEU A 89 -16.943 10.103 -16.973 1.00 0.00 C ATOM 1449 O LEU A 89 -16.917 10.151 -18.205 1.00 0.00 O ATOM 1450 CB LEU A 89 -14.486 10.129 -16.472 1.00 0.00 C ATOM 1451 CG LEU A 89 -14.047 11.149 -15.411 1.00 0.00 C ATOM 1452 CD1 LEU A 89 -15.035 12.299 -15.311 1.00 0.00 C ATOM 1453 CD2 LEU A 89 -13.885 10.472 -14.055 1.00 0.00 C ATOM 0 H LEU A 89 -14.990 7.775 -17.168 1.00 0.00 H new ATOM 0 HA LEU A 89 -16.042 9.528 -15.129 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.710 9.369 -16.566 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -14.554 10.636 -17.435 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.084 11.557 -15.718 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.697 13.004 -14.552 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -15.102 12.806 -16.273 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -16.016 11.913 -15.036 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.574 11.209 -13.315 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -14.835 10.033 -13.752 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.130 9.689 -14.127 1.00 0.00 H new ATOM 1465 N LYS A 90 -17.928 10.601 -16.232 1.00 0.00 N ATOM 1466 CA LYS A 90 -19.115 11.255 -16.788 1.00 0.00 C ATOM 1467 C LYS A 90 -18.762 12.355 -17.793 1.00 0.00 C ATOM 1468 O LYS A 90 -19.539 12.634 -18.703 1.00 0.00 O ATOM 1469 CB LYS A 90 -19.942 11.857 -15.646 1.00 0.00 C ATOM 1470 CG LYS A 90 -21.314 12.360 -16.063 1.00 0.00 C ATOM 1471 CD LYS A 90 -22.139 11.251 -16.683 1.00 0.00 C ATOM 1472 CE LYS A 90 -23.585 11.662 -16.874 1.00 0.00 C ATOM 1473 NZ LYS A 90 -24.366 10.597 -17.552 1.00 0.00 N ATOM 0 H LYS A 90 -17.927 10.563 -15.213 1.00 0.00 H new ATOM 0 HA LYS A 90 -19.687 10.497 -17.322 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -20.065 11.105 -14.867 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -19.384 12.683 -15.206 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -21.836 12.763 -15.195 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -21.203 13.177 -16.776 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -21.710 10.974 -17.646 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -22.094 10.366 -16.048 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -24.033 11.883 -15.905 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -23.630 12.579 -17.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -25.381 10.752 -17.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -24.174 10.623 -18.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -24.091 9.669 -17.171 1.00 0.00 H new ATOM 1487 N SER A 91 -17.596 12.980 -17.623 1.00 0.00 N ATOM 1488 CA SER A 91 -17.162 14.054 -18.521 1.00 0.00 C ATOM 1489 C SER A 91 -16.941 13.565 -19.954 1.00 0.00 C ATOM 1490 O SER A 91 -16.704 14.366 -20.861 1.00 0.00 O ATOM 1491 CB SER A 91 -15.892 14.716 -17.983 1.00 0.00 C ATOM 1492 OG SER A 91 -16.067 15.126 -16.639 1.00 0.00 O ATOM 0 H SER A 91 -16.937 12.763 -16.875 1.00 0.00 H new ATOM 0 HA SER A 91 -17.966 14.789 -18.554 1.00 0.00 H new ATOM 0 HB2 SER A 91 -15.057 14.018 -18.049 1.00 0.00 H new ATOM 0 HB3 SER A 91 -15.637 15.577 -18.600 1.00 0.00 H new ATOM 0 HG SER A 91 -15.243 15.545 -16.315 1.00 0.00 H new ATOM 1498 N GLU A 92 -16.983 12.248 -20.121 1.00 0.00 N ATOM 1499 CA GLU A 92 -16.956 11.579 -21.429 1.00 0.00 C ATOM 1500 C GLU A 92 -15.555 11.552 -22.031 1.00 0.00 C ATOM 1501 O GLU A 92 -15.164 10.580 -22.679 1.00 0.00 O ATOM 1502 CB GLU A 92 -17.945 12.245 -22.397 1.00 0.00 C ATOM 1503 CG GLU A 92 -17.799 11.787 -23.838 1.00 0.00 C ATOM 1504 CD GLU A 92 -18.805 12.438 -24.761 1.00 0.00 C ATOM 1505 OE1 GLU A 92 -18.742 13.671 -24.939 1.00 0.00 O ATOM 1506 OE2 GLU A 92 -19.665 11.718 -25.310 1.00 0.00 O ATOM 0 H GLU A 92 -17.038 11.596 -19.338 1.00 0.00 H new ATOM 0 HA GLU A 92 -17.260 10.545 -21.269 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -18.961 12.038 -22.062 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -17.809 13.326 -22.354 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -16.792 12.014 -24.187 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -17.916 10.704 -23.885 1.00 0.00 H new ATOM 1513 N GLU A 93 -14.802 12.601 -21.786 1.00 0.00 N ATOM 1514 CA GLU A 93 -13.516 12.792 -22.442 1.00 0.00 C ATOM 1515 C GLU A 93 -12.387 12.090 -21.699 1.00 0.00 C ATOM 1516 O GLU A 93 -11.999 10.976 -22.045 1.00 0.00 O ATOM 1517 CB GLU A 93 -13.213 14.285 -22.574 1.00 0.00 C ATOM 1518 CG GLU A 93 -14.187 15.024 -23.478 1.00 0.00 C ATOM 1519 CD GLU A 93 -13.979 16.521 -23.456 1.00 0.00 C ATOM 1520 OE1 GLU A 93 -12.826 16.967 -23.623 1.00 0.00 O ATOM 1521 OE2 GLU A 93 -14.975 17.260 -23.284 1.00 0.00 O ATOM 0 H GLU A 93 -15.055 13.343 -21.133 1.00 0.00 H new ATOM 0 HA GLU A 93 -13.582 12.345 -23.434 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -13.232 14.740 -21.584 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.202 14.410 -22.963 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.076 14.660 -24.500 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -15.207 14.798 -23.168 1.00 0.00 H new ATOM 1528 N LYS A 94 -11.866 12.742 -20.673 1.00 0.00 N ATOM 1529 CA LYS A 94 -10.730 12.216 -19.939 1.00 0.00 C ATOM 1530 C LYS A 94 -10.905 12.503 -18.455 1.00 0.00 C ATOM 1531 O LYS A 94 -11.246 13.624 -18.077 1.00 0.00 O ATOM 1532 CB LYS A 94 -9.437 12.865 -20.444 1.00 0.00 C ATOM 1533 CG LYS A 94 -8.167 12.146 -20.010 1.00 0.00 C ATOM 1534 CD LYS A 94 -6.943 13.007 -20.253 1.00 0.00 C ATOM 1535 CE LYS A 94 -5.653 12.225 -20.072 1.00 0.00 C ATOM 1536 NZ LYS A 94 -5.415 11.270 -21.190 1.00 0.00 N ATOM 0 H LYS A 94 -12.213 13.638 -20.330 1.00 0.00 H new ATOM 0 HA LYS A 94 -10.670 11.139 -20.094 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.465 12.904 -21.533 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.398 13.895 -20.089 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.233 11.892 -18.952 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.071 11.209 -20.558 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.981 13.415 -21.263 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.953 13.854 -19.567 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.815 12.919 -20.004 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.690 11.678 -19.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.452 10.883 -21.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.105 10.494 -21.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.521 11.765 -22.098 1.00 0.00 H new ATOM 1550 N PRO A 95 -10.693 11.493 -17.595 1.00 0.00 N ATOM 1551 CA PRO A 95 -10.774 11.664 -16.143 1.00 0.00 C ATOM 1552 C PRO A 95 -9.685 12.600 -15.629 1.00 0.00 C ATOM 1553 O PRO A 95 -9.964 13.725 -15.216 1.00 0.00 O ATOM 1554 CB PRO A 95 -10.564 10.245 -15.592 1.00 0.00 C ATOM 1555 CG PRO A 95 -10.779 9.333 -16.749 1.00 0.00 C ATOM 1556 CD PRO A 95 -10.370 10.109 -17.967 1.00 0.00 C ATOM 0 HA PRO A 95 -11.720 12.109 -15.834 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -9.561 10.128 -15.181 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -11.266 10.029 -14.786 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.184 8.425 -16.646 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -11.822 9.025 -16.815 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -9.310 9.986 -18.187 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.919 9.790 -18.853 1.00 0.00 H new ATOM 1564 N ALA A 96 -8.446 12.124 -15.680 1.00 0.00 N ATOM 1565 CA ALA A 96 -7.282 12.898 -15.269 1.00 0.00 C ATOM 1566 C ALA A 96 -6.017 12.105 -15.569 1.00 0.00 C ATOM 1567 O ALA A 96 -6.071 10.878 -15.664 1.00 0.00 O ATOM 1568 CB ALA A 96 -7.350 13.253 -13.787 1.00 0.00 C ATOM 0 H ALA A 96 -8.220 11.185 -16.009 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.267 13.832 -15.831 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.468 13.830 -13.510 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.245 13.844 -13.595 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.385 12.338 -13.195 1.00 0.00 H new ATOM 1574 N PRO A 97 -4.872 12.783 -15.728 1.00 0.00 N ATOM 1575 CA PRO A 97 -3.593 12.126 -16.036 1.00 0.00 C ATOM 1576 C PRO A 97 -3.178 11.090 -14.986 1.00 0.00 C ATOM 1577 O PRO A 97 -2.438 10.151 -15.290 1.00 0.00 O ATOM 1578 CB PRO A 97 -2.587 13.286 -16.075 1.00 0.00 C ATOM 1579 CG PRO A 97 -3.265 14.425 -15.391 1.00 0.00 C ATOM 1580 CD PRO A 97 -4.730 14.246 -15.652 1.00 0.00 C ATOM 0 HA PRO A 97 -3.653 11.563 -16.967 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -1.660 13.019 -15.567 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -2.325 13.544 -17.101 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -3.055 14.419 -14.321 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -2.913 15.380 -15.780 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -5.338 14.670 -14.853 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -5.038 14.731 -16.578 1.00 0.00 H new ATOM 1588 N TYR A 98 -3.665 11.248 -13.759 1.00 0.00 N ATOM 1589 CA TYR A 98 -3.290 10.341 -12.677 1.00 0.00 C ATOM 1590 C TYR A 98 -4.281 9.190 -12.533 1.00 0.00 C ATOM 1591 O TYR A 98 -4.129 8.347 -11.647 1.00 0.00 O ATOM 1592 CB TYR A 98 -3.138 11.087 -11.345 1.00 0.00 C ATOM 1593 CG TYR A 98 -4.287 12.000 -10.988 1.00 0.00 C ATOM 1594 CD1 TYR A 98 -5.381 11.527 -10.277 1.00 0.00 C ATOM 1595 CD2 TYR A 98 -4.265 13.340 -11.347 1.00 0.00 C ATOM 1596 CE1 TYR A 98 -6.423 12.367 -9.936 1.00 0.00 C ATOM 1597 CE2 TYR A 98 -5.305 14.184 -11.014 1.00 0.00 C ATOM 1598 CZ TYR A 98 -6.381 13.694 -10.308 1.00 0.00 C ATOM 1599 OH TYR A 98 -7.415 14.532 -9.971 1.00 0.00 O ATOM 0 H TYR A 98 -4.314 11.988 -13.490 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.321 9.918 -12.943 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.015 10.354 -10.548 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.222 11.677 -11.379 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -5.418 10.488 -9.986 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -3.420 13.729 -11.896 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -7.267 11.986 -9.380 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -5.275 15.223 -11.306 1.00 0.00 H new ATOM 0 HH TYR A 98 -7.229 15.433 -10.307 1.00 0.00 H new ATOM 1609 N ILE A 99 -5.291 9.155 -13.396 1.00 0.00 N ATOM 1610 CA ILE A 99 -6.211 8.032 -13.429 1.00 0.00 C ATOM 1611 C ILE A 99 -5.656 6.948 -14.344 1.00 0.00 C ATOM 1612 O ILE A 99 -5.476 7.154 -15.545 1.00 0.00 O ATOM 1613 CB ILE A 99 -7.650 8.437 -13.870 1.00 0.00 C ATOM 1614 CG1 ILE A 99 -8.482 8.869 -12.661 1.00 0.00 C ATOM 1615 CG2 ILE A 99 -8.357 7.301 -14.602 1.00 0.00 C ATOM 1616 CD1 ILE A 99 -8.082 10.198 -12.070 1.00 0.00 C ATOM 0 H ILE A 99 -5.490 9.888 -14.077 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.299 7.652 -12.411 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.552 9.276 -14.559 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.530 8.917 -12.956 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.403 8.104 -11.889 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.357 7.622 -14.893 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.789 7.033 -15.492 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -8.431 6.435 -13.944 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -8.723 10.425 -11.219 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.044 10.152 -11.740 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -8.189 10.978 -12.824 1.00 0.00 H new ATOM 1628 N LYS A 100 -5.354 5.813 -13.750 1.00 0.00 N ATOM 1629 CA LYS A 100 -4.808 4.680 -14.471 1.00 0.00 C ATOM 1630 C LYS A 100 -5.588 3.425 -14.100 1.00 0.00 C ATOM 1631 O LYS A 100 -6.359 3.433 -13.145 1.00 0.00 O ATOM 1632 CB LYS A 100 -3.325 4.512 -14.124 1.00 0.00 C ATOM 1633 CG LYS A 100 -2.475 5.721 -14.496 1.00 0.00 C ATOM 1634 CD LYS A 100 -1.108 5.684 -13.830 1.00 0.00 C ATOM 1635 CE LYS A 100 -0.294 4.479 -14.263 1.00 0.00 C ATOM 1636 NZ LYS A 100 1.051 4.467 -13.631 1.00 0.00 N ATOM 0 H LYS A 100 -5.480 5.648 -12.751 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.896 4.848 -15.544 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.229 4.325 -13.054 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.937 3.632 -14.638 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.350 5.757 -15.578 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.995 6.633 -14.205 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.562 6.596 -14.073 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.233 5.666 -12.747 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.828 3.566 -14.000 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.186 4.484 -15.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.512 3.553 -13.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.630 5.232 -14.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.954 4.608 -12.605 1.00 0.00 H new ATOM 1650 N VAL A 101 -5.397 2.356 -14.852 1.00 0.00 N ATOM 1651 CA VAL A 101 -6.113 1.118 -14.590 1.00 0.00 C ATOM 1652 C VAL A 101 -5.365 0.272 -13.568 1.00 0.00 C ATOM 1653 O VAL A 101 -4.165 0.032 -13.711 1.00 0.00 O ATOM 1654 CB VAL A 101 -6.325 0.300 -15.879 1.00 0.00 C ATOM 1655 CG1 VAL A 101 -7.131 -0.958 -15.596 1.00 0.00 C ATOM 1656 CG2 VAL A 101 -7.016 1.145 -16.939 1.00 0.00 C ATOM 0 H VAL A 101 -4.756 2.318 -15.645 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.090 1.389 -14.191 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.347 0.001 -16.255 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -7.267 -1.518 -16.521 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -6.599 -1.576 -14.872 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.105 -0.683 -15.192 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -7.158 0.551 -17.842 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.986 1.475 -16.566 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -6.401 2.015 -17.169 1.00 0.00 H new ATOM 1666 N ASP A 102 -6.071 -0.140 -12.521 1.00 0.00 N ATOM 1667 CA ASP A 102 -5.513 -1.037 -11.514 1.00 0.00 C ATOM 1668 C ASP A 102 -5.141 -2.379 -12.143 1.00 0.00 C ATOM 1669 O ASP A 102 -6.004 -3.210 -12.430 1.00 0.00 O ATOM 1670 CB ASP A 102 -6.514 -1.250 -10.376 1.00 0.00 C ATOM 1671 CG ASP A 102 -5.924 -2.043 -9.230 1.00 0.00 C ATOM 1672 OD1 ASP A 102 -5.605 -3.228 -9.427 1.00 0.00 O ATOM 1673 OD2 ASP A 102 -5.771 -1.480 -8.123 1.00 0.00 O ATOM 0 H ASP A 102 -7.038 0.135 -12.346 1.00 0.00 H new ATOM 0 HA ASP A 102 -4.612 -0.579 -11.107 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.853 -0.282 -10.008 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.392 -1.770 -10.760 1.00 0.00 H new ATOM 1678 N TRP A 103 -3.852 -2.566 -12.374 1.00 0.00 N ATOM 1679 CA TRP A 103 -3.350 -3.757 -13.045 1.00 0.00 C ATOM 1680 C TRP A 103 -3.264 -4.976 -12.119 1.00 0.00 C ATOM 1681 O TRP A 103 -2.944 -6.076 -12.576 1.00 0.00 O ATOM 1682 CB TRP A 103 -1.973 -3.464 -13.652 1.00 0.00 C ATOM 1683 CG TRP A 103 -0.954 -3.005 -12.652 1.00 0.00 C ATOM 1684 CD1 TRP A 103 -0.164 -3.795 -11.866 1.00 0.00 C ATOM 1685 CD2 TRP A 103 -0.605 -1.650 -12.335 1.00 0.00 C ATOM 1686 NE1 TRP A 103 0.645 -3.018 -11.074 1.00 0.00 N ATOM 1687 CE2 TRP A 103 0.400 -1.697 -11.350 1.00 0.00 C ATOM 1688 CE3 TRP A 103 -1.038 -0.400 -12.794 1.00 0.00 C ATOM 1689 CZ2 TRP A 103 0.969 -0.548 -10.808 1.00 0.00 C ATOM 1690 CZ3 TRP A 103 -0.468 0.740 -12.257 1.00 0.00 C ATOM 1691 CH2 TRP A 103 0.527 0.658 -11.277 1.00 0.00 C ATOM 0 H TRP A 103 -3.127 -1.902 -12.104 1.00 0.00 H new ATOM 0 HA TRP A 103 -4.065 -4.008 -13.829 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -1.605 -4.364 -14.144 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -2.081 -2.701 -14.422 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -0.174 -4.875 -11.867 1.00 0.00 H new ATOM 0 HE1 TRP A 103 1.318 -3.366 -10.392 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -1.803 -0.327 -13.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 1.731 -0.607 -10.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -0.797 1.710 -12.600 1.00 0.00 H new ATOM 0 HH2 TRP A 103 0.956 1.567 -10.882 1.00 0.00 H new ATOM 1702 N ASN A 104 -3.545 -4.799 -10.833 1.00 0.00 N ATOM 1703 CA ASN A 104 -3.317 -5.876 -9.871 1.00 0.00 C ATOM 1704 C ASN A 104 -4.615 -6.562 -9.466 1.00 0.00 C ATOM 1705 O ASN A 104 -4.601 -7.709 -9.020 1.00 0.00 O ATOM 1706 CB ASN A 104 -2.555 -5.372 -8.635 1.00 0.00 C ATOM 1707 CG ASN A 104 -3.236 -4.225 -7.908 1.00 0.00 C ATOM 1708 OD1 ASN A 104 -4.045 -4.432 -7.002 1.00 0.00 O ATOM 1709 ND2 ASN A 104 -2.892 -3.001 -8.287 1.00 0.00 N ATOM 0 H ASN A 104 -3.924 -3.939 -10.436 1.00 0.00 H new ATOM 0 HA ASN A 104 -2.696 -6.620 -10.370 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -2.424 -6.201 -7.940 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -1.559 -5.053 -8.941 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -3.301 -2.190 -7.824 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -2.218 -2.871 -9.042 1.00 0.00 H new ATOM 1716 N LYS A 105 -5.729 -5.871 -9.626 1.00 0.00 N ATOM 1717 CA LYS A 105 -7.036 -6.442 -9.311 1.00 0.00 C ATOM 1718 C LYS A 105 -7.771 -6.871 -10.572 1.00 0.00 C ATOM 1719 O LYS A 105 -8.968 -7.165 -10.540 1.00 0.00 O ATOM 1720 CB LYS A 105 -7.881 -5.439 -8.535 1.00 0.00 C ATOM 1721 CG LYS A 105 -7.235 -5.005 -7.236 1.00 0.00 C ATOM 1722 CD LYS A 105 -8.016 -3.899 -6.557 1.00 0.00 C ATOM 1723 CE LYS A 105 -7.236 -3.332 -5.388 1.00 0.00 C ATOM 1724 NZ LYS A 105 -5.912 -2.808 -5.816 1.00 0.00 N ATOM 0 H LYS A 105 -5.760 -4.912 -9.972 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.871 -7.326 -8.694 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -8.058 -4.562 -9.158 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.855 -5.880 -8.321 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.160 -5.861 -6.565 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.219 -4.663 -7.433 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.233 -3.107 -7.274 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.974 -4.285 -6.208 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.810 -2.532 -4.920 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.095 -4.106 -4.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -5.486 -2.265 -5.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -5.289 -3.602 -6.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.034 -2.190 -6.644 1.00 0.00 H new ATOM 1738 N TRP A 106 -7.052 -6.920 -11.677 1.00 0.00 N ATOM 1739 CA TRP A 106 -7.623 -7.351 -12.931 1.00 0.00 C ATOM 1740 C TRP A 106 -7.767 -8.870 -12.930 1.00 0.00 C ATOM 1741 O TRP A 106 -6.791 -9.602 -12.752 1.00 0.00 O ATOM 1742 CB TRP A 106 -6.746 -6.847 -14.085 1.00 0.00 C ATOM 1743 CG TRP A 106 -6.782 -7.707 -15.307 1.00 0.00 C ATOM 1744 CD1 TRP A 106 -5.906 -8.700 -15.604 1.00 0.00 C ATOM 1745 CD2 TRP A 106 -7.723 -7.655 -16.386 1.00 0.00 C ATOM 1746 NE1 TRP A 106 -6.241 -9.284 -16.803 1.00 0.00 N ATOM 1747 CE2 TRP A 106 -7.353 -8.657 -17.306 1.00 0.00 C ATOM 1748 CE3 TRP A 106 -8.841 -6.864 -16.667 1.00 0.00 C ATOM 1749 CZ2 TRP A 106 -8.061 -8.887 -18.483 1.00 0.00 C ATOM 1750 CZ3 TRP A 106 -9.544 -7.093 -17.835 1.00 0.00 C ATOM 1751 CH2 TRP A 106 -9.152 -8.097 -18.730 1.00 0.00 C ATOM 0 H TRP A 106 -6.066 -6.664 -11.728 1.00 0.00 H new ATOM 0 HA TRP A 106 -8.620 -6.930 -13.065 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -7.064 -5.840 -14.354 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -5.716 -6.773 -13.737 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -5.067 -8.990 -14.988 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -5.744 -10.057 -17.246 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -9.150 -6.087 -15.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -7.761 -9.660 -19.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -10.410 -6.488 -18.061 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -9.722 -8.251 -19.634 1.00 0.00 H new