USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 831 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 2 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.44) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.255 K(o=-0.25,f=-2.9) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HE2:sc= -0.0879 K(o=-0.088,f=-2.7!) USER MOD Single : A 36 LYS NZ :NH3+ 173:sc=-0.000402 (180deg=-0.057) USER MOD Single : A 37 ASN : amide:sc= 1 K(o=1,f=-0.00018) USER MOD Single : A 39 THR OG1 : rot 55:sc= 1.27 USER MOD Single : A 40 CYS SG : rot 26:sc= -0.743 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.0104 X(o=-0.01,f=0) USER MOD Single : A 55 GLN : amide:sc= 1.23 K(o=1.2,f=-0.051) USER MOD Single : A 57 TYR OH : rot -65:sc=0.000904 USER MOD Single : A 61 LYS NZ :NH3+ -177:sc= 0.126 (180deg=0.123) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 161:sc= -0.0041 (180deg=-0.312) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 170:sc= -0.357 USER MOD Single : A 92 THR OG1 : rot 146:sc= 1.2 USER MOD Single : A 99 HIS : no HD1:sc= -0.55 X(o=-0.55,f=-0.49) USER MOD Single : A 103 THR OG1 : rot -5:sc= 1.11 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= 0.131 K(o=0.13,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 8 N HIS A 2 1.554 -20.374 0.497 1.00 0.00 N ATOM 9 CA HIS A 2 1.996 -19.016 0.791 1.00 0.00 C ATOM 10 C HIS A 2 2.184 -18.820 2.309 1.00 0.00 C ATOM 11 O HIS A 2 1.767 -19.655 3.113 1.00 0.00 O ATOM 12 CB HIS A 2 0.956 -18.045 0.220 1.00 0.00 C ATOM 13 CG HIS A 2 0.868 -17.989 -1.289 1.00 0.00 C ATOM 14 ND1 HIS A 2 1.446 -18.832 -2.219 1.00 0.00 N ATOM 15 CD2 HIS A 2 0.129 -17.072 -1.980 1.00 0.00 C ATOM 16 CE1 HIS A 2 1.046 -18.432 -3.437 1.00 0.00 C ATOM 17 NE2 HIS A 2 0.217 -17.374 -3.344 1.00 0.00 N ATOM 0 HA HIS A 2 2.964 -18.823 0.329 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -0.023 -18.319 0.613 1.00 0.00 H new ATOM 0 HB3 HIS A 2 1.179 -17.044 0.590 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -0.428 -16.254 -1.548 1.00 0.00 H new ATOM 0 HE1 HIS A 2 1.348 -18.895 -4.365 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -0.251 -16.891 -4.111 1.00 0.00 H new ATOM 25 N VAL A 3 2.792 -17.706 2.713 1.00 0.00 N ATOM 26 CA VAL A 3 2.854 -17.221 4.098 1.00 0.00 C ATOM 27 C VAL A 3 1.543 -16.476 4.368 1.00 0.00 C ATOM 28 O VAL A 3 0.894 -16.048 3.419 1.00 0.00 O ATOM 29 CB VAL A 3 4.092 -16.300 4.197 1.00 0.00 C ATOM 30 CG1 VAL A 3 4.124 -15.314 5.369 1.00 0.00 C ATOM 31 CG2 VAL A 3 5.391 -17.120 4.157 1.00 0.00 C ATOM 0 H VAL A 3 3.276 -17.089 2.061 1.00 0.00 H new ATOM 0 HA VAL A 3 2.957 -18.014 4.839 1.00 0.00 H new ATOM 0 HB VAL A 3 4.006 -15.665 3.315 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.042 -14.727 5.326 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.264 -14.647 5.307 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.089 -15.865 6.309 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.247 -16.449 4.228 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.406 -17.818 4.994 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.442 -17.675 3.220 1.00 0.00 H new ATOM 41 N GLN A 4 1.161 -16.252 5.624 1.00 0.00 N ATOM 42 CA GLN A 4 -0.013 -15.523 6.035 1.00 0.00 C ATOM 43 C GLN A 4 0.404 -14.267 6.783 1.00 0.00 C ATOM 44 O GLN A 4 1.261 -14.349 7.668 1.00 0.00 O ATOM 45 CB GLN A 4 -0.851 -16.445 6.919 1.00 0.00 C ATOM 46 CG GLN A 4 -2.281 -15.961 6.827 1.00 0.00 C ATOM 47 CD GLN A 4 -3.208 -16.757 7.743 1.00 0.00 C ATOM 48 OE1 GLN A 4 -3.376 -17.967 7.599 1.00 0.00 O ATOM 49 NE2 GLN A 4 -3.872 -16.107 8.682 1.00 0.00 N ATOM 0 H GLN A 4 1.700 -16.598 6.418 1.00 0.00 H new ATOM 0 HA GLN A 4 -0.605 -15.213 5.174 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.771 -17.479 6.584 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.499 -16.416 7.950 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.325 -14.905 7.093 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -2.628 -16.045 5.797 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -3.734 -15.104 8.803 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -4.523 -16.608 9.286 1.00 0.00 H new ATOM 58 N LEU A 5 -0.207 -13.123 6.459 1.00 0.00 N ATOM 59 CA LEU A 5 0.061 -11.856 7.135 1.00 0.00 C ATOM 60 C LEU A 5 -1.243 -11.078 7.327 1.00 0.00 C ATOM 61 O LEU A 5 -2.222 -11.326 6.617 1.00 0.00 O ATOM 62 CB LEU A 5 1.096 -11.024 6.346 1.00 0.00 C ATOM 63 CG LEU A 5 2.523 -11.614 6.325 1.00 0.00 C ATOM 64 CD1 LEU A 5 3.399 -10.863 5.324 1.00 0.00 C ATOM 65 CD2 LEU A 5 3.219 -11.556 7.689 1.00 0.00 C ATOM 0 H LEU A 5 -0.904 -13.053 5.717 1.00 0.00 H new ATOM 0 HA LEU A 5 0.484 -12.064 8.118 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.748 -10.917 5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.139 -10.023 6.774 1.00 0.00 H new ATOM 0 HG LEU A 5 2.404 -12.659 6.040 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.401 -11.293 5.323 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.967 -10.948 4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.455 -9.812 5.607 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.217 -11.986 7.607 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.296 -10.519 8.014 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.639 -12.122 8.418 1.00 0.00 H new ATOM 77 N SER A 6 -1.268 -10.134 8.267 1.00 0.00 N ATOM 78 CA SER A 6 -2.400 -9.285 8.570 1.00 0.00 C ATOM 79 C SER A 6 -1.913 -7.855 8.819 1.00 0.00 C ATOM 80 O SER A 6 -0.725 -7.643 9.077 1.00 0.00 O ATOM 81 CB SER A 6 -3.127 -9.849 9.791 1.00 0.00 C ATOM 82 OG SER A 6 -3.182 -11.269 9.808 1.00 0.00 O ATOM 0 H SER A 6 -0.461 -9.938 8.859 1.00 0.00 H new ATOM 0 HA SER A 6 -3.096 -9.261 7.732 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.627 -9.501 10.695 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.142 -9.453 9.815 1.00 0.00 H new ATOM 0 HG SER A 6 -3.656 -11.568 10.612 1.00 0.00 H new ATOM 88 N LEU A 7 -2.803 -6.872 8.694 1.00 0.00 N ATOM 89 CA LEU A 7 -2.494 -5.443 8.768 1.00 0.00 C ATOM 90 C LEU A 7 -3.706 -4.713 9.344 1.00 0.00 C ATOM 91 O LEU A 7 -4.818 -5.229 9.215 1.00 0.00 O ATOM 92 CB LEU A 7 -2.249 -4.883 7.350 1.00 0.00 C ATOM 93 CG LEU A 7 -0.981 -5.401 6.653 1.00 0.00 C ATOM 94 CD1 LEU A 7 -0.991 -4.895 5.212 1.00 0.00 C ATOM 95 CD2 LEU A 7 0.329 -4.972 7.320 1.00 0.00 C ATOM 0 H LEU A 7 -3.794 -7.054 8.533 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.609 -5.301 9.388 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.111 -5.124 6.728 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.193 -3.796 7.410 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.008 -6.489 6.715 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.099 -5.250 4.695 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.879 -5.268 4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.002 -3.805 5.209 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.172 -5.381 6.763 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.394 -3.884 7.328 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.355 -5.345 8.344 1.00 0.00 H new ATOM 107 N PRO A 8 -3.531 -3.508 9.913 1.00 0.00 N ATOM 108 CA PRO A 8 -4.638 -2.613 10.220 1.00 0.00 C ATOM 109 C PRO A 8 -5.235 -2.064 8.916 1.00 0.00 C ATOM 110 O PRO A 8 -4.666 -2.234 7.838 1.00 0.00 O ATOM 111 CB PRO A 8 -4.021 -1.506 11.078 1.00 0.00 C ATOM 112 CG PRO A 8 -2.602 -1.403 10.533 1.00 0.00 C ATOM 113 CD PRO A 8 -2.264 -2.853 10.194 1.00 0.00 C ATOM 0 HA PRO A 8 -5.455 -3.105 10.747 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.563 -0.566 10.975 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.029 -1.764 12.137 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.552 -0.760 9.654 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.914 -0.989 11.271 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.598 -2.907 9.333 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.751 -3.338 11.024 1.00 0.00 H new ATOM 121 N VAL A 9 -6.346 -1.346 9.017 1.00 0.00 N ATOM 122 CA VAL A 9 -7.002 -0.595 7.952 1.00 0.00 C ATOM 123 C VAL A 9 -7.099 0.837 8.463 1.00 0.00 C ATOM 124 O VAL A 9 -7.329 1.012 9.667 1.00 0.00 O ATOM 125 CB VAL A 9 -8.395 -1.192 7.677 1.00 0.00 C ATOM 126 CG1 VAL A 9 -9.030 -0.592 6.421 1.00 0.00 C ATOM 127 CG2 VAL A 9 -8.372 -2.717 7.502 1.00 0.00 C ATOM 0 H VAL A 9 -6.846 -1.267 9.902 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.452 -0.635 7.012 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.984 -0.943 8.560 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.011 -1.038 6.261 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.138 0.485 6.547 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.394 -0.795 5.559 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.383 -3.077 7.311 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.729 -2.977 6.661 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.987 -3.182 8.410 1.00 0.00 H new ATOM 137 N LEU A 10 -6.921 1.845 7.601 1.00 0.00 N ATOM 138 CA LEU A 10 -6.805 3.229 8.029 1.00 0.00 C ATOM 139 C LEU A 10 -7.672 3.972 7.024 1.00 0.00 C ATOM 140 O LEU A 10 -7.450 3.793 5.826 1.00 0.00 O ATOM 141 CB LEU A 10 -5.320 3.655 7.975 1.00 0.00 C ATOM 142 CG LEU A 10 -4.361 2.881 8.910 1.00 0.00 C ATOM 143 CD1 LEU A 10 -2.910 2.951 8.421 1.00 0.00 C ATOM 144 CD2 LEU A 10 -4.416 3.403 10.343 1.00 0.00 C ATOM 0 H LEU A 10 -6.854 1.717 6.591 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.126 3.424 9.052 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.967 3.542 6.950 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.257 4.715 8.219 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.700 1.845 8.892 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.268 2.395 9.105 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.841 2.516 7.424 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.588 3.992 8.386 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.727 2.831 10.965 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.131 4.455 10.358 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.429 3.296 10.731 1.00 0.00 H new ATOM 156 N GLN A 11 -8.716 4.695 7.455 1.00 0.00 N ATOM 157 CA GLN A 11 -9.578 5.369 6.484 1.00 0.00 C ATOM 158 C GLN A 11 -8.728 6.358 5.712 1.00 0.00 C ATOM 159 O GLN A 11 -7.841 6.971 6.301 1.00 0.00 O ATOM 160 CB GLN A 11 -10.741 6.147 7.117 1.00 0.00 C ATOM 161 CG GLN A 11 -11.940 5.306 7.503 1.00 0.00 C ATOM 162 CD GLN A 11 -13.283 5.987 7.253 1.00 0.00 C ATOM 163 OE1 GLN A 11 -13.437 7.183 7.010 1.00 0.00 O ATOM 164 NE2 GLN A 11 -14.312 5.180 7.238 1.00 0.00 N ATOM 0 H GLN A 11 -8.975 4.824 8.433 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.014 4.593 5.855 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -10.374 6.659 8.007 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -11.066 6.917 6.417 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -11.909 4.370 6.945 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -11.866 5.049 8.560 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -14.185 4.188 7.439 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -15.241 5.542 7.025 1.00 0.00 H new ATOM 173 N VAL A 12 -9.065 6.618 4.446 1.00 0.00 N ATOM 174 CA VAL A 12 -8.310 7.501 3.566 1.00 0.00 C ATOM 175 C VAL A 12 -8.144 8.885 4.221 1.00 0.00 C ATOM 176 O VAL A 12 -7.171 9.591 3.958 1.00 0.00 O ATOM 177 CB VAL A 12 -9.028 7.572 2.206 1.00 0.00 C ATOM 178 CG1 VAL A 12 -10.450 8.154 2.290 1.00 0.00 C ATOM 179 CG2 VAL A 12 -8.182 8.347 1.190 1.00 0.00 C ATOM 0 H VAL A 12 -9.887 6.211 4.000 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.305 7.113 3.399 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.144 6.542 1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.894 8.174 1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.059 7.533 2.947 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.405 9.168 2.687 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.706 8.386 0.235 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.014 9.361 1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.223 7.846 1.057 1.00 0.00 H new ATOM 189 N ARG A 13 -9.095 9.262 5.091 1.00 0.00 N ATOM 190 CA ARG A 13 -9.070 10.537 5.787 1.00 0.00 C ATOM 191 C ARG A 13 -7.930 10.611 6.790 1.00 0.00 C ATOM 192 O ARG A 13 -7.332 11.672 6.954 1.00 0.00 O ATOM 193 CB ARG A 13 -10.402 10.842 6.487 1.00 0.00 C ATOM 194 CG ARG A 13 -10.967 9.671 7.305 1.00 0.00 C ATOM 195 CD ARG A 13 -12.189 10.077 8.116 1.00 0.00 C ATOM 196 NE ARG A 13 -11.867 10.494 9.485 1.00 0.00 N ATOM 197 CZ ARG A 13 -12.781 11.007 10.317 1.00 0.00 C ATOM 198 NH1 ARG A 13 -14.028 11.215 9.902 1.00 0.00 N ATOM 199 NH2 ARG A 13 -12.453 11.313 11.565 1.00 0.00 N ATOM 0 H ARG A 13 -9.901 8.682 5.325 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.908 11.295 5.021 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.265 11.699 7.147 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.136 11.133 5.736 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.233 8.855 6.633 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.196 9.293 7.976 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.700 10.894 7.606 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.886 9.240 8.153 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.908 10.389 9.816 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -14.292 10.983 8.944 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.720 11.606 10.541 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.500 11.158 11.895 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.153 11.704 12.195 1.00 0.00 H new ATOM 213 N ASP A 14 -7.675 9.495 7.456 1.00 0.00 N ATOM 214 CA ASP A 14 -6.787 9.350 8.593 1.00 0.00 C ATOM 215 C ASP A 14 -5.394 8.950 8.120 1.00 0.00 C ATOM 216 O ASP A 14 -4.396 9.209 8.799 1.00 0.00 O ATOM 217 CB ASP A 14 -7.368 8.279 9.530 1.00 0.00 C ATOM 218 CG ASP A 14 -8.469 8.829 10.456 1.00 0.00 C ATOM 219 OD1 ASP A 14 -9.078 9.889 10.164 1.00 0.00 O ATOM 220 OD2 ASP A 14 -8.778 8.177 11.475 1.00 0.00 O ATOM 0 H ASP A 14 -8.113 8.611 7.197 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.703 10.296 9.127 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.776 7.463 8.933 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.565 7.860 10.137 1.00 0.00 H new ATOM 225 N VAL A 15 -5.315 8.371 6.923 1.00 0.00 N ATOM 226 CA VAL A 15 -4.129 8.248 6.100 1.00 0.00 C ATOM 227 C VAL A 15 -3.573 9.600 5.671 1.00 0.00 C ATOM 228 O VAL A 15 -3.751 10.017 4.528 1.00 0.00 O ATOM 229 CB VAL A 15 -4.199 7.200 4.972 1.00 0.00 C ATOM 230 CG1 VAL A 15 -2.780 6.658 4.869 1.00 0.00 C ATOM 231 CG2 VAL A 15 -5.101 5.994 5.218 1.00 0.00 C ATOM 0 H VAL A 15 -6.133 7.951 6.481 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.384 7.811 6.765 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.610 7.697 4.093 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.736 5.901 4.086 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.096 7.472 4.627 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.491 6.213 5.821 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.065 5.331 4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.757 5.457 6.102 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.126 6.332 5.374 1.00 0.00 H new ATOM 241 N LEU A 16 -3.103 10.401 6.618 1.00 0.00 N ATOM 242 CA LEU A 16 -2.315 11.596 6.352 1.00 0.00 C ATOM 243 C LEU A 16 -1.368 11.430 5.150 1.00 0.00 C ATOM 244 O LEU A 16 -1.316 12.337 4.320 1.00 0.00 O ATOM 245 CB LEU A 16 -1.516 11.974 7.605 1.00 0.00 C ATOM 246 CG LEU A 16 -2.353 12.247 8.871 1.00 0.00 C ATOM 247 CD1 LEU A 16 -1.405 12.670 9.988 1.00 0.00 C ATOM 248 CD2 LEU A 16 -3.404 13.344 8.675 1.00 0.00 C ATOM 0 H LEU A 16 -3.262 10.235 7.612 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.011 12.394 6.096 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.813 11.170 7.822 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.925 12.863 7.383 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.890 11.330 9.114 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.977 12.869 10.895 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.688 11.871 10.179 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.872 13.573 9.690 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.958 13.487 9.603 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.910 14.276 8.400 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.093 13.051 7.883 1.00 0.00 H new ATOM 260 N VAL A 17 -0.661 10.299 5.013 1.00 0.00 N ATOM 261 CA VAL A 17 0.303 10.081 3.930 1.00 0.00 C ATOM 262 C VAL A 17 -0.032 8.791 3.173 1.00 0.00 C ATOM 263 O VAL A 17 0.109 7.695 3.709 1.00 0.00 O ATOM 264 CB VAL A 17 1.745 10.109 4.474 1.00 0.00 C ATOM 265 CG1 VAL A 17 2.751 10.051 3.320 1.00 0.00 C ATOM 266 CG2 VAL A 17 2.005 11.389 5.282 1.00 0.00 C ATOM 0 H VAL A 17 -0.743 9.509 5.653 1.00 0.00 H new ATOM 0 HA VAL A 17 0.231 10.895 3.209 1.00 0.00 H new ATOM 0 HB VAL A 17 1.867 9.241 5.122 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.765 10.072 3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.603 9.131 2.754 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.602 10.909 2.664 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.030 11.383 5.654 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.856 12.259 4.643 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.314 11.435 6.124 1.00 0.00 H new ATOM 276 N ARG A 18 -0.523 8.901 1.931 1.00 0.00 N ATOM 277 CA ARG A 18 -1.048 7.774 1.141 1.00 0.00 C ATOM 278 C ARG A 18 -0.142 7.437 -0.043 1.00 0.00 C ATOM 279 O ARG A 18 -0.592 6.873 -1.048 1.00 0.00 O ATOM 280 CB ARG A 18 -2.516 7.945 0.737 1.00 0.00 C ATOM 281 CG ARG A 18 -3.306 8.884 1.642 1.00 0.00 C ATOM 282 CD ARG A 18 -3.244 10.260 0.996 1.00 0.00 C ATOM 283 NE ARG A 18 -3.631 11.335 1.914 1.00 0.00 N ATOM 284 CZ ARG A 18 -3.382 12.642 1.767 1.00 0.00 C ATOM 285 NH1 ARG A 18 -2.723 13.109 0.715 1.00 0.00 N ATOM 286 NH2 ARG A 18 -3.788 13.493 2.696 1.00 0.00 N ATOM 0 H ARG A 18 -0.568 9.792 1.436 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.036 6.908 1.803 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.559 8.322 -0.285 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.998 6.967 0.737 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.338 8.549 1.742 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.879 8.907 2.645 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.231 10.442 0.636 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.900 10.278 0.125 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.143 11.059 2.752 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.393 12.467 -0.006 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.546 14.110 0.627 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.287 13.151 3.517 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.602 14.490 2.591 1.00 0.00 H new ATOM 300 N GLY A 19 1.123 7.829 0.042 1.00 0.00 N ATOM 301 CA GLY A 19 2.155 7.504 -0.908 1.00 0.00 C ATOM 302 C GLY A 19 3.300 7.014 -0.058 1.00 0.00 C ATOM 303 O GLY A 19 3.852 7.781 0.728 1.00 0.00 O ATOM 0 H GLY A 19 1.462 8.406 0.811 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.824 6.738 -1.609 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.441 8.374 -1.498 1.00 0.00 H new ATOM 307 N PHE A 20 3.624 5.731 -0.166 1.00 0.00 N ATOM 308 CA PHE A 20 4.909 5.248 0.305 1.00 0.00 C ATOM 309 C PHE A 20 6.061 5.973 -0.400 1.00 0.00 C ATOM 310 O PHE A 20 7.077 6.245 0.236 1.00 0.00 O ATOM 311 CB PHE A 20 5.010 3.752 0.040 1.00 0.00 C ATOM 312 CG PHE A 20 4.318 2.850 1.030 1.00 0.00 C ATOM 313 CD1 PHE A 20 4.744 2.813 2.370 1.00 0.00 C ATOM 314 CD2 PHE A 20 3.308 1.982 0.591 1.00 0.00 C ATOM 315 CE1 PHE A 20 4.151 1.908 3.263 1.00 0.00 C ATOM 316 CE2 PHE A 20 2.743 1.058 1.480 1.00 0.00 C ATOM 317 CZ PHE A 20 3.162 1.019 2.817 1.00 0.00 C ATOM 0 H PHE A 20 3.020 5.016 -0.571 1.00 0.00 H new ATOM 0 HA PHE A 20 4.984 5.445 1.374 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.600 3.552 -0.950 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.065 3.480 0.009 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.524 3.478 2.710 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.966 2.026 -0.432 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.457 1.896 4.299 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.982 0.374 1.134 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.725 0.307 3.501 1.00 0.00 H new ATOM 327 N GLY A 21 5.888 6.279 -1.688 1.00 0.00 N ATOM 328 CA GLY A 21 6.849 6.936 -2.550 1.00 0.00 C ATOM 329 C GLY A 21 6.127 7.592 -3.712 1.00 0.00 C ATOM 330 O GLY A 21 4.902 7.490 -3.815 1.00 0.00 O ATOM 0 H GLY A 21 5.020 6.058 -2.177 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.406 7.684 -1.986 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.574 6.212 -2.922 1.00 0.00 H new ATOM 334 N ASP A 22 6.897 8.251 -4.577 1.00 0.00 N ATOM 335 CA ASP A 22 6.363 9.125 -5.616 1.00 0.00 C ATOM 336 C ASP A 22 6.117 8.425 -6.956 1.00 0.00 C ATOM 337 O ASP A 22 5.227 8.831 -7.701 1.00 0.00 O ATOM 338 CB ASP A 22 7.338 10.284 -5.829 1.00 0.00 C ATOM 339 CG ASP A 22 6.764 11.349 -6.764 1.00 0.00 C ATOM 340 OD1 ASP A 22 6.085 12.279 -6.274 1.00 0.00 O ATOM 341 OD2 ASP A 22 7.086 11.326 -7.975 1.00 0.00 O ATOM 0 H ASP A 22 7.915 8.192 -4.575 1.00 0.00 H new ATOM 0 HA ASP A 22 5.389 9.470 -5.267 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.579 10.737 -4.867 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.271 9.902 -6.244 1.00 0.00 H new ATOM 346 N SER A 23 6.851 7.347 -7.242 1.00 0.00 N ATOM 347 CA SER A 23 6.698 6.529 -8.446 1.00 0.00 C ATOM 348 C SER A 23 6.231 5.123 -8.094 1.00 0.00 C ATOM 349 O SER A 23 6.282 4.713 -6.934 1.00 0.00 O ATOM 350 CB SER A 23 8.026 6.468 -9.205 1.00 0.00 C ATOM 351 OG SER A 23 8.118 7.584 -10.067 1.00 0.00 O ATOM 0 H SER A 23 7.589 7.010 -6.624 1.00 0.00 H new ATOM 0 HA SER A 23 5.941 6.989 -9.081 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.860 6.465 -8.503 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.089 5.543 -9.779 1.00 0.00 H new ATOM 0 HG SER A 23 8.967 7.551 -10.555 1.00 0.00 H new ATOM 357 N VAL A 24 5.787 4.373 -9.106 1.00 0.00 N ATOM 358 CA VAL A 24 5.262 3.024 -8.916 1.00 0.00 C ATOM 359 C VAL A 24 6.339 2.158 -8.304 1.00 0.00 C ATOM 360 O VAL A 24 6.067 1.535 -7.283 1.00 0.00 O ATOM 361 CB VAL A 24 4.676 2.409 -10.207 1.00 0.00 C ATOM 362 CG1 VAL A 24 3.766 1.226 -9.892 1.00 0.00 C ATOM 363 CG2 VAL A 24 3.859 3.454 -10.937 1.00 0.00 C ATOM 0 H VAL A 24 5.782 4.686 -10.077 1.00 0.00 H new ATOM 0 HA VAL A 24 4.416 3.081 -8.231 1.00 0.00 H new ATOM 0 HB VAL A 24 5.508 2.066 -10.822 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.369 0.815 -10.820 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.336 0.458 -9.369 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.942 1.559 -9.261 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.445 3.021 -11.848 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.046 3.794 -10.295 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.497 4.300 -11.194 1.00 0.00 H new ATOM 373 N GLU A 25 7.541 2.144 -8.888 1.00 0.00 N ATOM 374 CA GLU A 25 8.567 1.254 -8.381 1.00 0.00 C ATOM 375 C GLU A 25 8.991 1.636 -6.959 1.00 0.00 C ATOM 376 O GLU A 25 9.274 0.741 -6.163 1.00 0.00 O ATOM 377 CB GLU A 25 9.804 1.220 -9.281 1.00 0.00 C ATOM 378 CG GLU A 25 9.607 0.383 -10.545 1.00 0.00 C ATOM 379 CD GLU A 25 10.960 0.046 -11.166 1.00 0.00 C ATOM 380 OE1 GLU A 25 11.550 0.911 -11.847 1.00 0.00 O ATOM 381 OE2 GLU A 25 11.422 -1.111 -10.997 1.00 0.00 O ATOM 0 H GLU A 25 7.814 2.720 -9.684 1.00 0.00 H new ATOM 0 HA GLU A 25 8.121 0.260 -8.369 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.067 2.239 -9.565 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.646 0.820 -8.716 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.070 -0.534 -10.303 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.995 0.931 -11.262 1.00 0.00 H new ATOM 388 N GLU A 26 9.012 2.942 -6.658 1.00 0.00 N ATOM 389 CA GLU A 26 9.333 3.491 -5.345 1.00 0.00 C ATOM 390 C GLU A 26 8.353 2.937 -4.323 1.00 0.00 C ATOM 391 O GLU A 26 8.740 2.220 -3.401 1.00 0.00 O ATOM 392 CB GLU A 26 9.272 5.030 -5.326 1.00 0.00 C ATOM 393 CG GLU A 26 10.383 5.682 -6.155 1.00 0.00 C ATOM 394 CD GLU A 26 11.796 5.501 -5.582 1.00 0.00 C ATOM 395 OE1 GLU A 26 11.989 5.542 -4.340 1.00 0.00 O ATOM 396 OE2 GLU A 26 12.752 5.344 -6.370 1.00 0.00 O ATOM 0 H GLU A 26 8.799 3.663 -7.347 1.00 0.00 H new ATOM 0 HA GLU A 26 10.355 3.199 -5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.304 5.355 -5.707 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.343 5.378 -4.296 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.358 5.267 -7.163 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.175 6.748 -6.244 1.00 0.00 H new ATOM 403 N ALA A 27 7.072 3.253 -4.515 1.00 0.00 N ATOM 404 CA ALA A 27 6.026 2.910 -3.580 1.00 0.00 C ATOM 405 C ALA A 27 5.945 1.393 -3.423 1.00 0.00 C ATOM 406 O ALA A 27 5.826 0.929 -2.297 1.00 0.00 O ATOM 407 CB ALA A 27 4.708 3.517 -4.053 1.00 0.00 C ATOM 0 H ALA A 27 6.739 3.759 -5.335 1.00 0.00 H new ATOM 0 HA ALA A 27 6.248 3.322 -2.596 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.916 3.260 -3.350 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.806 4.601 -4.109 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.459 3.124 -5.039 1.00 0.00 H new ATOM 413 N LEU A 28 6.050 0.612 -4.507 1.00 0.00 N ATOM 414 CA LEU A 28 6.082 -0.851 -4.429 1.00 0.00 C ATOM 415 C LEU A 28 7.258 -1.362 -3.576 1.00 0.00 C ATOM 416 O LEU A 28 7.105 -2.354 -2.855 1.00 0.00 O ATOM 417 CB LEU A 28 6.156 -1.442 -5.849 1.00 0.00 C ATOM 418 CG LEU A 28 5.220 -2.630 -6.096 1.00 0.00 C ATOM 419 CD1 LEU A 28 5.297 -3.062 -7.567 1.00 0.00 C ATOM 420 CD2 LEU A 28 5.541 -3.834 -5.216 1.00 0.00 C ATOM 0 H LEU A 28 6.115 0.977 -5.457 1.00 0.00 H new ATOM 0 HA LEU A 28 5.165 -1.179 -3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.922 -0.657 -6.568 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.181 -1.757 -6.044 1.00 0.00 H new ATOM 0 HG LEU A 28 4.216 -2.290 -5.842 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.629 -3.907 -7.734 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.998 -2.231 -8.206 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.319 -3.355 -7.807 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.844 -4.642 -5.437 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.559 -4.168 -5.414 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.449 -3.553 -4.167 1.00 0.00 H new ATOM 432 N SER A 29 8.423 -0.712 -3.652 1.00 0.00 N ATOM 433 CA SER A 29 9.618 -1.120 -2.922 1.00 0.00 C ATOM 434 C SER A 29 9.422 -0.847 -1.440 1.00 0.00 C ATOM 435 O SER A 29 9.548 -1.734 -0.593 1.00 0.00 O ATOM 436 CB SER A 29 10.842 -0.343 -3.433 1.00 0.00 C ATOM 437 OG SER A 29 12.040 -0.931 -2.942 1.00 0.00 O ATOM 0 H SER A 29 8.560 0.119 -4.228 1.00 0.00 H new ATOM 0 HA SER A 29 9.786 -2.185 -3.079 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.850 -0.340 -4.523 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.781 0.697 -3.112 1.00 0.00 H new ATOM 0 HG SER A 29 12.812 -0.428 -3.276 1.00 0.00 H new ATOM 443 N GLU A 30 9.095 0.402 -1.144 1.00 0.00 N ATOM 444 CA GLU A 30 8.857 0.912 0.182 1.00 0.00 C ATOM 445 C GLU A 30 7.788 0.081 0.861 1.00 0.00 C ATOM 446 O GLU A 30 7.932 -0.280 2.021 1.00 0.00 O ATOM 447 CB GLU A 30 8.292 2.304 0.007 1.00 0.00 C ATOM 448 CG GLU A 30 9.283 3.380 -0.389 1.00 0.00 C ATOM 449 CD GLU A 30 10.096 3.798 0.832 1.00 0.00 C ATOM 450 OE1 GLU A 30 9.510 4.298 1.818 1.00 0.00 O ATOM 451 OE2 GLU A 30 11.310 3.493 0.873 1.00 0.00 O ATOM 0 H GLU A 30 8.985 1.116 -1.864 1.00 0.00 H new ATOM 0 HA GLU A 30 9.774 0.894 0.772 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.508 2.264 -0.750 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.817 2.602 0.942 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.946 3.009 -1.171 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.756 4.241 -0.800 1.00 0.00 H new ATOM 458 N ALA A 31 6.719 -0.235 0.137 1.00 0.00 N ATOM 459 CA ALA A 31 5.625 -1.047 0.597 1.00 0.00 C ATOM 460 C ALA A 31 6.126 -2.406 1.066 1.00 0.00 C ATOM 461 O ALA A 31 5.798 -2.819 2.180 1.00 0.00 O ATOM 462 CB ALA A 31 4.639 -1.174 -0.552 1.00 0.00 C ATOM 0 H ALA A 31 6.597 0.086 -0.823 1.00 0.00 H new ATOM 0 HA ALA A 31 5.133 -0.588 1.454 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.793 -1.786 -0.239 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.285 -0.184 -0.839 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.131 -1.644 -1.404 1.00 0.00 H new ATOM 468 N ARG A 32 6.941 -3.087 0.255 1.00 0.00 N ATOM 469 CA ARG A 32 7.603 -4.337 0.627 1.00 0.00 C ATOM 470 C ARG A 32 8.395 -4.166 1.911 1.00 0.00 C ATOM 471 O ARG A 32 8.337 -5.041 2.776 1.00 0.00 O ATOM 472 CB ARG A 32 8.508 -4.775 -0.541 1.00 0.00 C ATOM 473 CG ARG A 32 8.899 -6.249 -0.475 1.00 0.00 C ATOM 474 CD ARG A 32 9.904 -6.586 -1.585 1.00 0.00 C ATOM 475 NE ARG A 32 9.810 -8.008 -1.929 1.00 0.00 N ATOM 476 CZ ARG A 32 10.408 -8.653 -2.927 1.00 0.00 C ATOM 477 NH1 ARG A 32 11.358 -8.085 -3.658 1.00 0.00 N ATOM 478 NH2 ARG A 32 10.047 -9.903 -3.168 1.00 0.00 N ATOM 0 H ARG A 32 7.161 -2.779 -0.692 1.00 0.00 H new ATOM 0 HA ARG A 32 6.859 -5.111 0.816 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.994 -4.583 -1.483 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.411 -4.165 -0.541 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.334 -6.473 0.499 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.011 -6.872 -0.578 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.704 -5.976 -2.466 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.916 -6.349 -1.256 1.00 0.00 H new ATOM 0 HE ARG A 32 9.211 -8.574 -1.328 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.649 -7.127 -3.461 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.798 -8.606 -4.417 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.328 -10.346 -2.595 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.487 -10.424 -3.926 1.00 0.00 H new ATOM 492 N GLU A 33 9.112 -3.061 2.062 1.00 0.00 N ATOM 493 CA GLU A 33 9.866 -2.810 3.263 1.00 0.00 C ATOM 494 C GLU A 33 8.958 -2.555 4.456 1.00 0.00 C ATOM 495 O GLU A 33 9.194 -3.101 5.528 1.00 0.00 O ATOM 496 CB GLU A 33 10.813 -1.634 2.998 1.00 0.00 C ATOM 497 CG GLU A 33 12.153 -2.168 2.506 1.00 0.00 C ATOM 498 CD GLU A 33 12.986 -2.758 3.637 1.00 0.00 C ATOM 499 OE1 GLU A 33 12.742 -3.930 4.011 1.00 0.00 O ATOM 500 OE2 GLU A 33 13.926 -2.090 4.122 1.00 0.00 O ATOM 0 H GLU A 33 9.182 -2.326 1.358 1.00 0.00 H new ATOM 0 HA GLU A 33 10.450 -3.693 3.521 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.380 -0.964 2.255 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.953 -1.052 3.909 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.982 -2.931 1.747 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.710 -1.362 2.028 1.00 0.00 H new ATOM 507 N HIS A 34 7.908 -1.758 4.305 1.00 0.00 N ATOM 508 CA HIS A 34 7.045 -1.362 5.401 1.00 0.00 C ATOM 509 C HIS A 34 6.219 -2.564 5.857 1.00 0.00 C ATOM 510 O HIS A 34 5.949 -2.700 7.048 1.00 0.00 O ATOM 511 CB HIS A 34 6.196 -0.153 4.986 1.00 0.00 C ATOM 512 CG HIS A 34 6.977 1.147 5.009 1.00 0.00 C ATOM 513 ND1 HIS A 34 8.050 1.451 4.201 1.00 0.00 N ATOM 514 CD2 HIS A 34 6.758 2.233 5.820 1.00 0.00 C ATOM 515 CE1 HIS A 34 8.493 2.675 4.524 1.00 0.00 C ATOM 516 NE2 HIS A 34 7.755 3.173 5.534 1.00 0.00 N ATOM 0 H HIS A 34 7.632 -1.366 3.405 1.00 0.00 H new ATOM 0 HA HIS A 34 7.634 -1.041 6.260 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.802 -0.318 3.983 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.339 -0.069 5.655 1.00 0.00 H new ATOM 0 HD1 HIS A 34 8.442 0.847 3.479 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.964 2.342 6.544 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.317 3.184 4.046 1.00 0.00 H new ATOM 524 N LEU A 35 5.897 -3.486 4.945 1.00 0.00 N ATOM 525 CA LEU A 35 5.341 -4.796 5.257 1.00 0.00 C ATOM 526 C LEU A 35 6.297 -5.603 6.121 1.00 0.00 C ATOM 527 O LEU A 35 5.865 -6.201 7.106 1.00 0.00 O ATOM 528 CB LEU A 35 5.081 -5.600 3.969 1.00 0.00 C ATOM 529 CG LEU A 35 3.847 -5.192 3.162 1.00 0.00 C ATOM 530 CD1 LEU A 35 3.773 -6.004 1.867 1.00 0.00 C ATOM 531 CD2 LEU A 35 2.553 -5.336 3.952 1.00 0.00 C ATOM 0 H LEU A 35 6.021 -3.333 3.944 1.00 0.00 H new ATOM 0 HA LEU A 35 4.407 -4.626 5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.957 -5.512 3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.985 -6.653 4.234 1.00 0.00 H new ATOM 0 HG LEU A 35 3.955 -4.134 2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.891 -5.706 1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.667 -5.820 1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.709 -7.065 2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.711 -5.033 3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.425 -6.375 4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.596 -4.703 4.838 1.00 0.00 H new ATOM 543 N LYS A 36 7.576 -5.680 5.746 1.00 0.00 N ATOM 544 CA LYS A 36 8.562 -6.473 6.438 1.00 0.00 C ATOM 545 C LYS A 36 8.764 -5.900 7.834 1.00 0.00 C ATOM 546 O LYS A 36 8.722 -6.632 8.821 1.00 0.00 O ATOM 547 CB LYS A 36 9.848 -6.463 5.594 1.00 0.00 C ATOM 548 CG LYS A 36 10.773 -7.599 5.997 1.00 0.00 C ATOM 549 CD LYS A 36 10.349 -8.923 5.355 1.00 0.00 C ATOM 550 CE LYS A 36 10.587 -8.985 3.840 1.00 0.00 C ATOM 551 NZ LYS A 36 12.014 -8.901 3.474 1.00 0.00 N ATOM 0 H LYS A 36 7.949 -5.181 4.939 1.00 0.00 H new ATOM 0 HA LYS A 36 8.246 -7.509 6.562 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.595 -6.553 4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.361 -5.510 5.719 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.794 -7.360 5.701 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.772 -7.703 7.082 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.894 -9.738 5.832 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.290 -9.089 5.553 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.172 -9.915 3.451 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.046 -8.169 3.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.121 -9.067 2.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.378 -7.956 3.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.550 -9.621 3.999 1.00 0.00 H new ATOM 565 N ASN A 37 8.934 -4.584 7.905 1.00 0.00 N ATOM 566 CA ASN A 37 9.166 -3.842 9.124 1.00 0.00 C ATOM 567 C ASN A 37 7.964 -3.925 10.070 1.00 0.00 C ATOM 568 O ASN A 37 8.169 -4.061 11.277 1.00 0.00 O ATOM 569 CB ASN A 37 9.541 -2.392 8.783 1.00 0.00 C ATOM 570 CG ASN A 37 11.007 -2.255 8.380 1.00 0.00 C ATOM 571 OD1 ASN A 37 11.889 -2.210 9.229 1.00 0.00 O ATOM 572 ND2 ASN A 37 11.323 -2.212 7.095 1.00 0.00 N ATOM 0 H ASN A 37 8.912 -3.988 7.078 1.00 0.00 H new ATOM 0 HA ASN A 37 10.003 -4.292 9.658 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.908 -2.036 7.970 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.342 -1.755 9.645 1.00 0.00 H new ATOM 0 HD21 ASN A 37 12.300 -2.141 6.812 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.589 -2.249 6.388 1.00 0.00 H new ATOM 579 N GLY A 38 6.735 -3.893 9.545 1.00 0.00 N ATOM 580 CA GLY A 38 5.485 -3.933 10.306 1.00 0.00 C ATOM 581 C GLY A 38 4.711 -2.610 10.256 1.00 0.00 C ATOM 582 O GLY A 38 3.575 -2.531 10.731 1.00 0.00 O ATOM 0 H GLY A 38 6.579 -3.836 8.539 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.854 -4.732 9.916 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.706 -4.179 11.345 1.00 0.00 H new ATOM 586 N THR A 39 5.271 -1.587 9.614 1.00 0.00 N ATOM 587 CA THR A 39 4.753 -0.223 9.560 1.00 0.00 C ATOM 588 C THR A 39 3.947 -0.054 8.284 1.00 0.00 C ATOM 589 O THR A 39 4.083 0.906 7.533 1.00 0.00 O ATOM 590 CB THR A 39 5.897 0.784 9.772 1.00 0.00 C ATOM 591 OG1 THR A 39 5.545 2.144 9.641 1.00 0.00 O ATOM 592 CG2 THR A 39 7.064 0.504 8.829 1.00 0.00 C ATOM 0 H THR A 39 6.141 -1.693 9.092 1.00 0.00 H new ATOM 0 HA THR A 39 4.058 -0.017 10.374 1.00 0.00 H new ATOM 0 HB THR A 39 6.177 0.629 10.814 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.794 2.347 10.238 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.856 1.232 9.004 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.447 -0.500 9.013 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.723 0.579 7.796 1.00 0.00 H new ATOM 600 N CYS A 40 3.045 -0.988 8.033 1.00 0.00 N ATOM 601 CA CYS A 40 2.085 -0.863 6.964 1.00 0.00 C ATOM 602 C CYS A 40 0.699 -1.054 7.561 1.00 0.00 C ATOM 603 O CYS A 40 0.527 -1.782 8.544 1.00 0.00 O ATOM 604 CB CYS A 40 2.487 -1.841 5.861 1.00 0.00 C ATOM 605 SG CYS A 40 1.247 -1.891 4.542 1.00 0.00 S ATOM 0 H CYS A 40 2.963 -1.852 8.568 1.00 0.00 H new ATOM 0 HA CYS A 40 2.065 0.118 6.490 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.451 -1.548 5.446 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.612 -2.838 6.284 1.00 0.00 H new ATOM 0 HG CYS A 40 0.600 -0.764 4.512 1.00 0.00 H new ATOM 611 N GLY A 41 -0.266 -0.365 6.970 1.00 0.00 N ATOM 612 CA GLY A 41 -1.682 -0.564 7.133 1.00 0.00 C ATOM 613 C GLY A 41 -2.333 -0.584 5.757 1.00 0.00 C ATOM 614 O GLY A 41 -1.654 -0.487 4.733 1.00 0.00 O ATOM 0 H GLY A 41 -0.057 0.396 6.323 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.874 -1.501 7.656 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.108 0.234 7.741 1.00 0.00 H new ATOM 618 N LEU A 42 -3.649 -0.729 5.736 1.00 0.00 N ATOM 619 CA LEU A 42 -4.492 -0.772 4.551 1.00 0.00 C ATOM 620 C LEU A 42 -5.416 0.444 4.556 1.00 0.00 C ATOM 621 O LEU A 42 -5.378 1.236 5.487 1.00 0.00 O ATOM 622 CB LEU A 42 -5.259 -2.113 4.565 1.00 0.00 C ATOM 623 CG LEU A 42 -5.903 -2.534 3.229 1.00 0.00 C ATOM 624 CD1 LEU A 42 -4.824 -2.991 2.250 1.00 0.00 C ATOM 625 CD2 LEU A 42 -6.928 -3.646 3.453 1.00 0.00 C ATOM 0 H LEU A 42 -4.189 -0.825 6.596 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.911 -0.725 3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.572 -2.899 4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.042 -2.054 5.321 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.421 -1.674 2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.288 -3.287 1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.126 -2.173 2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.286 -3.840 2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.372 -3.930 2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.435 -4.512 3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.709 -3.291 4.125 1.00 0.00 H new ATOM 637 N VAL A 43 -6.265 0.588 3.549 1.00 0.00 N ATOM 638 CA VAL A 43 -7.391 1.501 3.461 1.00 0.00 C ATOM 639 C VAL A 43 -8.426 0.819 2.567 1.00 0.00 C ATOM 640 O VAL A 43 -8.040 0.051 1.683 1.00 0.00 O ATOM 641 CB VAL A 43 -6.923 2.838 2.850 1.00 0.00 C ATOM 642 CG1 VAL A 43 -6.369 2.733 1.489 1.00 0.00 C ATOM 643 CG2 VAL A 43 -8.056 3.857 2.725 1.00 0.00 C ATOM 0 H VAL A 43 -6.175 0.022 2.705 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.818 1.722 4.439 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.152 3.151 3.554 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.067 3.721 1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.503 2.071 1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.127 2.329 0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.670 4.779 2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.840 3.453 2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.467 4.067 3.712 1.00 0.00 H new ATOM 653 N GLU A 44 -9.713 1.122 2.718 1.00 0.00 N ATOM 654 CA GLU A 44 -10.748 0.548 1.865 1.00 0.00 C ATOM 655 C GLU A 44 -11.018 1.520 0.720 1.00 0.00 C ATOM 656 O GLU A 44 -11.142 2.731 0.934 1.00 0.00 O ATOM 657 CB GLU A 44 -12.016 0.262 2.673 1.00 0.00 C ATOM 658 CG GLU A 44 -11.725 -0.645 3.877 1.00 0.00 C ATOM 659 CD GLU A 44 -12.842 -0.560 4.911 1.00 0.00 C ATOM 660 OE1 GLU A 44 -12.807 0.375 5.755 1.00 0.00 O ATOM 661 OE2 GLU A 44 -13.736 -1.434 4.863 1.00 0.00 O ATOM 0 H GLU A 44 -10.064 1.765 3.427 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.414 -0.405 1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.447 1.201 3.020 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.759 -0.212 2.031 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.614 -1.676 3.541 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.779 -0.355 4.334 1.00 0.00 H new ATOM 668 N LEU A 45 -11.058 0.993 -0.501 1.00 0.00 N ATOM 669 CA LEU A 45 -11.277 1.728 -1.739 1.00 0.00 C ATOM 670 C LEU A 45 -12.728 2.163 -1.889 1.00 0.00 C ATOM 671 O LEU A 45 -13.598 1.367 -2.253 1.00 0.00 O ATOM 672 CB LEU A 45 -10.815 0.877 -2.932 1.00 0.00 C ATOM 673 CG LEU A 45 -9.283 0.917 -3.068 1.00 0.00 C ATOM 674 CD1 LEU A 45 -8.779 -0.328 -3.791 1.00 0.00 C ATOM 675 CD2 LEU A 45 -8.847 2.178 -3.823 1.00 0.00 C ATOM 0 H LEU A 45 -10.932 -0.007 -0.659 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.683 2.642 -1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.147 -0.153 -2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.276 1.246 -3.848 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.849 0.939 -2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.693 -0.283 -3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.061 -1.216 -3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.222 -0.375 -4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.761 2.192 -3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.292 2.178 -4.818 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.178 3.062 -3.277 1.00 0.00 H new ATOM 687 N GLU A 46 -12.969 3.453 -1.677 1.00 0.00 N ATOM 688 CA GLU A 46 -14.227 4.143 -1.939 1.00 0.00 C ATOM 689 C GLU A 46 -14.137 4.888 -3.274 1.00 0.00 C ATOM 690 O GLU A 46 -13.071 4.923 -3.894 1.00 0.00 O ATOM 691 CB GLU A 46 -14.611 5.092 -0.794 1.00 0.00 C ATOM 692 CG GLU A 46 -14.241 4.605 0.613 1.00 0.00 C ATOM 693 CD GLU A 46 -15.007 3.370 1.099 1.00 0.00 C ATOM 694 OE1 GLU A 46 -15.422 2.523 0.277 1.00 0.00 O ATOM 695 OE2 GLU A 46 -15.200 3.218 2.325 1.00 0.00 O ATOM 0 H GLU A 46 -12.256 4.077 -1.299 1.00 0.00 H new ATOM 0 HA GLU A 46 -15.020 3.398 -2.002 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -14.130 6.055 -0.965 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -15.687 5.262 -0.830 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.174 4.382 0.634 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -14.411 5.419 1.318 1.00 0.00 H new ATOM 702 N LYS A 47 -15.226 5.525 -3.717 1.00 0.00 N ATOM 703 CA LYS A 47 -15.225 6.388 -4.901 1.00 0.00 C ATOM 704 C LYS A 47 -14.210 7.511 -4.707 1.00 0.00 C ATOM 705 O LYS A 47 -13.293 7.657 -5.516 1.00 0.00 O ATOM 706 CB LYS A 47 -16.657 6.883 -5.154 1.00 0.00 C ATOM 707 CG LYS A 47 -16.796 7.878 -6.316 1.00 0.00 C ATOM 708 CD LYS A 47 -18.266 8.225 -6.606 1.00 0.00 C ATOM 709 CE LYS A 47 -19.015 6.986 -7.115 1.00 0.00 C ATOM 710 NZ LYS A 47 -20.344 7.295 -7.669 1.00 0.00 N ATOM 0 H LYS A 47 -16.136 5.456 -3.262 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.915 5.845 -5.794 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.295 6.022 -5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -17.030 7.353 -4.244 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -16.248 8.790 -6.079 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -16.340 7.456 -7.211 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -18.743 8.601 -5.701 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -18.319 9.021 -7.349 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -18.414 6.497 -7.882 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -19.127 6.276 -6.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -20.797 6.417 -7.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -20.933 7.736 -6.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -20.242 7.950 -8.470 1.00 0.00 H new ATOM 724 N GLY A 48 -14.314 8.238 -3.601 1.00 0.00 N ATOM 725 CA GLY A 48 -13.342 9.239 -3.201 1.00 0.00 C ATOM 726 C GLY A 48 -12.220 8.582 -2.413 1.00 0.00 C ATOM 727 O GLY A 48 -12.099 8.820 -1.213 1.00 0.00 O ATOM 0 H GLY A 48 -15.092 8.144 -2.948 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -12.937 9.738 -4.081 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -13.824 10.005 -2.594 1.00 0.00 H new ATOM 731 N VAL A 49 -11.407 7.737 -3.050 1.00 0.00 N ATOM 732 CA VAL A 49 -10.095 7.378 -2.516 1.00 0.00 C ATOM 733 C VAL A 49 -8.999 7.758 -3.491 1.00 0.00 C ATOM 734 O VAL A 49 -8.195 8.616 -3.160 1.00 0.00 O ATOM 735 CB VAL A 49 -10.061 5.904 -2.071 1.00 0.00 C ATOM 736 CG1 VAL A 49 -8.671 5.377 -1.693 1.00 0.00 C ATOM 737 CG2 VAL A 49 -10.938 5.747 -0.830 1.00 0.00 C ATOM 0 H VAL A 49 -11.636 7.289 -3.937 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.904 7.956 -1.612 1.00 0.00 H new ATOM 0 HB VAL A 49 -10.408 5.333 -2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.747 4.332 -1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.004 5.461 -2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.272 5.964 -0.865 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.923 4.707 -0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.556 6.384 -0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.961 6.038 -1.068 1.00 0.00 H new ATOM 747 N LEU A 50 -8.976 7.160 -4.678 1.00 0.00 N ATOM 748 CA LEU A 50 -7.953 7.367 -5.697 1.00 0.00 C ATOM 749 C LEU A 50 -7.744 8.872 -5.941 1.00 0.00 C ATOM 750 O LEU A 50 -6.616 9.325 -5.778 1.00 0.00 O ATOM 751 CB LEU A 50 -8.407 6.639 -6.972 1.00 0.00 C ATOM 752 CG LEU A 50 -8.126 5.123 -7.067 1.00 0.00 C ATOM 753 CD1 LEU A 50 -7.579 4.726 -8.440 1.00 0.00 C ATOM 754 CD2 LEU A 50 -7.242 4.532 -5.965 1.00 0.00 C ATOM 0 H LEU A 50 -9.694 6.495 -4.967 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.993 6.963 -5.374 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.481 6.789 -7.081 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.930 7.123 -7.824 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.112 4.683 -6.915 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.396 3.652 -8.462 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.305 4.986 -9.210 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.646 5.257 -8.627 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.114 3.463 -6.135 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.268 5.021 -5.979 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.714 4.691 -4.995 1.00 0.00 H new ATOM 766 N PRO A 51 -8.779 9.700 -6.195 1.00 0.00 N ATOM 767 CA PRO A 51 -8.590 11.126 -6.440 1.00 0.00 C ATOM 768 C PRO A 51 -8.349 11.938 -5.145 1.00 0.00 C ATOM 769 O PRO A 51 -8.552 13.153 -5.132 1.00 0.00 O ATOM 770 CB PRO A 51 -9.827 11.538 -7.236 1.00 0.00 C ATOM 771 CG PRO A 51 -10.927 10.698 -6.600 1.00 0.00 C ATOM 772 CD PRO A 51 -10.205 9.385 -6.295 1.00 0.00 C ATOM 0 HA PRO A 51 -7.680 11.338 -7.002 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -10.029 12.605 -7.147 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.716 11.322 -8.299 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.322 11.163 -5.697 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.768 10.551 -7.277 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.571 8.950 -5.365 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.385 8.653 -7.082 1.00 0.00 H new ATOM 780 N GLN A 52 -8.015 11.279 -4.030 1.00 0.00 N ATOM 781 CA GLN A 52 -7.500 11.862 -2.793 1.00 0.00 C ATOM 782 C GLN A 52 -6.122 11.265 -2.430 1.00 0.00 C ATOM 783 O GLN A 52 -5.605 11.551 -1.349 1.00 0.00 O ATOM 784 CB GLN A 52 -8.481 11.629 -1.624 1.00 0.00 C ATOM 785 CG GLN A 52 -9.936 12.059 -1.875 1.00 0.00 C ATOM 786 CD GLN A 52 -10.776 12.066 -0.591 1.00 0.00 C ATOM 787 OE1 GLN A 52 -11.524 13.006 -0.317 1.00 0.00 O ATOM 788 NE2 GLN A 52 -10.694 11.023 0.222 1.00 0.00 N ATOM 0 H GLN A 52 -8.103 10.265 -3.967 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.390 12.934 -2.960 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.474 10.568 -1.374 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -8.109 12.165 -0.750 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.946 13.055 -2.317 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.391 11.384 -2.600 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.074 10.246 -0.006 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.251 10.997 1.076 1.00 0.00 H new ATOM 797 N LEU A 53 -5.529 10.402 -3.259 1.00 0.00 N ATOM 798 CA LEU A 53 -4.251 9.735 -2.994 1.00 0.00 C ATOM 799 C LEU A 53 -3.142 10.463 -3.767 1.00 0.00 C ATOM 800 O LEU A 53 -3.389 11.526 -4.334 1.00 0.00 O ATOM 801 CB LEU A 53 -4.386 8.235 -3.321 1.00 0.00 C ATOM 802 CG LEU A 53 -5.183 7.326 -2.356 1.00 0.00 C ATOM 803 CD1 LEU A 53 -4.291 6.208 -1.812 1.00 0.00 C ATOM 804 CD2 LEU A 53 -5.795 7.986 -1.123 1.00 0.00 C ATOM 0 H LEU A 53 -5.935 10.141 -4.157 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.972 9.787 -1.941 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.846 8.153 -4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.380 7.824 -3.404 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.002 6.986 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.869 5.579 -1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.919 5.604 -2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.449 6.644 -1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.325 7.237 -0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.005 8.430 -0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.493 8.763 -1.435 1.00 0.00 H new ATOM 816 N GLU A 54 -1.902 9.970 -3.689 1.00 0.00 N ATOM 817 CA GLU A 54 -0.763 10.494 -4.449 1.00 0.00 C ATOM 818 C GLU A 54 -0.940 10.115 -5.913 1.00 0.00 C ATOM 819 O GLU A 54 -1.550 10.854 -6.682 1.00 0.00 O ATOM 820 CB GLU A 54 0.563 9.999 -3.826 1.00 0.00 C ATOM 821 CG GLU A 54 0.970 10.811 -2.581 1.00 0.00 C ATOM 822 CD GLU A 54 2.245 11.655 -2.760 1.00 0.00 C ATOM 823 OE1 GLU A 54 2.459 12.213 -3.858 1.00 0.00 O ATOM 824 OE2 GLU A 54 2.974 11.851 -1.757 1.00 0.00 O ATOM 0 H GLU A 54 -1.658 9.184 -3.087 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.721 11.582 -4.402 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.463 8.948 -3.554 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.356 10.061 -4.571 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.147 11.472 -2.308 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.117 10.125 -1.747 1.00 0.00 H new ATOM 831 N GLN A 55 -0.421 8.955 -6.287 1.00 0.00 N ATOM 832 CA GLN A 55 -0.390 8.465 -7.648 1.00 0.00 C ATOM 833 C GLN A 55 -0.040 6.982 -7.596 1.00 0.00 C ATOM 834 O GLN A 55 -0.908 6.197 -7.940 1.00 0.00 O ATOM 835 CB GLN A 55 0.617 9.252 -8.497 1.00 0.00 C ATOM 836 CG GLN A 55 -0.010 10.357 -9.369 1.00 0.00 C ATOM 837 CD GLN A 55 0.493 10.366 -10.812 1.00 0.00 C ATOM 838 OE1 GLN A 55 1.121 11.303 -11.291 1.00 0.00 O ATOM 839 NE2 GLN A 55 0.155 9.349 -11.583 1.00 0.00 N ATOM 0 H GLN A 55 0.005 8.309 -5.623 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.362 8.601 -8.122 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.356 9.704 -7.836 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.151 8.556 -9.143 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.093 10.233 -9.373 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.198 11.326 -8.916 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.368 8.565 -11.193 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.417 9.347 -12.569 1.00 0.00 H new ATOM 848 N PRO A 56 1.158 6.536 -7.155 1.00 0.00 N ATOM 849 CA PRO A 56 1.445 5.113 -7.105 1.00 0.00 C ATOM 850 C PRO A 56 0.668 4.471 -5.961 1.00 0.00 C ATOM 851 O PRO A 56 1.105 4.418 -4.807 1.00 0.00 O ATOM 852 CB PRO A 56 2.954 4.987 -7.018 1.00 0.00 C ATOM 853 CG PRO A 56 3.375 6.256 -6.300 1.00 0.00 C ATOM 854 CD PRO A 56 2.356 7.289 -6.785 1.00 0.00 C ATOM 0 HA PRO A 56 1.116 4.569 -7.990 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.251 4.096 -6.465 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.408 4.915 -8.006 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.342 6.136 -5.217 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.394 6.545 -6.557 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.134 8.014 -6.002 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.743 7.848 -7.637 1.00 0.00 H new ATOM 862 N TYR A 57 -0.531 4.023 -6.298 1.00 0.00 N ATOM 863 CA TYR A 57 -1.476 3.381 -5.404 1.00 0.00 C ATOM 864 C TYR A 57 -1.043 1.929 -5.230 1.00 0.00 C ATOM 865 O TYR A 57 -1.238 1.112 -6.133 1.00 0.00 O ATOM 866 CB TYR A 57 -2.893 3.467 -5.982 1.00 0.00 C ATOM 867 CG TYR A 57 -3.320 4.830 -6.488 1.00 0.00 C ATOM 868 CD1 TYR A 57 -3.124 5.968 -5.687 1.00 0.00 C ATOM 869 CD2 TYR A 57 -3.839 4.963 -7.792 1.00 0.00 C ATOM 870 CE1 TYR A 57 -3.399 7.239 -6.223 1.00 0.00 C ATOM 871 CE2 TYR A 57 -4.158 6.234 -8.308 1.00 0.00 C ATOM 872 CZ TYR A 57 -3.925 7.381 -7.519 1.00 0.00 C ATOM 873 OH TYR A 57 -4.196 8.633 -7.970 1.00 0.00 O ATOM 0 H TYR A 57 -0.887 4.102 -7.250 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.488 3.881 -4.435 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.973 2.755 -6.803 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.598 3.149 -5.214 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.767 5.868 -4.673 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -3.993 4.084 -8.400 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.203 8.120 -5.630 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.577 6.330 -9.299 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.914 9.026 -7.432 1.00 0.00 H new ATOM 883 N VAL A 58 -0.408 1.610 -4.101 1.00 0.00 N ATOM 884 CA VAL A 58 0.065 0.257 -3.843 1.00 0.00 C ATOM 885 C VAL A 58 -1.131 -0.608 -3.437 1.00 0.00 C ATOM 886 O VAL A 58 -1.487 -0.694 -2.266 1.00 0.00 O ATOM 887 CB VAL A 58 1.198 0.228 -2.806 1.00 0.00 C ATOM 888 CG1 VAL A 58 1.801 -1.181 -2.752 1.00 0.00 C ATOM 889 CG2 VAL A 58 2.308 1.224 -3.163 1.00 0.00 C ATOM 0 H VAL A 58 -0.211 2.274 -3.352 1.00 0.00 H new ATOM 0 HA VAL A 58 0.504 -0.154 -4.752 1.00 0.00 H new ATOM 0 HB VAL A 58 0.778 0.505 -1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.605 -1.205 -2.017 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.029 -1.896 -2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.198 -1.445 -3.732 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.094 1.178 -2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.725 0.970 -4.138 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.895 2.232 -3.196 1.00 0.00 H new ATOM 899 N PHE A 59 -1.822 -1.203 -4.399 1.00 0.00 N ATOM 900 CA PHE A 59 -2.982 -2.038 -4.138 1.00 0.00 C ATOM 901 C PHE A 59 -2.625 -3.457 -3.768 1.00 0.00 C ATOM 902 O PHE A 59 -1.503 -3.933 -3.955 1.00 0.00 O ATOM 903 CB PHE A 59 -3.852 -2.083 -5.387 1.00 0.00 C ATOM 904 CG PHE A 59 -4.351 -0.760 -5.878 1.00 0.00 C ATOM 905 CD1 PHE A 59 -4.991 0.135 -5.003 1.00 0.00 C ATOM 906 CD2 PHE A 59 -4.203 -0.460 -7.238 1.00 0.00 C ATOM 907 CE1 PHE A 59 -5.507 1.331 -5.521 1.00 0.00 C ATOM 908 CE2 PHE A 59 -4.741 0.729 -7.748 1.00 0.00 C ATOM 909 CZ PHE A 59 -5.402 1.621 -6.893 1.00 0.00 C ATOM 0 H PHE A 59 -1.590 -1.118 -5.389 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.503 -1.594 -3.290 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.283 -2.556 -6.187 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.711 -2.723 -5.186 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.083 -0.094 -3.952 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.677 -1.141 -7.890 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.990 2.036 -4.860 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.646 0.958 -8.799 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.830 2.531 -7.287 1.00 0.00 H new ATOM 919 N ILE A 60 -3.676 -4.158 -3.357 1.00 0.00 N ATOM 920 CA ILE A 60 -3.690 -5.588 -3.202 1.00 0.00 C ATOM 921 C ILE A 60 -4.883 -6.129 -3.968 1.00 0.00 C ATOM 922 O ILE A 60 -6.013 -5.682 -3.751 1.00 0.00 O ATOM 923 CB ILE A 60 -3.701 -5.953 -1.712 1.00 0.00 C ATOM 924 CG1 ILE A 60 -5.004 -5.583 -0.969 1.00 0.00 C ATOM 925 CG2 ILE A 60 -2.491 -5.316 -1.047 1.00 0.00 C ATOM 926 CD1 ILE A 60 -4.995 -5.841 0.535 1.00 0.00 C ATOM 0 H ILE A 60 -4.566 -3.721 -3.117 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.791 -6.047 -3.614 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.652 -7.040 -1.648 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.211 -4.526 -1.138 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.827 -6.144 -1.412 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.485 -5.567 0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.580 -5.691 -1.514 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.540 -4.233 -1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.955 -5.548 0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.824 -6.901 0.721 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.199 -5.258 0.999 1.00 0.00 H new ATOM 938 N LYS A 61 -4.646 -7.089 -4.860 1.00 0.00 N ATOM 939 CA LYS A 61 -5.713 -7.785 -5.575 1.00 0.00 C ATOM 940 C LYS A 61 -5.552 -9.290 -5.453 1.00 0.00 C ATOM 941 O LYS A 61 -4.447 -9.772 -5.216 1.00 0.00 O ATOM 942 CB LYS A 61 -5.874 -7.337 -7.033 1.00 0.00 C ATOM 943 CG LYS A 61 -4.567 -7.000 -7.713 1.00 0.00 C ATOM 944 CD LYS A 61 -4.599 -7.195 -9.233 1.00 0.00 C ATOM 945 CE LYS A 61 -3.142 -7.361 -9.638 1.00 0.00 C ATOM 946 NZ LYS A 61 -2.899 -7.938 -10.979 1.00 0.00 N ATOM 0 H LYS A 61 -3.709 -7.406 -5.107 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.646 -7.501 -5.089 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.372 -8.128 -7.594 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.526 -6.464 -7.066 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.309 -5.964 -7.493 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.777 -7.622 -7.292 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.187 -8.071 -9.506 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.052 -6.338 -9.732 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.660 -6.384 -9.593 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.651 -7.993 -8.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.876 -8.052 -11.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.364 -8.866 -11.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.286 -7.302 -11.706 1.00 0.00 H new ATOM 960 N ARG A 62 -6.661 -10.031 -5.538 1.00 0.00 N ATOM 961 CA ARG A 62 -6.760 -11.453 -5.180 1.00 0.00 C ATOM 962 C ARG A 62 -6.203 -12.431 -6.215 1.00 0.00 C ATOM 963 O ARG A 62 -6.876 -13.392 -6.604 1.00 0.00 O ATOM 964 CB ARG A 62 -8.175 -11.809 -4.721 1.00 0.00 C ATOM 965 CG ARG A 62 -9.214 -11.499 -5.795 1.00 0.00 C ATOM 966 CD ARG A 62 -10.458 -12.374 -5.690 1.00 0.00 C ATOM 967 NE ARG A 62 -10.326 -13.593 -6.503 1.00 0.00 N ATOM 968 CZ ARG A 62 -11.222 -14.584 -6.567 1.00 0.00 C ATOM 969 NH1 ARG A 62 -12.309 -14.564 -5.805 1.00 0.00 N ATOM 970 NH2 ARG A 62 -11.019 -15.582 -7.413 1.00 0.00 N ATOM 0 H ARG A 62 -7.546 -9.646 -5.869 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.086 -11.583 -4.333 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.219 -12.868 -4.467 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.413 -11.254 -3.814 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.506 -10.452 -5.719 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.764 -11.634 -6.778 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.627 -12.646 -4.648 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.331 -11.809 -6.017 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.480 -13.691 -7.065 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -12.467 -13.788 -5.163 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -12.986 -15.325 -5.862 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.188 -15.588 -8.005 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.693 -16.345 -7.473 1.00 0.00 H new ATOM 984 N SER A 63 -4.942 -12.231 -6.569 1.00 0.00 N ATOM 985 CA SER A 63 -4.175 -13.007 -7.527 1.00 0.00 C ATOM 986 C SER A 63 -4.920 -12.999 -8.871 1.00 0.00 C ATOM 987 O SER A 63 -4.823 -12.016 -9.610 1.00 0.00 O ATOM 988 CB SER A 63 -3.859 -14.381 -6.911 1.00 0.00 C ATOM 989 OG SER A 63 -2.912 -15.096 -7.664 1.00 0.00 O ATOM 0 H SER A 63 -4.393 -11.471 -6.167 1.00 0.00 H new ATOM 0 HA SER A 63 -3.198 -12.579 -7.752 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.486 -14.245 -5.896 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.777 -14.964 -6.837 1.00 0.00 H new ATOM 0 HG SER A 63 -2.740 -15.961 -7.237 1.00 0.00 H new ATOM 1116 N LYS A 73 -8.541 -16.273 1.291 1.00 0.00 N ATOM 1117 CA LYS A 73 -8.384 -14.989 0.612 1.00 0.00 C ATOM 1118 C LYS A 73 -6.902 -14.625 0.523 1.00 0.00 C ATOM 1119 O LYS A 73 -6.318 -14.074 1.462 1.00 0.00 O ATOM 1120 CB LYS A 73 -9.204 -13.863 1.244 1.00 0.00 C ATOM 1121 CG LYS A 73 -10.715 -14.136 1.290 1.00 0.00 C ATOM 1122 CD LYS A 73 -11.402 -12.826 1.684 1.00 0.00 C ATOM 1123 CE LYS A 73 -12.907 -12.914 1.925 1.00 0.00 C ATOM 1124 NZ LYS A 73 -13.657 -13.388 0.754 1.00 0.00 N ATOM 0 HA LYS A 73 -8.784 -15.106 -0.395 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.845 -13.693 2.259 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.029 -12.943 0.686 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.073 -14.481 0.320 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.942 -14.921 2.011 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.929 -12.447 2.590 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.221 -12.092 0.899 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.095 -13.584 2.764 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.280 -11.931 2.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.671 -13.425 0.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.505 -12.736 -0.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.326 -14.338 0.491 1.00 0.00 H new ATOM 1138 N VAL A 74 -6.290 -14.978 -0.598 1.00 0.00 N ATOM 1139 CA VAL A 74 -4.969 -14.544 -1.015 1.00 0.00 C ATOM 1140 C VAL A 74 -5.136 -13.200 -1.740 1.00 0.00 C ATOM 1141 O VAL A 74 -6.173 -12.955 -2.352 1.00 0.00 O ATOM 1142 CB VAL A 74 -4.379 -15.637 -1.937 1.00 0.00 C ATOM 1143 CG1 VAL A 74 -2.954 -15.294 -2.380 1.00 0.00 C ATOM 1144 CG2 VAL A 74 -4.342 -16.998 -1.219 1.00 0.00 C ATOM 0 H VAL A 74 -6.725 -15.606 -1.274 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.285 -14.404 -0.178 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.027 -15.689 -2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.573 -16.085 -3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.960 -14.351 -2.926 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.313 -15.202 -1.503 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.923 -17.751 -1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.723 -16.921 -0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.354 -17.287 -0.935 1.00 0.00 H new ATOM 1154 N VAL A 75 -4.098 -12.362 -1.719 1.00 0.00 N ATOM 1155 CA VAL A 75 -3.881 -11.230 -2.622 1.00 0.00 C ATOM 1156 C VAL A 75 -2.382 -11.115 -2.895 1.00 0.00 C ATOM 1157 O VAL A 75 -1.607 -11.899 -2.348 1.00 0.00 O ATOM 1158 CB VAL A 75 -4.449 -9.907 -2.072 1.00 0.00 C ATOM 1159 CG1 VAL A 75 -5.972 -9.886 -1.966 1.00 0.00 C ATOM 1160 CG2 VAL A 75 -3.863 -9.602 -0.698 1.00 0.00 C ATOM 0 H VAL A 75 -3.347 -12.460 -1.036 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.423 -11.417 -3.549 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.160 -9.146 -2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.296 -8.923 -1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.408 -10.039 -2.953 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.301 -10.681 -1.297 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.276 -8.664 -0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.114 -10.408 -0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.779 -9.516 -0.776 1.00 0.00 H new ATOM 1170 N GLU A 76 -1.935 -10.138 -3.674 1.00 0.00 N ATOM 1171 CA GLU A 76 -0.517 -9.871 -3.899 1.00 0.00 C ATOM 1172 C GLU A 76 -0.222 -8.386 -3.682 1.00 0.00 C ATOM 1173 O GLU A 76 -1.150 -7.629 -3.409 1.00 0.00 O ATOM 1174 CB GLU A 76 -0.127 -10.379 -5.291 1.00 0.00 C ATOM 1175 CG GLU A 76 -0.773 -9.602 -6.439 1.00 0.00 C ATOM 1176 CD GLU A 76 -0.384 -10.202 -7.789 1.00 0.00 C ATOM 1177 OE1 GLU A 76 0.666 -9.814 -8.345 1.00 0.00 O ATOM 1178 OE2 GLU A 76 -1.119 -11.088 -8.289 1.00 0.00 O ATOM 0 H GLU A 76 -2.554 -9.500 -4.174 1.00 0.00 H new ATOM 0 HA GLU A 76 0.099 -10.408 -3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.957 -10.327 -5.395 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.405 -11.430 -5.375 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.857 -9.617 -6.329 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.462 -8.558 -6.397 1.00 0.00 H new ATOM 1185 N LEU A 77 1.049 -7.978 -3.767 1.00 0.00 N ATOM 1186 CA LEU A 77 1.433 -6.571 -3.857 1.00 0.00 C ATOM 1187 C LEU A 77 1.245 -6.139 -5.304 1.00 0.00 C ATOM 1188 O LEU A 77 1.665 -6.871 -6.201 1.00 0.00 O ATOM 1189 CB LEU A 77 2.926 -6.383 -3.505 1.00 0.00 C ATOM 1190 CG LEU A 77 3.194 -5.833 -2.099 1.00 0.00 C ATOM 1191 CD1 LEU A 77 4.697 -5.902 -1.799 1.00 0.00 C ATOM 1192 CD2 LEU A 77 2.739 -4.377 -1.996 1.00 0.00 C ATOM 0 H LEU A 77 1.842 -8.620 -3.775 1.00 0.00 H new ATOM 0 HA LEU A 77 0.826 -5.988 -3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.432 -7.343 -3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.374 -5.708 -4.235 1.00 0.00 H new ATOM 0 HG LEU A 77 2.637 -6.435 -1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.887 -5.511 -0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.032 -6.938 -1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.242 -5.306 -2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.937 -4.004 -0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.284 -3.773 -2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.670 -4.314 -2.202 1.00 0.00 H new ATOM 1204 N VAL A 78 0.679 -4.961 -5.539 1.00 0.00 N ATOM 1205 CA VAL A 78 0.607 -4.337 -6.846 1.00 0.00 C ATOM 1206 C VAL A 78 0.859 -2.856 -6.607 1.00 0.00 C ATOM 1207 O VAL A 78 0.669 -2.375 -5.493 1.00 0.00 O ATOM 1208 CB VAL A 78 -0.778 -4.585 -7.480 1.00 0.00 C ATOM 1209 CG1 VAL A 78 -0.800 -4.375 -9.000 1.00 0.00 C ATOM 1210 CG2 VAL A 78 -1.282 -6.002 -7.221 1.00 0.00 C ATOM 0 H VAL A 78 0.247 -4.402 -4.803 1.00 0.00 H new ATOM 0 HA VAL A 78 1.339 -4.748 -7.541 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.423 -3.848 -7.001 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.804 -4.566 -9.379 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.515 -3.348 -9.230 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.097 -5.061 -9.472 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.260 -6.131 -7.685 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.581 -6.721 -7.645 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.366 -6.168 -6.147 1.00 0.00 H new ATOM 1220 N ALA A 79 1.232 -2.107 -7.635 1.00 0.00 N ATOM 1221 CA ALA A 79 1.183 -0.660 -7.611 1.00 0.00 C ATOM 1222 C ALA A 79 0.779 -0.177 -9.007 1.00 0.00 C ATOM 1223 O ALA A 79 0.892 -0.918 -9.991 1.00 0.00 O ATOM 1224 CB ALA A 79 2.514 -0.109 -7.085 1.00 0.00 C ATOM 0 H ALA A 79 1.579 -2.493 -8.513 1.00 0.00 H new ATOM 0 HA ALA A 79 0.431 -0.277 -6.921 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.475 0.980 -7.068 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.689 -0.482 -6.076 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.325 -0.433 -7.737 1.00 0.00 H new ATOM 1230 N GLU A 80 0.245 1.037 -9.092 1.00 0.00 N ATOM 1231 CA GLU A 80 -0.365 1.585 -10.292 1.00 0.00 C ATOM 1232 C GLU A 80 -0.333 3.099 -10.143 1.00 0.00 C ATOM 1233 O GLU A 80 -0.814 3.572 -9.119 1.00 0.00 O ATOM 1234 CB GLU A 80 -1.831 1.106 -10.353 1.00 0.00 C ATOM 1235 CG GLU A 80 -2.194 0.326 -11.616 1.00 0.00 C ATOM 1236 CD GLU A 80 -1.776 1.035 -12.902 1.00 0.00 C ATOM 1237 OE1 GLU A 80 -2.112 2.230 -13.075 1.00 0.00 O ATOM 1238 OE2 GLU A 80 -1.100 0.379 -13.722 1.00 0.00 O ATOM 0 H GLU A 80 0.226 1.683 -8.303 1.00 0.00 H new ATOM 0 HA GLU A 80 0.156 1.270 -11.196 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.031 0.478 -9.484 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.486 1.974 -10.277 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.719 -0.655 -11.579 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.271 0.158 -11.635 1.00 0.00 H new ATOM 1245 N MET A 81 0.222 3.849 -11.103 1.00 0.00 N ATOM 1246 CA MET A 81 0.325 5.302 -10.940 1.00 0.00 C ATOM 1247 C MET A 81 -1.001 6.038 -11.130 1.00 0.00 C ATOM 1248 O MET A 81 -1.142 7.146 -10.623 1.00 0.00 O ATOM 1249 CB MET A 81 1.385 5.923 -11.856 1.00 0.00 C ATOM 1250 CG MET A 81 1.130 5.774 -13.363 1.00 0.00 C ATOM 1251 SD MET A 81 1.506 7.268 -14.319 1.00 0.00 S ATOM 1252 CE MET A 81 3.205 7.580 -13.763 1.00 0.00 C ATOM 0 H MET A 81 0.597 3.485 -11.979 1.00 0.00 H new ATOM 0 HA MET A 81 0.632 5.432 -9.902 1.00 0.00 H new ATOM 0 HB2 MET A 81 1.464 6.985 -11.622 1.00 0.00 H new ATOM 0 HB3 MET A 81 2.350 5.473 -11.623 1.00 0.00 H new ATOM 0 HG2 MET A 81 1.732 4.949 -13.744 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.085 5.506 -13.521 1.00 0.00 H new ATOM 0 HE1 MET A 81 3.706 8.237 -14.474 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.185 8.055 -12.782 1.00 0.00 H new ATOM 0 HE3 MET A 81 3.746 6.636 -13.698 1.00 0.00 H new ATOM 1262 N ASP A 82 -1.952 5.488 -11.884 1.00 0.00 N ATOM 1263 CA ASP A 82 -3.225 6.171 -12.166 1.00 0.00 C ATOM 1264 C ASP A 82 -4.412 5.261 -11.847 1.00 0.00 C ATOM 1265 O ASP A 82 -5.577 5.595 -12.073 1.00 0.00 O ATOM 1266 CB ASP A 82 -3.227 6.643 -13.627 1.00 0.00 C ATOM 1267 CG ASP A 82 -4.259 7.731 -13.946 1.00 0.00 C ATOM 1268 OD1 ASP A 82 -4.805 8.418 -13.065 1.00 0.00 O ATOM 1269 OD2 ASP A 82 -4.423 8.027 -15.156 1.00 0.00 O ATOM 0 H ASP A 82 -1.869 4.567 -12.315 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.327 7.046 -11.524 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.234 7.019 -13.875 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.413 5.784 -14.272 1.00 0.00 H new ATOM 1274 N GLY A 83 -4.104 4.076 -11.316 1.00 0.00 N ATOM 1275 CA GLY A 83 -5.018 2.971 -11.157 1.00 0.00 C ATOM 1276 C GLY A 83 -5.724 2.662 -12.471 1.00 0.00 C ATOM 1277 O GLY A 83 -6.947 2.528 -12.481 1.00 0.00 O ATOM 0 H GLY A 83 -3.167 3.863 -10.974 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.475 2.090 -10.814 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.755 3.210 -10.390 1.00 0.00 H new ATOM 1281 N ILE A 84 -4.960 2.543 -13.566 1.00 0.00 N ATOM 1282 CA ILE A 84 -5.443 2.120 -14.881 1.00 0.00 C ATOM 1283 C ILE A 84 -6.313 0.879 -14.708 1.00 0.00 C ATOM 1284 O ILE A 84 -7.420 0.779 -15.250 1.00 0.00 O ATOM 1285 CB ILE A 84 -4.230 1.833 -15.804 1.00 0.00 C ATOM 1286 CG1 ILE A 84 -3.639 3.168 -16.297 1.00 0.00 C ATOM 1287 CG2 ILE A 84 -4.609 0.880 -16.958 1.00 0.00 C ATOM 1288 CD1 ILE A 84 -2.346 3.016 -17.103 1.00 0.00 C ATOM 0 H ILE A 84 -3.960 2.745 -13.557 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.042 2.905 -15.342 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.458 1.312 -15.238 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.381 3.677 -16.912 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.445 3.808 -15.436 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.735 0.701 -17.584 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.961 -0.066 -16.548 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.399 1.331 -17.558 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.993 3.999 -17.414 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.587 2.537 -16.485 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.537 2.404 -17.984 1.00 0.00 H new ATOM 1300 N GLN A 85 -5.781 -0.091 -13.977 1.00 0.00 N ATOM 1301 CA GLN A 85 -6.505 -1.255 -13.550 1.00 0.00 C ATOM 1302 C GLN A 85 -6.462 -1.280 -12.036 1.00 0.00 C ATOM 1303 O GLN A 85 -5.747 -0.512 -11.386 1.00 0.00 O ATOM 1304 CB GLN A 85 -5.914 -2.533 -14.161 1.00 0.00 C ATOM 1305 CG GLN A 85 -5.885 -2.540 -15.694 1.00 0.00 C ATOM 1306 CD GLN A 85 -6.098 -3.943 -16.242 1.00 0.00 C ATOM 1307 OE1 GLN A 85 -5.361 -4.875 -15.924 1.00 0.00 O ATOM 1308 NE2 GLN A 85 -7.107 -4.132 -17.069 1.00 0.00 N ATOM 0 H GLN A 85 -4.811 -0.079 -13.663 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.539 -1.212 -13.892 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -4.898 -2.664 -13.789 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.493 -3.389 -13.816 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.659 -1.875 -16.078 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.929 -2.151 -16.044 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.710 -3.350 -17.324 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.284 -5.060 -17.454 1.00 0.00 H new ATOM 1317 N TYR A 86 -7.225 -2.221 -11.504 1.00 0.00 N ATOM 1318 CA TYR A 86 -7.260 -2.669 -10.116 1.00 0.00 C ATOM 1319 C TYR A 86 -7.934 -1.639 -9.202 1.00 0.00 C ATOM 1320 O TYR A 86 -8.765 -2.032 -8.386 1.00 0.00 O ATOM 1321 CB TYR A 86 -5.858 -3.068 -9.609 1.00 0.00 C ATOM 1322 CG TYR A 86 -4.904 -3.626 -10.660 1.00 0.00 C ATOM 1323 CD1 TYR A 86 -5.306 -4.668 -11.519 1.00 0.00 C ATOM 1324 CD2 TYR A 86 -3.634 -3.041 -10.834 1.00 0.00 C ATOM 1325 CE1 TYR A 86 -4.435 -5.153 -12.509 1.00 0.00 C ATOM 1326 CE2 TYR A 86 -2.762 -3.514 -11.827 1.00 0.00 C ATOM 1327 CZ TYR A 86 -3.152 -4.586 -12.659 1.00 0.00 C ATOM 1328 OH TYR A 86 -2.306 -5.091 -13.598 1.00 0.00 O ATOM 0 H TYR A 86 -7.893 -2.736 -12.078 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.875 -3.568 -10.083 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.395 -2.193 -9.154 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.976 -3.812 -8.821 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -6.292 -5.097 -11.416 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.329 -2.223 -10.199 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -4.748 -5.960 -13.155 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.792 -3.057 -11.955 1.00 0.00 H new ATOM 0 HH TYR A 86 -1.462 -4.593 -13.579 1.00 0.00 H new ATOM 1338 N GLY A 87 -7.646 -0.345 -9.359 1.00 0.00 N ATOM 1339 CA GLY A 87 -8.377 0.744 -8.735 1.00 0.00 C ATOM 1340 C GLY A 87 -9.874 0.498 -8.875 1.00 0.00 C ATOM 1341 O GLY A 87 -10.348 0.179 -9.970 1.00 0.00 O ATOM 0 H GLY A 87 -6.874 -0.024 -9.942 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.107 0.820 -7.682 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.108 1.691 -9.202 1.00 0.00 H new ATOM 1345 N ARG A 88 -10.601 0.591 -7.758 1.00 0.00 N ATOM 1346 CA ARG A 88 -12.051 0.428 -7.660 1.00 0.00 C ATOM 1347 C ARG A 88 -12.596 -0.928 -8.140 1.00 0.00 C ATOM 1348 O ARG A 88 -13.816 -1.102 -8.163 1.00 0.00 O ATOM 1349 CB ARG A 88 -12.699 1.637 -8.363 1.00 0.00 C ATOM 1350 CG ARG A 88 -14.144 1.918 -7.936 1.00 0.00 C ATOM 1351 CD ARG A 88 -14.460 3.418 -8.008 1.00 0.00 C ATOM 1352 NE ARG A 88 -15.887 3.658 -8.284 1.00 0.00 N ATOM 1353 CZ ARG A 88 -16.404 3.772 -9.515 1.00 0.00 C ATOM 1354 NH1 ARG A 88 -15.652 3.618 -10.598 1.00 0.00 N ATOM 1355 NH2 ARG A 88 -17.689 4.039 -9.688 1.00 0.00 N ATOM 0 H ARG A 88 -10.172 0.792 -6.855 1.00 0.00 H new ATOM 0 HA ARG A 88 -12.325 0.410 -6.605 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.096 2.523 -8.165 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -12.677 1.470 -9.440 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.830 1.367 -8.580 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -14.302 1.558 -6.919 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.186 3.894 -7.067 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.855 3.881 -8.787 1.00 0.00 H new ATOM 0 HE ARG A 88 -16.521 3.743 -7.489 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -14.658 3.408 -10.503 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.068 3.709 -11.525 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -18.298 4.161 -8.879 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -18.070 4.123 -10.630 1.00 0.00 H new ATOM 1369 N SER A 89 -11.754 -1.897 -8.497 1.00 0.00 N ATOM 1370 CA SER A 89 -12.208 -3.223 -8.886 1.00 0.00 C ATOM 1371 C SER A 89 -12.509 -4.050 -7.635 1.00 0.00 C ATOM 1372 O SER A 89 -11.833 -3.904 -6.618 1.00 0.00 O ATOM 1373 CB SER A 89 -11.125 -3.889 -9.735 1.00 0.00 C ATOM 1374 OG SER A 89 -11.645 -5.045 -10.358 1.00 0.00 O ATOM 0 H SER A 89 -10.741 -1.781 -8.523 1.00 0.00 H new ATOM 0 HA SER A 89 -13.123 -3.151 -9.474 1.00 0.00 H new ATOM 0 HB2 SER A 89 -10.762 -3.191 -10.489 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.273 -4.155 -9.110 1.00 0.00 H new ATOM 0 HG SER A 89 -11.004 -5.375 -11.022 1.00 0.00 H new ATOM 1380 N GLY A 90 -13.459 -4.983 -7.728 1.00 0.00 N ATOM 1381 CA GLY A 90 -13.786 -5.913 -6.649 1.00 0.00 C ATOM 1382 C GLY A 90 -12.760 -7.038 -6.488 1.00 0.00 C ATOM 1383 O GLY A 90 -12.796 -7.761 -5.488 1.00 0.00 O ATOM 0 H GLY A 90 -14.028 -5.114 -8.564 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -13.859 -5.361 -5.712 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -14.767 -6.349 -6.839 1.00 0.00 H new ATOM 1387 N ILE A 91 -11.826 -7.194 -7.434 1.00 0.00 N ATOM 1388 CA ILE A 91 -10.638 -8.019 -7.226 1.00 0.00 C ATOM 1389 C ILE A 91 -9.747 -7.404 -6.137 1.00 0.00 C ATOM 1390 O ILE A 91 -8.940 -8.113 -5.528 1.00 0.00 O ATOM 1391 CB ILE A 91 -9.892 -8.205 -8.568 1.00 0.00 C ATOM 1392 CG1 ILE A 91 -8.914 -9.381 -8.512 1.00 0.00 C ATOM 1393 CG2 ILE A 91 -9.182 -6.934 -9.045 1.00 0.00 C ATOM 1394 CD1 ILE A 91 -8.131 -9.685 -9.796 1.00 0.00 C ATOM 0 H ILE A 91 -11.874 -6.756 -8.354 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.930 -9.008 -6.874 1.00 0.00 H new ATOM 0 HB ILE A 91 -10.663 -8.431 -9.305 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.197 -9.190 -7.713 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -9.472 -10.275 -8.233 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.678 -7.132 -9.991 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.914 -6.138 -9.183 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -8.448 -6.626 -8.301 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -7.474 -10.538 -9.628 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.828 -9.917 -10.601 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -7.534 -8.816 -10.073 1.00 0.00 H new ATOM 1406 N THR A 92 -9.879 -6.102 -5.888 1.00 0.00 N ATOM 1407 CA THR A 92 -8.942 -5.341 -5.096 1.00 0.00 C ATOM 1408 C THR A 92 -9.543 -5.126 -3.708 1.00 0.00 C ATOM 1409 O THR A 92 -10.753 -4.908 -3.577 1.00 0.00 O ATOM 1410 CB THR A 92 -8.635 -4.025 -5.825 1.00 0.00 C ATOM 1411 OG1 THR A 92 -8.383 -4.299 -7.187 1.00 0.00 O ATOM 1412 CG2 THR A 92 -7.400 -3.305 -5.289 1.00 0.00 C ATOM 0 H THR A 92 -10.657 -5.546 -6.242 1.00 0.00 H new ATOM 0 HA THR A 92 -7.997 -5.869 -4.967 1.00 0.00 H new ATOM 0 HB THR A 92 -9.504 -3.385 -5.672 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.719 -3.561 -7.737 1.00 0.00 H new ATOM 0 HG21 THR A 92 -7.244 -2.384 -5.850 1.00 0.00 H new ATOM 0 HG22 THR A 92 -7.546 -3.067 -4.235 1.00 0.00 H new ATOM 0 HG23 THR A 92 -6.527 -3.949 -5.398 1.00 0.00 H new ATOM 1420 N LEU A 93 -8.723 -5.190 -2.656 1.00 0.00 N ATOM 1421 CA LEU A 93 -9.224 -5.144 -1.277 1.00 0.00 C ATOM 1422 C LEU A 93 -8.850 -3.856 -0.560 1.00 0.00 C ATOM 1423 O LEU A 93 -9.559 -3.466 0.364 1.00 0.00 O ATOM 1424 CB LEU A 93 -8.772 -6.354 -0.461 1.00 0.00 C ATOM 1425 CG LEU A 93 -9.033 -7.703 -1.147 1.00 0.00 C ATOM 1426 CD1 LEU A 93 -8.507 -8.793 -0.226 1.00 0.00 C ATOM 1427 CD2 LEU A 93 -10.514 -7.951 -1.445 1.00 0.00 C ATOM 0 H LEU A 93 -7.709 -5.274 -2.731 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.311 -5.173 -1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.705 -6.263 -0.256 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.284 -6.342 0.501 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.525 -7.703 -2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -8.676 -9.768 -0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.439 -8.648 -0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.029 -8.745 0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.630 -8.920 -1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.079 -7.941 -0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.888 -7.168 -2.105 1.00 0.00 H new ATOM 1439 N GLY A 94 -7.794 -3.168 -0.992 1.00 0.00 N ATOM 1440 CA GLY A 94 -7.447 -1.855 -0.449 1.00 0.00 C ATOM 1441 C GLY A 94 -6.151 -1.340 -1.054 1.00 0.00 C ATOM 1442 O GLY A 94 -5.588 -1.979 -1.950 1.00 0.00 O ATOM 0 H GLY A 94 -7.161 -3.500 -1.720 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.253 -1.149 -0.652 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.346 -1.921 0.634 1.00 0.00 H new ATOM 1446 N VAL A 95 -5.697 -0.185 -0.569 1.00 0.00 N ATOM 1447 CA VAL A 95 -4.354 0.342 -0.799 1.00 0.00 C ATOM 1448 C VAL A 95 -3.568 0.086 0.468 1.00 0.00 C ATOM 1449 O VAL A 95 -4.116 0.184 1.562 1.00 0.00 O ATOM 1450 CB VAL A 95 -4.395 1.862 -1.109 1.00 0.00 C ATOM 1451 CG1 VAL A 95 -3.009 2.447 -1.435 1.00 0.00 C ATOM 1452 CG2 VAL A 95 -5.279 2.237 -2.286 1.00 0.00 C ATOM 0 H VAL A 95 -6.271 0.427 0.011 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.893 -0.144 -1.659 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.800 2.276 -0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.104 3.513 -1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.343 2.301 -0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.597 1.942 -2.309 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.250 3.317 -2.433 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.918 1.738 -3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.304 1.925 -2.085 1.00 0.00 H new ATOM 1462 N LEU A 96 -2.298 -0.243 0.314 1.00 0.00 N ATOM 1463 CA LEU A 96 -1.334 -0.372 1.374 1.00 0.00 C ATOM 1464 C LEU A 96 -0.674 0.979 1.569 1.00 0.00 C ATOM 1465 O LEU A 96 -0.291 1.650 0.609 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.289 -1.408 0.975 1.00 0.00 C ATOM 1467 CG LEU A 96 -0.840 -2.836 0.934 1.00 0.00 C ATOM 1468 CD1 LEU A 96 0.157 -3.740 0.205 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -1.115 -3.431 2.314 1.00 0.00 C ATOM 0 H LEU A 96 -1.898 -0.436 -0.604 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.813 -0.692 2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.111 -1.152 -0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.542 -1.366 1.679 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.796 -2.781 0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.231 -4.758 0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.303 -3.375 -0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.110 -3.731 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.503 -4.444 2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.190 -3.458 2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.849 -2.816 2.836 1.00 0.00 H new ATOM 1481 N VAL A 97 -0.551 1.367 2.825 1.00 0.00 N ATOM 1482 CA VAL A 97 -0.115 2.687 3.262 1.00 0.00 C ATOM 1483 C VAL A 97 0.814 2.522 4.474 1.00 0.00 C ATOM 1484 O VAL A 97 0.771 1.466 5.119 1.00 0.00 O ATOM 1485 CB VAL A 97 -1.362 3.547 3.568 1.00 0.00 C ATOM 1486 CG1 VAL A 97 -2.162 3.851 2.284 1.00 0.00 C ATOM 1487 CG2 VAL A 97 -2.304 2.882 4.587 1.00 0.00 C ATOM 0 H VAL A 97 -0.761 0.745 3.606 1.00 0.00 H new ATOM 0 HA VAL A 97 0.451 3.203 2.486 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.983 4.474 3.999 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.033 4.457 2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.530 4.395 1.582 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.489 2.916 1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.163 3.529 4.765 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.646 1.924 4.195 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.771 2.721 5.524 1.00 0.00 H new ATOM 1497 N PRO A 98 1.686 3.494 4.789 1.00 0.00 N ATOM 1498 CA PRO A 98 2.556 3.402 5.953 1.00 0.00 C ATOM 1499 C PRO A 98 1.751 3.564 7.248 1.00 0.00 C ATOM 1500 O PRO A 98 1.034 4.549 7.416 1.00 0.00 O ATOM 1501 CB PRO A 98 3.636 4.468 5.765 1.00 0.00 C ATOM 1502 CG PRO A 98 3.128 5.409 4.670 1.00 0.00 C ATOM 1503 CD PRO A 98 1.990 4.665 3.975 1.00 0.00 C ATOM 0 HA PRO A 98 3.027 2.423 6.041 1.00 0.00 H new ATOM 0 HB2 PRO A 98 3.811 5.011 6.694 1.00 0.00 H new ATOM 0 HB3 PRO A 98 4.584 4.014 5.478 1.00 0.00 H new ATOM 0 HG2 PRO A 98 2.778 6.350 5.095 1.00 0.00 H new ATOM 0 HG3 PRO A 98 3.923 5.654 3.965 1.00 0.00 H new ATOM 0 HD2 PRO A 98 1.113 5.305 3.878 1.00 0.00 H new ATOM 0 HD3 PRO A 98 2.282 4.369 2.967 1.00 0.00 H new ATOM 1511 N HIS A 99 1.843 2.593 8.166 1.00 0.00 N ATOM 1512 CA HIS A 99 1.252 2.669 9.495 1.00 0.00 C ATOM 1513 C HIS A 99 2.309 3.264 10.421 1.00 0.00 C ATOM 1514 O HIS A 99 3.223 2.559 10.847 1.00 0.00 O ATOM 1515 CB HIS A 99 0.810 1.270 9.959 1.00 0.00 C ATOM 1516 CG HIS A 99 0.647 1.126 11.450 1.00 0.00 C ATOM 1517 ND1 HIS A 99 1.357 0.258 12.251 1.00 0.00 N ATOM 1518 CD2 HIS A 99 -0.098 1.926 12.270 1.00 0.00 C ATOM 1519 CE1 HIS A 99 1.052 0.523 13.528 1.00 0.00 C ATOM 1520 NE2 HIS A 99 0.164 1.529 13.589 1.00 0.00 N ATOM 0 H HIS A 99 2.341 1.719 7.996 1.00 0.00 H new ATOM 0 HA HIS A 99 0.361 3.297 9.500 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -0.137 1.024 9.478 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.542 0.539 9.614 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -0.765 2.717 11.960 1.00 0.00 H new ATOM 0 HE1 HIS A 99 1.460 0.004 14.383 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -0.243 1.929 14.435 1.00 0.00 H new ATOM 1528 N VAL A 100 2.183 4.546 10.756 1.00 0.00 N ATOM 1529 CA VAL A 100 3.131 5.226 11.639 1.00 0.00 C ATOM 1530 C VAL A 100 2.510 5.447 13.025 1.00 0.00 C ATOM 1531 O VAL A 100 2.763 6.456 13.677 1.00 0.00 O ATOM 1532 CB VAL A 100 3.644 6.510 10.949 1.00 0.00 C ATOM 1533 CG1 VAL A 100 4.467 6.157 9.698 1.00 0.00 C ATOM 1534 CG2 VAL A 100 2.493 7.440 10.543 1.00 0.00 C ATOM 0 H VAL A 100 1.424 5.142 10.425 1.00 0.00 H new ATOM 0 HA VAL A 100 4.009 4.605 11.818 1.00 0.00 H new ATOM 0 HB VAL A 100 4.271 7.031 11.673 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.820 7.073 9.225 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.321 5.544 9.986 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.843 5.603 8.996 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.897 8.330 10.062 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.833 6.920 9.849 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.930 7.731 11.430 1.00 0.00 H new ATOM 1544 N GLY A 101 1.750 4.464 13.525 1.00 0.00 N ATOM 1545 CA GLY A 101 1.183 4.517 14.868 1.00 0.00 C ATOM 1546 C GLY A 101 -0.133 5.296 14.969 1.00 0.00 C ATOM 1547 O GLY A 101 -0.543 5.574 16.097 1.00 0.00 O ATOM 0 H GLY A 101 1.515 3.616 13.009 1.00 0.00 H new ATOM 0 HA2 GLY A 101 1.016 3.499 15.219 1.00 0.00 H new ATOM 0 HA3 GLY A 101 1.912 4.971 15.539 1.00 0.00 H new ATOM 1551 N GLU A 102 -0.745 5.638 13.825 1.00 0.00 N ATOM 1552 CA GLU A 102 -1.814 6.622 13.627 1.00 0.00 C ATOM 1553 C GLU A 102 -3.123 6.210 14.323 1.00 0.00 C ATOM 1554 O GLU A 102 -3.198 6.344 15.539 1.00 0.00 O ATOM 1555 CB GLU A 102 -1.923 6.849 12.098 1.00 0.00 C ATOM 1556 CG GLU A 102 -2.442 8.234 11.685 1.00 0.00 C ATOM 1557 CD GLU A 102 -1.347 9.307 11.700 1.00 0.00 C ATOM 1558 OE1 GLU A 102 -0.459 9.309 10.809 1.00 0.00 O ATOM 1559 OE2 GLU A 102 -1.383 10.160 12.615 1.00 0.00 O ATOM 0 H GLU A 102 -0.482 5.196 12.944 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.583 7.573 14.107 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.940 6.698 11.652 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.583 6.090 11.679 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.871 8.173 10.685 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.245 8.532 12.359 1.00 0.00 H new ATOM 1566 N THR A 103 -4.151 5.671 13.655 1.00 0.00 N ATOM 1567 CA THR A 103 -5.438 5.312 14.275 1.00 0.00 C ATOM 1568 C THR A 103 -6.212 4.398 13.312 1.00 0.00 C ATOM 1569 O THR A 103 -6.698 4.888 12.296 1.00 0.00 O ATOM 1570 CB THR A 103 -6.258 6.586 14.601 1.00 0.00 C ATOM 1571 OG1 THR A 103 -5.639 7.373 15.601 1.00 0.00 O ATOM 1572 CG2 THR A 103 -7.623 6.243 15.184 1.00 0.00 C ATOM 0 H THR A 103 -4.114 5.468 12.656 1.00 0.00 H new ATOM 0 HA THR A 103 -5.260 4.785 15.212 1.00 0.00 H new ATOM 0 HB THR A 103 -6.334 7.116 13.652 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.853 6.902 15.948 1.00 0.00 H new ATOM 0 HG21 THR A 103 -8.168 7.162 15.400 1.00 0.00 H new ATOM 0 HG22 THR A 103 -8.186 5.647 14.466 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.493 5.674 16.105 1.00 0.00 H new ATOM 1580 N PRO A 104 -6.305 3.083 13.575 1.00 0.00 N ATOM 1581 CA PRO A 104 -7.049 2.168 12.728 1.00 0.00 C ATOM 1582 C PRO A 104 -8.496 1.993 13.166 1.00 0.00 C ATOM 1583 O PRO A 104 -8.843 2.142 14.341 1.00 0.00 O ATOM 1584 CB PRO A 104 -6.302 0.850 12.839 1.00 0.00 C ATOM 1585 CG PRO A 104 -5.691 0.882 14.242 1.00 0.00 C ATOM 1586 CD PRO A 104 -5.702 2.348 14.673 1.00 0.00 C ATOM 0 HA PRO A 104 -7.107 2.549 11.708 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -6.973 0.000 12.716 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -5.533 0.762 12.072 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.268 0.268 14.933 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.676 0.485 14.235 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.273 2.480 15.592 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.691 2.704 14.872 1.00 0.00 H new ATOM 1594 N ILE A 105 -9.311 1.561 12.209 1.00 0.00 N ATOM 1595 CA ILE A 105 -10.719 1.244 12.400 1.00 0.00 C ATOM 1596 C ILE A 105 -10.978 -0.263 12.332 1.00 0.00 C ATOM 1597 O ILE A 105 -12.040 -0.719 12.754 1.00 0.00 O ATOM 1598 CB ILE A 105 -11.576 1.989 11.357 1.00 0.00 C ATOM 1599 CG1 ILE A 105 -11.257 1.601 9.888 1.00 0.00 C ATOM 1600 CG2 ILE A 105 -11.528 3.509 11.596 1.00 0.00 C ATOM 1601 CD1 ILE A 105 -10.182 2.431 9.185 1.00 0.00 C ATOM 0 H ILE A 105 -8.998 1.418 11.249 1.00 0.00 H new ATOM 0 HA ILE A 105 -11.003 1.576 13.399 1.00 0.00 H new ATOM 0 HB ILE A 105 -12.604 1.659 11.506 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -10.948 0.556 9.870 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -12.177 1.672 9.308 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.140 4.014 10.849 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -11.912 3.733 12.591 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -10.498 3.857 11.518 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.048 2.066 8.167 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -10.489 3.476 9.158 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -9.241 2.343 9.728 1.00 0.00 H new ATOM 1613 N ALA A 106 -10.054 -1.041 11.761 1.00 0.00 N ATOM 1614 CA ALA A 106 -10.220 -2.470 11.530 1.00 0.00 C ATOM 1615 C ALA A 106 -8.867 -3.096 11.226 1.00 0.00 C ATOM 1616 O ALA A 106 -7.864 -2.388 11.133 1.00 0.00 O ATOM 1617 CB ALA A 106 -11.175 -2.697 10.345 1.00 0.00 C ATOM 0 H ALA A 106 -9.154 -0.683 11.442 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.641 -2.934 12.422 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.297 -3.767 10.175 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -12.145 -2.253 10.569 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -10.761 -2.233 9.450 1.00 0.00 H new ATOM 1623 N TYR A 107 -8.854 -4.414 11.012 1.00 0.00 N ATOM 1624 CA TYR A 107 -7.737 -5.162 10.458 1.00 0.00 C ATOM 1625 C TYR A 107 -8.232 -5.969 9.255 1.00 0.00 C ATOM 1626 O TYR A 107 -9.424 -6.280 9.138 1.00 0.00 O ATOM 1627 CB TYR A 107 -7.089 -6.053 11.532 1.00 0.00 C ATOM 1628 CG TYR A 107 -6.038 -5.351 12.373 1.00 0.00 C ATOM 1629 CD1 TYR A 107 -6.396 -4.263 13.195 1.00 0.00 C ATOM 1630 CD2 TYR A 107 -4.687 -5.748 12.287 1.00 0.00 C ATOM 1631 CE1 TYR A 107 -5.401 -3.528 13.857 1.00 0.00 C ATOM 1632 CE2 TYR A 107 -3.691 -5.020 12.960 1.00 0.00 C ATOM 1633 CZ TYR A 107 -4.047 -3.898 13.734 1.00 0.00 C ATOM 1634 OH TYR A 107 -3.094 -3.160 14.359 1.00 0.00 O ATOM 0 H TYR A 107 -9.655 -5.007 11.230 1.00 0.00 H new ATOM 0 HA TYR A 107 -6.961 -4.477 10.118 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.869 -6.435 12.190 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -6.632 -6.915 11.046 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.435 -3.995 13.315 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -4.417 -6.615 11.702 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.674 -2.676 14.463 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.656 -5.320 12.884 1.00 0.00 H new ATOM 0 HH TYR A 107 -2.211 -3.545 14.178 1.00 0.00 H new ATOM 1644 N ARG A 108 -7.309 -6.302 8.355 1.00 0.00 N ATOM 1645 CA ARG A 108 -7.505 -7.064 7.130 1.00 0.00 C ATOM 1646 C ARG A 108 -6.338 -8.036 7.030 1.00 0.00 C ATOM 1647 O ARG A 108 -5.192 -7.673 7.309 1.00 0.00 O ATOM 1648 CB ARG A 108 -7.565 -6.108 5.931 1.00 0.00 C ATOM 1649 CG ARG A 108 -8.979 -5.535 5.727 1.00 0.00 C ATOM 1650 CD ARG A 108 -9.825 -6.391 4.784 1.00 0.00 C ATOM 1651 NE ARG A 108 -11.164 -5.810 4.575 1.00 0.00 N ATOM 1652 CZ ARG A 108 -12.203 -5.894 5.412 1.00 0.00 C ATOM 1653 NH1 ARG A 108 -12.108 -6.574 6.553 1.00 0.00 N ATOM 1654 NH2 ARG A 108 -13.354 -5.311 5.116 1.00 0.00 N ATOM 0 H ARG A 108 -6.335 -6.025 8.474 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.444 -7.617 7.136 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -6.860 -5.291 6.082 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.253 -6.635 5.030 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.480 -5.459 6.692 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -8.904 -4.524 5.327 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.316 -6.487 3.825 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.924 -7.396 5.195 1.00 0.00 H new ATOM 0 HE ARG A 108 -11.312 -5.294 3.708 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -11.234 -7.039 6.798 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -12.909 -6.629 7.182 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -13.453 -4.792 4.243 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -14.141 -5.380 5.761 1.00 0.00 H new ATOM 1668 N ASN A 109 -6.614 -9.288 6.679 1.00 0.00 N ATOM 1669 CA ASN A 109 -5.644 -10.351 6.572 1.00 0.00 C ATOM 1670 C ASN A 109 -5.626 -10.915 5.167 1.00 0.00 C ATOM 1671 O ASN A 109 -6.623 -10.874 4.440 1.00 0.00 O ATOM 1672 CB ASN A 109 -5.922 -11.464 7.582 1.00 0.00 C ATOM 1673 CG ASN A 109 -7.352 -11.974 7.706 1.00 0.00 C ATOM 1674 OD1 ASN A 109 -8.266 -11.581 6.984 1.00 0.00 O ATOM 1675 ND2 ASN A 109 -7.559 -12.862 8.658 1.00 0.00 N ATOM 0 H ASN A 109 -7.561 -9.593 6.454 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.665 -9.928 6.796 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -5.286 -12.312 7.329 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.607 -11.111 8.564 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -8.495 -13.239 8.809 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -6.784 -13.172 9.244 1.00 0.00 H new ATOM 1682 N VAL A 110 -4.470 -11.467 4.813 1.00 0.00 N ATOM 1683 CA VAL A 110 -4.107 -11.929 3.488 1.00 0.00 C ATOM 1684 C VAL A 110 -3.179 -13.137 3.636 1.00 0.00 C ATOM 1685 O VAL A 110 -2.812 -13.538 4.747 1.00 0.00 O ATOM 1686 CB VAL A 110 -3.411 -10.781 2.716 1.00 0.00 C ATOM 1687 CG1 VAL A 110 -4.321 -9.553 2.565 1.00 0.00 C ATOM 1688 CG2 VAL A 110 -2.071 -10.343 3.323 1.00 0.00 C ATOM 0 H VAL A 110 -3.719 -11.610 5.489 1.00 0.00 H new ATOM 0 HA VAL A 110 -4.992 -12.226 2.925 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.203 -11.205 1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.792 -8.773 2.018 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -5.222 -9.833 2.018 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -4.596 -9.181 3.552 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -1.647 -9.536 2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -2.230 -9.994 4.343 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -1.382 -11.188 3.332 1.00 0.00 H new ATOM 1698 N LEU A 111 -2.761 -13.711 2.514 1.00 0.00 N ATOM 1699 CA LEU A 111 -1.538 -14.489 2.412 1.00 0.00 C ATOM 1700 C LEU A 111 -0.558 -13.675 1.557 1.00 0.00 C ATOM 1701 O LEU A 111 -0.977 -12.789 0.806 1.00 0.00 O ATOM 1702 CB LEU A 111 -1.861 -15.812 1.702 1.00 0.00 C ATOM 1703 CG LEU A 111 -2.571 -16.970 2.419 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -1.689 -17.759 3.382 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -3.891 -16.576 3.086 1.00 0.00 C ATOM 0 H LEU A 111 -3.274 -13.646 1.635 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.111 -14.700 3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.469 -15.561 0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -0.916 -16.206 1.328 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.814 -17.645 1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -2.274 -18.556 3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.851 -18.193 2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -1.311 -17.093 4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.329 -17.449 3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.705 -15.803 3.832 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.580 -16.195 2.332 1.00 0.00 H new ATOM 1717 N LEU A 112 0.725 -14.024 1.582 1.00 0.00 N ATOM 1718 CA LEU A 112 1.837 -13.383 0.887 1.00 0.00 C ATOM 1719 C LEU A 112 2.658 -14.482 0.212 1.00 0.00 C ATOM 1720 O LEU A 112 3.120 -15.415 0.869 1.00 0.00 O ATOM 1721 CB LEU A 112 2.677 -12.571 1.890 1.00 0.00 C ATOM 1722 CG LEU A 112 3.739 -11.596 1.308 1.00 0.00 C ATOM 1723 CD1 LEU A 112 5.152 -12.100 1.609 1.00 0.00 C ATOM 1724 CD2 LEU A 112 3.664 -11.279 -0.196 1.00 0.00 C ATOM 0 H LEU A 112 1.038 -14.824 2.131 1.00 0.00 H new ATOM 0 HA LEU A 112 1.482 -12.685 0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.993 -11.993 2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.189 -13.274 2.547 1.00 0.00 H new ATOM 0 HG LEU A 112 3.500 -10.661 1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.882 -11.405 1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.291 -12.171 2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.291 -13.083 1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.464 -10.588 -0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.775 -12.200 -0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.700 -10.824 -0.424 1.00 0.00 H new ATOM 1736 N ARG A 113 2.768 -14.398 -1.112 1.00 0.00 N ATOM 1737 CA ARG A 113 3.459 -15.335 -1.988 1.00 0.00 C ATOM 1738 C ARG A 113 4.851 -15.653 -1.453 1.00 0.00 C ATOM 1739 O ARG A 113 5.633 -14.747 -1.139 1.00 0.00 O ATOM 1740 CB ARG A 113 3.522 -14.749 -3.408 1.00 0.00 C ATOM 1741 CG ARG A 113 2.129 -14.661 -4.050 1.00 0.00 C ATOM 1742 CD ARG A 113 1.792 -13.286 -4.629 1.00 0.00 C ATOM 1743 NE ARG A 113 2.213 -13.145 -6.032 1.00 0.00 N ATOM 1744 CZ ARG A 113 1.418 -13.094 -7.109 1.00 0.00 C ATOM 1745 NH1 ARG A 113 0.133 -13.434 -7.044 1.00 0.00 N ATOM 1746 NH2 ARG A 113 1.930 -12.693 -8.263 1.00 0.00 N ATOM 0 H ARG A 113 2.351 -13.626 -1.631 1.00 0.00 H new ATOM 0 HA ARG A 113 2.907 -16.274 -2.021 1.00 0.00 H new ATOM 0 HB2 ARG A 113 3.969 -13.756 -3.372 1.00 0.00 H new ATOM 0 HB3 ARG A 113 4.170 -15.368 -4.028 1.00 0.00 H new ATOM 0 HG2 ARG A 113 2.060 -15.404 -4.844 1.00 0.00 H new ATOM 0 HG3 ARG A 113 1.380 -14.922 -3.303 1.00 0.00 H new ATOM 0 HD2 ARG A 113 0.717 -13.119 -4.557 1.00 0.00 H new ATOM 0 HD3 ARG A 113 2.275 -12.515 -4.029 1.00 0.00 H new ATOM 0 HE ARG A 113 3.216 -13.079 -6.202 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -0.269 -13.743 -6.159 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -0.450 -13.386 -7.879 1.00 0.00 H new ATOM 0 HH21 ARG A 113 2.914 -12.430 -8.320 1.00 0.00 H new ATOM 0 HH22 ARG A 113 1.341 -12.648 -9.094 1.00 0.00 H new