USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 976 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 23 HIS : no HD1:sc= 0.716 K(o=2.3,f=-5.3!) USER MOD Set 1.2: A 35 HIS : no HD1:sc= 1.63 K(o=2.3,f=-6.6!) USER MOD Set 1.3: A 113 CYS SG : rot 73:sc= -0.0313 USER MOD Set 2.1: A 109 THR OG1 : rot 180:sc= 0.405 USER MOD Set 2.2: A 112 ASN : amide:sc= 0.281 K(o=0.69,f=-0.27) USER MOD Set 3.1: A 89 CYS SG : rot 180:sc= 0.0658 USER MOD Set 3.2: A 90 SER OG : rot 180:sc= 0.0325 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -148:sc= 0.68 (180deg=0.155) USER MOD Single : A 9 LYS NZ :NH3+ 176:sc= 2.16 (180deg=2.11) USER MOD Single : A 21 TYR OH : rot 1:sc= 0.284 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0189 USER MOD Single : A 55 THR OG1 : rot -74:sc= 1.04 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -176:sc= 1.96 (180deg=1.95) USER MOD Single : A 62 LYS NZ :NH3+ -176:sc= 1.27 (180deg=1.16) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 78:sc= 2 USER MOD Single : A 73 LYS NZ :NH3+ 176:sc= 1.28 (180deg=1.27) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0.749 K(o=0.75,f=-3.9!) USER MOD Single : A 77 ASN : amide:sc= 1.15 K(o=1.1,f=-1) USER MOD Single : A 78 ASN : amide:sc= 0.555 K(o=0.56,f=-0.075) USER MOD Single : A 79 LYS NZ :NH3+ 176:sc= 1.27 (180deg=1.18) USER MOD Single : A 80 HIS : no HD1:sc= -0.032 X(o=-0.032,f=-0.032) USER MOD Single : A 83 LYS NZ :NH3+ -168:sc= 1.24 (180deg=1.22) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 160:sc=-0.00902 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0.714 K(o=0.71,f=-0.19) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot -69:sc= 1.3 USER MOD Single : A 115 HIS : no HD1:sc= -0.152 K(o=-0.15,f=-2.5!) USER MOD Single : A 118 ASN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 122 TYR OH : rot 96:sc= 0.112 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.194 3.618 -8.726 1.00 0.00 N ATOM 2 CA MET A 1 6.980 3.622 -7.258 1.00 0.00 C ATOM 3 C MET A 1 6.459 2.262 -6.781 1.00 0.00 C ATOM 4 O MET A 1 5.934 1.477 -7.575 1.00 0.00 O ATOM 5 CB MET A 1 6.068 4.785 -6.793 1.00 0.00 C ATOM 6 CG MET A 1 4.574 4.662 -7.149 1.00 0.00 C ATOM 7 SD MET A 1 4.124 4.775 -8.909 1.00 0.00 S ATOM 8 CE MET A 1 4.330 6.557 -9.194 1.00 0.00 C ATOM 0 H1 MET A 1 7.989 4.245 -8.963 1.00 0.00 H new ATOM 0 H2 MET A 1 7.409 2.651 -9.043 1.00 0.00 H new ATOM 0 H3 MET A 1 6.334 3.955 -9.203 1.00 0.00 H new ATOM 0 HA MET A 1 7.949 3.794 -6.791 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.156 4.877 -5.710 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.448 5.711 -7.224 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.214 3.706 -6.769 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.034 5.442 -6.612 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.091 6.790 -10.232 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.661 7.111 -8.535 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.362 6.842 -8.987 1.00 0.00 H new ATOM 20 N ARG A 2 6.579 1.973 -5.482 1.00 0.00 N ATOM 21 CA ARG A 2 5.967 0.832 -4.796 1.00 0.00 C ATOM 22 C ARG A 2 5.629 1.287 -3.374 1.00 0.00 C ATOM 23 O ARG A 2 6.129 2.325 -2.926 1.00 0.00 O ATOM 24 CB ARG A 2 6.931 -0.378 -4.760 1.00 0.00 C ATOM 25 CG ARG A 2 7.138 -1.115 -6.096 1.00 0.00 C ATOM 26 CD ARG A 2 5.835 -1.678 -6.684 1.00 0.00 C ATOM 27 NE ARG A 2 6.066 -2.469 -7.906 1.00 0.00 N ATOM 28 CZ ARG A 2 6.156 -1.993 -9.155 1.00 0.00 C ATOM 29 NH1 ARG A 2 6.098 -0.686 -9.397 1.00 0.00 N ATOM 30 NH2 ARG A 2 6.311 -2.842 -10.165 1.00 0.00 N ATOM 0 H ARG A 2 7.131 2.555 -4.852 1.00 0.00 H new ATOM 0 HA ARG A 2 5.070 0.510 -5.325 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.902 -0.034 -4.403 1.00 0.00 H new ATOM 0 HB3 ARG A 2 6.558 -1.093 -4.027 1.00 0.00 H new ATOM 0 HG2 ARG A 2 7.588 -0.431 -6.815 1.00 0.00 H new ATOM 0 HG3 ARG A 2 7.845 -1.931 -5.948 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.343 -2.302 -5.938 1.00 0.00 H new ATOM 0 HD3 ARG A 2 5.156 -0.856 -6.910 1.00 0.00 H new ATOM 0 HE ARG A 2 6.167 -3.477 -7.789 1.00 0.00 H new ATOM 0 HH11 ARG A 2 5.983 -0.029 -8.625 1.00 0.00 H new ATOM 0 HH12 ARG A 2 6.168 -0.341 -10.354 1.00 0.00 H new ATOM 0 HH21 ARG A 2 6.360 -3.845 -9.985 1.00 0.00 H new ATOM 0 HH22 ARG A 2 6.381 -2.491 -11.120 1.00 0.00 H new ATOM 44 N ALA A 3 4.789 0.529 -2.668 1.00 0.00 N ATOM 45 CA ALA A 3 4.500 0.768 -1.258 1.00 0.00 C ATOM 46 C ALA A 3 5.795 0.640 -0.435 1.00 0.00 C ATOM 47 O ALA A 3 6.681 -0.135 -0.818 1.00 0.00 O ATOM 48 CB ALA A 3 3.441 -0.232 -0.775 1.00 0.00 C ATOM 0 H ALA A 3 4.290 -0.269 -3.061 1.00 0.00 H new ATOM 0 HA ALA A 3 4.108 1.777 -1.127 1.00 0.00 H new ATOM 0 HB1 ALA A 3 3.225 -0.053 0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 3 2.529 -0.106 -1.359 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.815 -1.248 -0.901 1.00 0.00 H new ATOM 54 N PRO A 4 5.922 1.361 0.694 1.00 0.00 N ATOM 55 CA PRO A 4 7.085 1.260 1.565 1.00 0.00 C ATOM 56 C PRO A 4 7.104 -0.082 2.316 1.00 0.00 C ATOM 57 O PRO A 4 6.172 -0.889 2.235 1.00 0.00 O ATOM 58 CB PRO A 4 6.979 2.469 2.506 1.00 0.00 C ATOM 59 CG PRO A 4 5.473 2.693 2.627 1.00 0.00 C ATOM 60 CD PRO A 4 4.959 2.308 1.239 1.00 0.00 C ATOM 0 HA PRO A 4 8.024 1.278 1.012 1.00 0.00 H new ATOM 0 HB2 PRO A 4 7.434 2.265 3.475 1.00 0.00 H new ATOM 0 HB3 PRO A 4 7.483 3.343 2.095 1.00 0.00 H new ATOM 0 HG2 PRO A 4 5.033 2.072 3.407 1.00 0.00 H new ATOM 0 HG3 PRO A 4 5.237 3.728 2.873 1.00 0.00 H new ATOM 0 HD2 PRO A 4 3.967 1.861 1.302 1.00 0.00 H new ATOM 0 HD3 PRO A 4 4.873 3.186 0.599 1.00 0.00 H new ATOM 68 N ILE A 5 8.157 -0.277 3.111 1.00 0.00 N ATOM 69 CA ILE A 5 8.358 -1.419 4.002 1.00 0.00 C ATOM 70 C ILE A 5 8.665 -0.860 5.411 1.00 0.00 C ATOM 71 O ILE A 5 9.765 -1.048 5.930 1.00 0.00 O ATOM 72 CB ILE A 5 9.433 -2.370 3.404 1.00 0.00 C ATOM 73 CG1 ILE A 5 10.728 -1.635 2.968 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.832 -3.126 2.201 1.00 0.00 C ATOM 75 CD1 ILE A 5 11.909 -2.567 2.673 1.00 0.00 C ATOM 0 H ILE A 5 8.929 0.389 3.153 1.00 0.00 H new ATOM 0 HA ILE A 5 7.471 -2.045 4.100 1.00 0.00 H new ATOM 0 HB ILE A 5 9.720 -3.065 4.193 1.00 0.00 H new ATOM 0 HG12 ILE A 5 10.515 -1.044 2.078 1.00 0.00 H new ATOM 0 HG13 ILE A 5 11.018 -0.936 3.753 1.00 0.00 H new ATOM 0 HG21 ILE A 5 9.583 -3.794 1.779 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.972 -3.709 2.530 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.516 -2.410 1.442 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.774 -1.975 2.375 1.00 0.00 H new ATOM 0 HD12 ILE A 5 12.152 -3.140 3.567 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.641 -3.249 1.866 1.00 0.00 H new ATOM 87 N PRO A 6 7.726 -0.101 6.017 1.00 0.00 N ATOM 88 CA PRO A 6 8.001 0.693 7.209 1.00 0.00 C ATOM 89 C PRO A 6 8.179 -0.157 8.469 1.00 0.00 C ATOM 90 O PRO A 6 9.068 0.115 9.278 1.00 0.00 O ATOM 91 CB PRO A 6 6.808 1.651 7.320 1.00 0.00 C ATOM 92 CG PRO A 6 5.644 0.851 6.732 1.00 0.00 C ATOM 93 CD PRO A 6 6.320 0.018 5.644 1.00 0.00 C ATOM 0 HA PRO A 6 8.949 1.223 7.122 1.00 0.00 H new ATOM 0 HB2 PRO A 6 6.617 1.934 8.355 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.982 2.573 6.764 1.00 0.00 H new ATOM 0 HG2 PRO A 6 5.165 0.223 7.483 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.872 1.502 6.322 1.00 0.00 H new ATOM 0 HD2 PRO A 6 5.856 -0.965 5.566 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.217 0.497 4.670 1.00 0.00 H new ATOM 101 N GLU A 7 7.338 -1.178 8.634 1.00 0.00 N ATOM 102 CA GLU A 7 7.305 -2.051 9.804 1.00 0.00 C ATOM 103 C GLU A 7 6.599 -3.384 9.479 1.00 0.00 C ATOM 104 O GLU A 7 5.488 -3.623 9.965 1.00 0.00 O ATOM 105 CB GLU A 7 6.692 -1.317 11.019 1.00 0.00 C ATOM 106 CG GLU A 7 5.387 -0.550 10.735 1.00 0.00 C ATOM 107 CD GLU A 7 4.690 -0.140 12.041 1.00 0.00 C ATOM 108 OE1 GLU A 7 3.897 -0.952 12.571 1.00 0.00 O ATOM 109 OE2 GLU A 7 4.909 0.991 12.535 1.00 0.00 O ATOM 0 H GLU A 7 6.639 -1.427 7.934 1.00 0.00 H new ATOM 0 HA GLU A 7 8.327 -2.308 10.082 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.501 -2.047 11.805 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.429 -0.615 11.408 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.605 0.338 10.142 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.717 -1.173 10.142 1.00 0.00 H new ATOM 116 N PRO A 8 7.182 -4.248 8.624 1.00 0.00 N ATOM 117 CA PRO A 8 6.707 -5.622 8.464 1.00 0.00 C ATOM 118 C PRO A 8 6.590 -6.308 9.837 1.00 0.00 C ATOM 119 O PRO A 8 7.473 -6.144 10.685 1.00 0.00 O ATOM 120 CB PRO A 8 7.745 -6.328 7.578 1.00 0.00 C ATOM 121 CG PRO A 8 8.501 -5.200 6.877 1.00 0.00 C ATOM 122 CD PRO A 8 8.391 -4.022 7.842 1.00 0.00 C ATOM 0 HA PRO A 8 5.717 -5.659 8.009 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.419 -6.944 8.174 1.00 0.00 H new ATOM 0 HB3 PRO A 8 7.264 -6.988 6.857 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.541 -5.470 6.695 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.059 -4.965 5.909 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.267 -3.965 8.488 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.333 -3.078 7.299 1.00 0.00 H new ATOM 130 N LYS A 9 5.534 -7.101 10.058 1.00 0.00 N ATOM 131 CA LYS A 9 5.290 -7.809 11.321 1.00 0.00 C ATOM 132 C LYS A 9 4.825 -9.230 10.997 1.00 0.00 C ATOM 133 O LYS A 9 4.081 -9.392 10.026 1.00 0.00 O ATOM 134 CB LYS A 9 4.217 -7.089 12.152 1.00 0.00 C ATOM 135 CG LYS A 9 4.720 -5.768 12.763 1.00 0.00 C ATOM 136 CD LYS A 9 3.600 -4.944 13.421 1.00 0.00 C ATOM 137 CE LYS A 9 2.560 -4.409 12.421 1.00 0.00 C ATOM 138 NZ LYS A 9 3.114 -3.384 11.502 1.00 0.00 N ATOM 0 H LYS A 9 4.815 -7.271 9.355 1.00 0.00 H new ATOM 0 HA LYS A 9 6.210 -7.833 11.905 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.352 -6.886 11.521 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.880 -7.749 12.952 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.487 -5.987 13.506 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.193 -5.171 11.983 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.094 -5.562 14.163 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.044 -4.104 13.955 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.166 -5.240 11.835 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.722 -3.981 12.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.388 -3.110 10.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.404 -2.548 12.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.939 -3.774 11.003 1.00 0.00 H new ATOM 152 N PRO A 10 5.273 -10.261 11.735 1.00 0.00 N ATOM 153 CA PRO A 10 4.888 -11.646 11.488 1.00 0.00 C ATOM 154 C PRO A 10 3.369 -11.799 11.328 1.00 0.00 C ATOM 155 O PRO A 10 2.595 -11.199 12.077 1.00 0.00 O ATOM 156 CB PRO A 10 5.442 -12.436 12.676 1.00 0.00 C ATOM 157 CG PRO A 10 6.658 -11.623 13.104 1.00 0.00 C ATOM 158 CD PRO A 10 6.221 -10.187 12.839 1.00 0.00 C ATOM 0 HA PRO A 10 5.294 -12.019 10.548 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.711 -12.519 13.480 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.718 -13.451 12.390 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.901 -11.783 14.154 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.544 -11.888 12.527 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.759 -9.749 13.723 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.074 -9.559 12.581 1.00 0.00 H new ATOM 166 N GLY A 11 2.944 -12.601 10.351 1.00 0.00 N ATOM 167 CA GLY A 11 1.555 -12.814 9.991 1.00 0.00 C ATOM 168 C GLY A 11 1.102 -11.904 8.850 1.00 0.00 C ATOM 169 O GLY A 11 0.044 -12.176 8.277 1.00 0.00 O ATOM 0 H GLY A 11 3.589 -13.138 9.770 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.414 -13.855 9.700 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.926 -12.639 10.863 1.00 0.00 H new ATOM 173 N ASP A 12 1.820 -10.820 8.517 1.00 0.00 N ATOM 174 CA ASP A 12 1.395 -9.947 7.415 1.00 0.00 C ATOM 175 C ASP A 12 1.602 -10.663 6.076 1.00 0.00 C ATOM 176 O ASP A 12 2.472 -11.538 5.958 1.00 0.00 O ATOM 177 CB ASP A 12 2.121 -8.592 7.432 1.00 0.00 C ATOM 178 CG ASP A 12 1.182 -7.473 6.960 1.00 0.00 C ATOM 179 OD1 ASP A 12 0.410 -7.679 5.998 1.00 0.00 O ATOM 180 OD2 ASP A 12 1.157 -6.402 7.605 1.00 0.00 O ATOM 0 H ASP A 12 2.680 -10.532 8.985 1.00 0.00 H new ATOM 0 HA ASP A 12 0.334 -9.734 7.548 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.476 -8.376 8.440 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.999 -8.635 6.787 1.00 0.00 H new ATOM 185 N LEU A 13 0.819 -10.285 5.062 1.00 0.00 N ATOM 186 CA LEU A 13 1.037 -10.774 3.709 1.00 0.00 C ATOM 187 C LEU A 13 2.213 -10.008 3.128 1.00 0.00 C ATOM 188 O LEU A 13 2.291 -8.782 3.247 1.00 0.00 O ATOM 189 CB LEU A 13 -0.173 -10.561 2.783 1.00 0.00 C ATOM 190 CG LEU A 13 -1.444 -11.386 3.055 1.00 0.00 C ATOM 191 CD1 LEU A 13 -2.367 -11.303 1.835 1.00 0.00 C ATOM 192 CD2 LEU A 13 -1.111 -12.848 3.352 1.00 0.00 C ATOM 0 H LEU A 13 0.032 -9.643 5.158 1.00 0.00 H new ATOM 0 HA LEU A 13 1.215 -11.848 3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.444 -9.506 2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.147 -10.768 1.762 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.941 -10.973 3.933 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.269 -11.885 2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.637 -10.263 1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.852 -11.702 0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.032 -13.400 3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.594 -13.284 2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.470 -12.904 4.232 1.00 0.00 H new ATOM 204 N ILE A 14 3.071 -10.727 2.418 1.00 0.00 N ATOM 205 CA ILE A 14 4.164 -10.173 1.651 1.00 0.00 C ATOM 206 C ILE A 14 3.825 -10.450 0.194 1.00 0.00 C ATOM 207 O ILE A 14 3.279 -11.502 -0.148 1.00 0.00 O ATOM 208 CB ILE A 14 5.491 -10.850 2.071 1.00 0.00 C ATOM 209 CG1 ILE A 14 5.807 -10.682 3.574 1.00 0.00 C ATOM 210 CG2 ILE A 14 6.678 -10.385 1.203 1.00 0.00 C ATOM 211 CD1 ILE A 14 5.997 -9.235 4.047 1.00 0.00 C ATOM 0 H ILE A 14 3.019 -11.744 2.362 1.00 0.00 H new ATOM 0 HA ILE A 14 4.294 -9.104 1.817 1.00 0.00 H new ATOM 0 HB ILE A 14 5.344 -11.916 1.897 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.999 -11.132 4.151 1.00 0.00 H new ATOM 0 HG13 ILE A 14 6.713 -11.243 3.803 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.588 -10.886 1.533 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.485 -10.634 0.159 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.801 -9.306 1.302 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.214 -9.227 5.115 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.826 -8.781 3.505 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.086 -8.668 3.858 1.00 0.00 H new ATOM 223 N GLU A 15 4.191 -9.526 -0.677 1.00 0.00 N ATOM 224 CA GLU A 15 4.195 -9.768 -2.102 1.00 0.00 C ATOM 225 C GLU A 15 5.608 -9.477 -2.575 1.00 0.00 C ATOM 226 O GLU A 15 6.326 -8.669 -1.994 1.00 0.00 O ATOM 227 CB GLU A 15 3.105 -9.000 -2.844 1.00 0.00 C ATOM 228 CG GLU A 15 3.295 -7.490 -2.795 1.00 0.00 C ATOM 229 CD GLU A 15 2.345 -6.810 -3.777 1.00 0.00 C ATOM 230 OE1 GLU A 15 2.749 -6.647 -4.952 1.00 0.00 O ATOM 231 OE2 GLU A 15 1.223 -6.422 -3.388 1.00 0.00 O ATOM 0 H GLU A 15 4.493 -8.588 -0.413 1.00 0.00 H new ATOM 0 HA GLU A 15 3.939 -10.803 -2.328 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.086 -9.324 -3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.136 -9.252 -2.414 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.109 -7.125 -1.785 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.326 -7.237 -3.041 1.00 0.00 H new ATOM 238 N ILE A 16 5.990 -10.160 -3.633 1.00 0.00 N ATOM 239 CA ILE A 16 7.327 -10.305 -4.159 1.00 0.00 C ATOM 240 C ILE A 16 7.202 -9.895 -5.614 1.00 0.00 C ATOM 241 O ILE A 16 6.584 -10.610 -6.402 1.00 0.00 O ATOM 242 CB ILE A 16 7.719 -11.793 -4.023 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.664 -12.358 -2.587 1.00 0.00 C ATOM 244 CG2 ILE A 16 9.074 -12.083 -4.688 1.00 0.00 C ATOM 245 CD1 ILE A 16 8.697 -11.757 -1.635 1.00 0.00 C ATOM 0 H ILE A 16 5.311 -10.673 -4.195 1.00 0.00 H new ATOM 0 HA ILE A 16 8.085 -9.710 -3.650 1.00 0.00 H new ATOM 0 HB ILE A 16 6.939 -12.331 -4.562 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.668 -12.186 -2.179 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.810 -13.437 -2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.317 -13.139 -4.573 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.019 -11.837 -5.748 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.848 -11.479 -4.215 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.589 -12.209 -0.649 1.00 0.00 H new ATOM 0 HD12 ILE A 16 9.700 -11.952 -2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.540 -10.681 -1.560 1.00 0.00 H new ATOM 257 N PHE A 17 7.729 -8.739 -5.986 1.00 0.00 N ATOM 258 CA PHE A 17 7.795 -8.409 -7.405 1.00 0.00 C ATOM 259 C PHE A 17 8.876 -9.265 -8.065 1.00 0.00 C ATOM 260 O PHE A 17 9.940 -9.489 -7.483 1.00 0.00 O ATOM 261 CB PHE A 17 7.981 -6.903 -7.627 1.00 0.00 C ATOM 262 CG PHE A 17 6.708 -6.283 -8.166 1.00 0.00 C ATOM 263 CD1 PHE A 17 5.714 -5.811 -7.286 1.00 0.00 C ATOM 264 CD2 PHE A 17 6.464 -6.295 -9.554 1.00 0.00 C ATOM 265 CE1 PHE A 17 4.491 -5.341 -7.796 1.00 0.00 C ATOM 266 CE2 PHE A 17 5.237 -5.832 -10.060 1.00 0.00 C ATOM 267 CZ PHE A 17 4.251 -5.350 -9.181 1.00 0.00 C ATOM 0 H PHE A 17 8.106 -8.034 -5.352 1.00 0.00 H new ATOM 0 HA PHE A 17 6.846 -8.646 -7.886 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.257 -6.423 -6.688 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.800 -6.731 -8.326 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.891 -5.810 -6.221 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.222 -6.661 -10.231 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.733 -4.972 -7.121 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.052 -5.846 -11.124 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.311 -4.987 -9.569 1.00 0.00 H new ATOM 277 N ARG A 18 8.608 -9.737 -9.285 1.00 0.00 N ATOM 278 CA ARG A 18 9.532 -10.491 -10.127 1.00 0.00 C ATOM 279 C ARG A 18 9.824 -9.636 -11.372 1.00 0.00 C ATOM 280 O ARG A 18 9.139 -8.633 -11.583 1.00 0.00 O ATOM 281 CB ARG A 18 8.858 -11.836 -10.469 1.00 0.00 C ATOM 282 CG ARG A 18 8.663 -12.762 -9.251 1.00 0.00 C ATOM 283 CD ARG A 18 9.535 -14.018 -9.369 1.00 0.00 C ATOM 284 NE ARG A 18 9.674 -14.712 -8.081 1.00 0.00 N ATOM 285 CZ ARG A 18 8.854 -15.622 -7.547 1.00 0.00 C ATOM 286 NH1 ARG A 18 7.871 -16.172 -8.255 1.00 0.00 N ATOM 287 NH2 ARG A 18 9.016 -15.951 -6.269 1.00 0.00 N ATOM 0 H ARG A 18 7.701 -9.596 -9.730 1.00 0.00 H new ATOM 0 HA ARG A 18 10.481 -10.707 -9.637 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.887 -11.640 -10.924 1.00 0.00 H new ATOM 0 HB3 ARG A 18 9.460 -12.354 -11.215 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.916 -12.224 -8.337 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.614 -13.049 -9.172 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.097 -14.696 -10.101 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.522 -13.741 -9.741 1.00 0.00 H new ATOM 0 HE ARG A 18 10.496 -14.470 -7.528 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.730 -15.901 -9.228 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.258 -16.865 -7.825 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.754 -15.511 -5.719 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.403 -16.643 -5.839 1.00 0.00 H new ATOM 301 N PRO A 19 10.810 -9.992 -12.217 1.00 0.00 N ATOM 302 CA PRO A 19 11.219 -9.163 -13.352 1.00 0.00 C ATOM 303 C PRO A 19 10.100 -8.813 -14.348 1.00 0.00 C ATOM 304 O PRO A 19 10.207 -7.798 -15.038 1.00 0.00 O ATOM 305 CB PRO A 19 12.359 -9.925 -14.035 1.00 0.00 C ATOM 306 CG PRO A 19 12.952 -10.760 -12.902 1.00 0.00 C ATOM 307 CD PRO A 19 11.721 -11.122 -12.076 1.00 0.00 C ATOM 0 HA PRO A 19 11.526 -8.185 -12.980 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.993 -10.552 -14.848 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.097 -9.246 -14.463 1.00 0.00 H new ATOM 0 HG2 PRO A 19 13.464 -11.646 -13.277 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.679 -10.194 -12.319 1.00 0.00 H new ATOM 0 HD2 PRO A 19 11.263 -12.043 -12.437 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.984 -11.286 -11.031 1.00 0.00 H new ATOM 315 N PHE A 20 9.040 -9.629 -14.431 1.00 0.00 N ATOM 316 CA PHE A 20 7.933 -9.446 -15.376 1.00 0.00 C ATOM 317 C PHE A 20 6.557 -9.790 -14.777 1.00 0.00 C ATOM 318 O PHE A 20 5.558 -9.767 -15.499 1.00 0.00 O ATOM 319 CB PHE A 20 8.217 -10.278 -16.642 1.00 0.00 C ATOM 320 CG PHE A 20 8.254 -11.785 -16.429 1.00 0.00 C ATOM 321 CD1 PHE A 20 9.464 -12.424 -16.091 1.00 0.00 C ATOM 322 CD2 PHE A 20 7.081 -12.554 -16.568 1.00 0.00 C ATOM 323 CE1 PHE A 20 9.499 -13.813 -15.880 1.00 0.00 C ATOM 324 CE2 PHE A 20 7.116 -13.944 -16.358 1.00 0.00 C ATOM 325 CZ PHE A 20 8.324 -14.574 -16.012 1.00 0.00 C ATOM 0 H PHE A 20 8.927 -10.448 -13.833 1.00 0.00 H new ATOM 0 HA PHE A 20 7.879 -8.387 -15.629 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.454 -10.050 -17.386 1.00 0.00 H new ATOM 0 HB3 PHE A 20 9.173 -9.962 -17.059 1.00 0.00 H new ATOM 0 HD1 PHE A 20 10.369 -11.843 -15.994 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.152 -12.074 -16.837 1.00 0.00 H new ATOM 0 HE1 PHE A 20 10.428 -14.296 -15.616 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.214 -14.528 -16.463 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.350 -15.641 -15.848 1.00 0.00 H new ATOM 335 N TYR A 21 6.482 -10.129 -13.483 1.00 0.00 N ATOM 336 CA TYR A 21 5.257 -10.561 -12.805 1.00 0.00 C ATOM 337 C TYR A 21 5.411 -10.331 -11.298 1.00 0.00 C ATOM 338 O TYR A 21 6.254 -9.534 -10.882 1.00 0.00 O ATOM 339 CB TYR A 21 4.887 -12.014 -13.175 1.00 0.00 C ATOM 340 CG TYR A 21 5.708 -13.144 -12.571 1.00 0.00 C ATOM 341 CD1 TYR A 21 7.063 -13.306 -12.910 1.00 0.00 C ATOM 342 CD2 TYR A 21 5.088 -14.091 -11.733 1.00 0.00 C ATOM 343 CE1 TYR A 21 7.773 -14.443 -12.480 1.00 0.00 C ATOM 344 CE2 TYR A 21 5.799 -15.206 -11.259 1.00 0.00 C ATOM 345 CZ TYR A 21 7.137 -15.405 -11.661 1.00 0.00 C ATOM 346 OH TYR A 21 7.815 -16.503 -11.220 1.00 0.00 O ATOM 0 H TYR A 21 7.293 -10.109 -12.865 1.00 0.00 H new ATOM 0 HA TYR A 21 4.413 -9.961 -13.145 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.846 -12.173 -12.895 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.943 -12.105 -14.260 1.00 0.00 H new ATOM 0 HD1 TYR A 21 7.562 -12.554 -13.503 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.054 -13.958 -11.451 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.803 -14.581 -12.775 1.00 0.00 H new ATOM 0 HE2 TYR A 21 5.324 -15.908 -10.590 1.00 0.00 H new ATOM 0 HH TYR A 21 8.738 -16.471 -11.548 1.00 0.00 H new ATOM 356 N ARG A 22 4.606 -10.988 -10.462 1.00 0.00 N ATOM 357 CA ARG A 22 4.560 -10.765 -9.023 1.00 0.00 C ATOM 358 C ARG A 22 4.160 -12.087 -8.377 1.00 0.00 C ATOM 359 O ARG A 22 3.520 -12.919 -9.019 1.00 0.00 O ATOM 360 CB ARG A 22 3.584 -9.594 -8.781 1.00 0.00 C ATOM 361 CG ARG A 22 3.366 -9.139 -7.325 1.00 0.00 C ATOM 362 CD ARG A 22 2.101 -9.727 -6.683 1.00 0.00 C ATOM 363 NE ARG A 22 0.871 -9.379 -7.426 1.00 0.00 N ATOM 364 CZ ARG A 22 0.200 -8.216 -7.375 1.00 0.00 C ATOM 365 NH1 ARG A 22 0.614 -7.200 -6.624 1.00 0.00 N ATOM 366 NH2 ARG A 22 -0.908 -8.075 -8.097 1.00 0.00 N ATOM 0 H ARG A 22 3.954 -11.706 -10.778 1.00 0.00 H new ATOM 0 HA ARG A 22 5.511 -10.477 -8.574 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.940 -8.736 -9.352 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.615 -9.873 -9.195 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.233 -9.425 -6.729 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.306 -8.051 -7.298 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.195 -10.812 -6.631 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.016 -9.365 -5.658 1.00 0.00 H new ATOM 0 HE ARG A 22 0.492 -10.098 -8.042 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.463 -7.291 -6.066 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.083 -6.329 -6.606 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.238 -8.844 -8.680 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.427 -7.198 -8.068 1.00 0.00 H new ATOM 380 N HIS A 23 4.544 -12.299 -7.128 1.00 0.00 N ATOM 381 CA HIS A 23 4.387 -13.534 -6.376 1.00 0.00 C ATOM 382 C HIS A 23 3.998 -13.150 -4.948 1.00 0.00 C ATOM 383 O HIS A 23 4.059 -11.969 -4.597 1.00 0.00 O ATOM 384 CB HIS A 23 5.720 -14.292 -6.470 1.00 0.00 C ATOM 385 CG HIS A 23 5.776 -15.646 -5.814 1.00 0.00 C ATOM 386 ND1 HIS A 23 5.526 -16.856 -6.463 1.00 0.00 N ATOM 387 CD2 HIS A 23 6.280 -15.906 -4.572 1.00 0.00 C ATOM 388 CE1 HIS A 23 5.859 -17.817 -5.585 1.00 0.00 C ATOM 389 NE2 HIS A 23 6.325 -17.275 -4.449 1.00 0.00 N ATOM 0 H HIS A 23 5.001 -11.570 -6.580 1.00 0.00 H new ATOM 0 HA HIS A 23 3.607 -14.191 -6.761 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.968 -14.414 -7.524 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.498 -13.668 -6.030 1.00 0.00 H new ATOM 0 HD2 HIS A 23 6.583 -15.180 -3.832 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.765 -18.877 -5.768 1.00 0.00 H new ATOM 0 HE2 HIS A 23 6.656 -17.791 -3.634 1.00 0.00 H new ATOM 397 N TRP A 24 3.583 -14.107 -4.118 1.00 0.00 N ATOM 398 CA TRP A 24 3.061 -13.827 -2.784 1.00 0.00 C ATOM 399 C TRP A 24 3.645 -14.799 -1.771 1.00 0.00 C ATOM 400 O TRP A 24 3.950 -15.947 -2.099 1.00 0.00 O ATOM 401 CB TRP A 24 1.533 -13.897 -2.787 1.00 0.00 C ATOM 402 CG TRP A 24 0.841 -12.751 -3.447 1.00 0.00 C ATOM 403 CD1 TRP A 24 0.594 -12.600 -4.766 1.00 0.00 C ATOM 404 CD2 TRP A 24 0.281 -11.573 -2.803 1.00 0.00 C ATOM 405 NE1 TRP A 24 -0.073 -11.409 -4.978 1.00 0.00 N ATOM 406 CE2 TRP A 24 -0.293 -10.731 -3.798 1.00 0.00 C ATOM 407 CE3 TRP A 24 0.204 -11.143 -1.466 1.00 0.00 C ATOM 408 CZ2 TRP A 24 -0.916 -9.515 -3.479 1.00 0.00 C ATOM 409 CZ3 TRP A 24 -0.423 -9.929 -1.133 1.00 0.00 C ATOM 410 CH2 TRP A 24 -0.986 -9.119 -2.133 1.00 0.00 C ATOM 0 H TRP A 24 3.600 -15.099 -4.354 1.00 0.00 H new ATOM 0 HA TRP A 24 3.357 -12.818 -2.497 1.00 0.00 H new ATOM 0 HB2 TRP A 24 1.229 -14.818 -3.285 1.00 0.00 H new ATOM 0 HB3 TRP A 24 1.187 -13.963 -1.755 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.875 -13.302 -5.537 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.367 -11.073 -5.895 1.00 0.00 H new ATOM 0 HE3 TRP A 24 0.632 -11.753 -0.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -1.335 -8.893 -4.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -0.472 -9.617 -0.100 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.472 -8.192 -1.867 1.00 0.00 H new ATOM 421 N ALA A 25 3.774 -14.317 -0.539 1.00 0.00 N ATOM 422 CA ALA A 25 4.368 -14.993 0.597 1.00 0.00 C ATOM 423 C ALA A 25 3.676 -14.485 1.870 1.00 0.00 C ATOM 424 O ALA A 25 2.881 -13.545 1.826 1.00 0.00 O ATOM 425 CB ALA A 25 5.869 -14.675 0.605 1.00 0.00 C ATOM 0 H ALA A 25 3.443 -13.383 -0.298 1.00 0.00 H new ATOM 0 HA ALA A 25 4.241 -16.074 0.543 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.342 -15.172 1.452 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.321 -15.028 -0.322 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.012 -13.598 0.691 1.00 0.00 H new ATOM 431 N ILE A 26 3.977 -15.077 3.019 1.00 0.00 N ATOM 432 CA ILE A 26 3.450 -14.651 4.303 1.00 0.00 C ATOM 433 C ILE A 26 4.610 -14.648 5.286 1.00 0.00 C ATOM 434 O ILE A 26 5.422 -15.572 5.288 1.00 0.00 O ATOM 435 CB ILE A 26 2.281 -15.577 4.680 1.00 0.00 C ATOM 436 CG1 ILE A 26 1.410 -14.925 5.767 1.00 0.00 C ATOM 437 CG2 ILE A 26 2.714 -17.001 5.062 1.00 0.00 C ATOM 438 CD1 ILE A 26 0.076 -15.665 5.861 1.00 0.00 C ATOM 0 H ILE A 26 4.604 -15.879 3.083 1.00 0.00 H new ATOM 0 HA ILE A 26 3.037 -13.642 4.295 1.00 0.00 H new ATOM 0 HB ILE A 26 1.679 -15.703 3.780 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.924 -14.956 6.728 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.240 -13.875 5.531 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.835 -17.593 5.315 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.232 -17.462 4.221 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.383 -16.960 5.922 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.542 -15.204 6.631 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.439 -15.611 4.902 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.256 -16.709 6.117 1.00 0.00 H new ATOM 450 N TYR A 27 4.736 -13.583 6.068 1.00 0.00 N ATOM 451 CA TYR A 27 5.827 -13.405 7.009 1.00 0.00 C ATOM 452 C TYR A 27 5.530 -14.274 8.230 1.00 0.00 C ATOM 453 O TYR A 27 4.388 -14.305 8.688 1.00 0.00 O ATOM 454 CB TYR A 27 5.904 -11.901 7.322 1.00 0.00 C ATOM 455 CG TYR A 27 7.226 -11.327 7.805 1.00 0.00 C ATOM 456 CD1 TYR A 27 8.466 -11.754 7.291 1.00 0.00 C ATOM 457 CD2 TYR A 27 7.190 -10.237 8.688 1.00 0.00 C ATOM 458 CE1 TYR A 27 9.657 -11.121 7.687 1.00 0.00 C ATOM 459 CE2 TYR A 27 8.375 -9.618 9.124 1.00 0.00 C ATOM 460 CZ TYR A 27 9.621 -10.061 8.621 1.00 0.00 C ATOM 461 OH TYR A 27 10.783 -9.459 9.003 1.00 0.00 O ATOM 0 H TYR A 27 4.072 -12.809 6.064 1.00 0.00 H new ATOM 0 HA TYR A 27 6.799 -13.716 6.625 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.617 -11.360 6.420 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.151 -11.681 8.079 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.502 -12.573 6.588 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.237 -9.868 9.038 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.602 -11.445 7.277 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.334 -8.809 9.839 1.00 0.00 H new ATOM 0 HH TYR A 27 10.586 -8.749 9.649 1.00 0.00 H new ATOM 471 N VAL A 28 6.525 -14.980 8.765 1.00 0.00 N ATOM 472 CA VAL A 28 6.326 -15.955 9.850 1.00 0.00 C ATOM 473 C VAL A 28 7.318 -15.781 11.007 1.00 0.00 C ATOM 474 O VAL A 28 7.260 -16.518 11.990 1.00 0.00 O ATOM 475 CB VAL A 28 6.324 -17.399 9.301 1.00 0.00 C ATOM 476 CG1 VAL A 28 5.133 -17.644 8.365 1.00 0.00 C ATOM 477 CG2 VAL A 28 7.628 -17.775 8.580 1.00 0.00 C ATOM 0 H VAL A 28 7.495 -14.896 8.462 1.00 0.00 H new ATOM 0 HA VAL A 28 5.343 -15.755 10.276 1.00 0.00 H new ATOM 0 HB VAL A 28 6.235 -18.041 10.177 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.164 -18.670 7.998 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.203 -17.481 8.909 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.185 -16.955 7.522 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.561 -18.801 8.219 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.784 -17.103 7.736 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.465 -17.688 9.273 1.00 0.00 H new ATOM 487 N GLY A 29 8.213 -14.799 10.921 1.00 0.00 N ATOM 488 CA GLY A 29 9.186 -14.483 11.950 1.00 0.00 C ATOM 489 C GLY A 29 9.859 -13.174 11.576 1.00 0.00 C ATOM 490 O GLY A 29 9.485 -12.552 10.582 1.00 0.00 O ATOM 0 H GLY A 29 8.278 -14.187 10.108 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.699 -14.397 12.921 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.924 -15.280 12.034 1.00 0.00 H new ATOM 494 N ASP A 30 10.861 -12.757 12.345 1.00 0.00 N ATOM 495 CA ASP A 30 11.614 -11.518 12.124 1.00 0.00 C ATOM 496 C ASP A 30 12.628 -11.674 10.971 1.00 0.00 C ATOM 497 O ASP A 30 13.795 -11.293 11.083 1.00 0.00 O ATOM 498 CB ASP A 30 12.272 -11.086 13.445 1.00 0.00 C ATOM 499 CG ASP A 30 12.954 -9.707 13.345 1.00 0.00 C ATOM 500 OD1 ASP A 30 12.351 -8.757 12.797 1.00 0.00 O ATOM 501 OD2 ASP A 30 14.079 -9.546 13.875 1.00 0.00 O ATOM 0 H ASP A 30 11.182 -13.281 13.159 1.00 0.00 H new ATOM 0 HA ASP A 30 10.933 -10.726 11.811 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.517 -11.057 14.230 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.010 -11.832 13.740 1.00 0.00 H new ATOM 506 N GLY A 31 12.210 -12.314 9.876 1.00 0.00 N ATOM 507 CA GLY A 31 13.015 -12.491 8.676 1.00 0.00 C ATOM 508 C GLY A 31 12.457 -13.550 7.732 1.00 0.00 C ATOM 509 O GLY A 31 12.610 -13.406 6.524 1.00 0.00 O ATOM 0 H GLY A 31 11.282 -12.731 9.803 1.00 0.00 H new ATOM 0 HA2 GLY A 31 13.082 -11.540 8.147 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.029 -12.768 8.964 1.00 0.00 H new ATOM 513 N TYR A 32 11.825 -14.613 8.237 1.00 0.00 N ATOM 514 CA TYR A 32 11.411 -15.736 7.395 1.00 0.00 C ATOM 515 C TYR A 32 10.009 -15.532 6.832 1.00 0.00 C ATOM 516 O TYR A 32 9.153 -14.901 7.460 1.00 0.00 O ATOM 517 CB TYR A 32 11.499 -17.051 8.180 1.00 0.00 C ATOM 518 CG TYR A 32 12.926 -17.524 8.379 1.00 0.00 C ATOM 519 CD1 TYR A 32 13.545 -18.311 7.388 1.00 0.00 C ATOM 520 CD2 TYR A 32 13.648 -17.152 9.531 1.00 0.00 C ATOM 521 CE1 TYR A 32 14.881 -18.721 7.541 1.00 0.00 C ATOM 522 CE2 TYR A 32 14.985 -17.560 9.690 1.00 0.00 C ATOM 523 CZ TYR A 32 15.608 -18.347 8.694 1.00 0.00 C ATOM 524 OH TYR A 32 16.905 -18.745 8.828 1.00 0.00 O ATOM 0 H TYR A 32 11.590 -14.718 9.224 1.00 0.00 H new ATOM 0 HA TYR A 32 12.095 -15.788 6.548 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.026 -16.920 9.153 1.00 0.00 H new ATOM 0 HB3 TYR A 32 10.936 -17.821 7.653 1.00 0.00 H new ATOM 0 HD1 TYR A 32 12.991 -18.601 6.507 1.00 0.00 H new ATOM 0 HD2 TYR A 32 13.174 -16.552 10.294 1.00 0.00 H new ATOM 0 HE1 TYR A 32 15.352 -19.322 6.777 1.00 0.00 H new ATOM 0 HE2 TYR A 32 15.536 -17.272 10.573 1.00 0.00 H new ATOM 0 HH TYR A 32 17.265 -18.406 9.674 1.00 0.00 H new ATOM 534 N VAL A 33 9.756 -16.151 5.681 1.00 0.00 N ATOM 535 CA VAL A 33 8.464 -16.196 5.018 1.00 0.00 C ATOM 536 C VAL A 33 8.130 -17.637 4.641 1.00 0.00 C ATOM 537 O VAL A 33 9.028 -18.454 4.434 1.00 0.00 O ATOM 538 CB VAL A 33 8.449 -15.319 3.745 1.00 0.00 C ATOM 539 CG1 VAL A 33 8.402 -13.825 4.061 1.00 0.00 C ATOM 540 CG2 VAL A 33 9.629 -15.580 2.795 1.00 0.00 C ATOM 0 H VAL A 33 10.479 -16.655 5.167 1.00 0.00 H new ATOM 0 HA VAL A 33 7.718 -15.806 5.711 1.00 0.00 H new ATOM 0 HB VAL A 33 7.531 -15.615 3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.393 -13.257 3.131 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.500 -13.602 4.631 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.279 -13.549 4.647 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.548 -14.927 1.926 1.00 0.00 H new ATOM 0 HG22 VAL A 33 10.566 -15.378 3.314 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.611 -16.620 2.470 1.00 0.00 H new ATOM 550 N VAL A 34 6.840 -17.924 4.504 1.00 0.00 N ATOM 551 CA VAL A 34 6.302 -19.135 3.911 1.00 0.00 C ATOM 552 C VAL A 34 5.717 -18.693 2.569 1.00 0.00 C ATOM 553 O VAL A 34 5.086 -17.636 2.490 1.00 0.00 O ATOM 554 CB VAL A 34 5.272 -19.754 4.877 1.00 0.00 C ATOM 555 CG1 VAL A 34 4.350 -20.780 4.213 1.00 0.00 C ATOM 556 CG2 VAL A 34 6.003 -20.423 6.044 1.00 0.00 C ATOM 0 H VAL A 34 6.110 -17.286 4.820 1.00 0.00 H new ATOM 0 HA VAL A 34 7.040 -19.919 3.740 1.00 0.00 H new ATOM 0 HB VAL A 34 4.641 -18.935 5.223 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.652 -21.174 4.952 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.794 -20.301 3.407 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.947 -21.597 3.807 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.275 -20.860 6.727 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.658 -21.206 5.662 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.597 -19.680 6.575 1.00 0.00 H new ATOM 566 N HIS A 35 5.949 -19.452 1.499 1.00 0.00 N ATOM 567 CA HIS A 35 5.498 -19.092 0.155 1.00 0.00 C ATOM 568 C HIS A 35 5.466 -20.321 -0.749 1.00 0.00 C ATOM 569 O HIS A 35 5.915 -21.393 -0.342 1.00 0.00 O ATOM 570 CB HIS A 35 6.409 -17.999 -0.428 1.00 0.00 C ATOM 571 CG HIS A 35 7.722 -18.452 -1.016 1.00 0.00 C ATOM 572 ND1 HIS A 35 8.240 -17.976 -2.223 1.00 0.00 N ATOM 573 CD2 HIS A 35 8.610 -19.332 -0.462 1.00 0.00 C ATOM 574 CE1 HIS A 35 9.421 -18.595 -2.376 1.00 0.00 C ATOM 575 NE2 HIS A 35 9.672 -19.404 -1.336 1.00 0.00 N ATOM 0 H HIS A 35 6.456 -20.336 1.540 1.00 0.00 H new ATOM 0 HA HIS A 35 4.483 -18.699 0.216 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.853 -17.471 -1.203 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.621 -17.277 0.360 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.501 -19.863 0.472 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.080 -18.460 -3.221 1.00 0.00 H new ATOM 0 HE2 HIS A 35 10.508 -19.976 -1.213 1.00 0.00 H new ATOM 583 N LEU A 36 4.941 -20.185 -1.969 1.00 0.00 N ATOM 584 CA LEU A 36 4.980 -21.267 -2.950 1.00 0.00 C ATOM 585 C LEU A 36 6.333 -21.247 -3.659 1.00 0.00 C ATOM 586 O LEU A 36 6.882 -20.182 -3.935 1.00 0.00 O ATOM 587 CB LEU A 36 3.861 -21.130 -3.999 1.00 0.00 C ATOM 588 CG LEU A 36 2.440 -21.565 -3.599 1.00 0.00 C ATOM 589 CD1 LEU A 36 2.379 -23.039 -3.174 1.00 0.00 C ATOM 590 CD2 LEU A 36 1.864 -20.701 -2.479 1.00 0.00 C ATOM 0 H LEU A 36 4.484 -19.335 -2.299 1.00 0.00 H new ATOM 0 HA LEU A 36 4.832 -22.208 -2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.817 -20.085 -4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.153 -21.708 -4.876 1.00 0.00 H new ATOM 0 HG LEU A 36 1.835 -21.431 -4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.356 -23.297 -2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.704 -23.670 -4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.034 -23.198 -2.317 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.860 -21.047 -2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.501 -20.776 -1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.819 -19.662 -2.807 1.00 0.00 H new ATOM 602 N ALA A 37 6.823 -22.423 -4.038 1.00 0.00 N ATOM 603 CA ALA A 37 8.046 -22.648 -4.795 1.00 0.00 C ATOM 604 C ALA A 37 7.812 -23.839 -5.745 1.00 0.00 C ATOM 605 O ALA A 37 6.818 -24.555 -5.576 1.00 0.00 O ATOM 606 CB ALA A 37 9.174 -22.936 -3.799 1.00 0.00 C ATOM 0 H ALA A 37 6.347 -23.296 -3.810 1.00 0.00 H new ATOM 0 HA ALA A 37 8.322 -21.779 -5.392 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.103 -23.109 -4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.297 -22.083 -3.132 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.926 -23.822 -3.214 1.00 0.00 H new ATOM 612 N PRO A 38 8.678 -24.073 -6.751 1.00 0.00 N ATOM 613 CA PRO A 38 8.622 -25.280 -7.575 1.00 0.00 C ATOM 614 C PRO A 38 8.611 -26.567 -6.723 1.00 0.00 C ATOM 615 O PRO A 38 9.132 -26.556 -5.601 1.00 0.00 O ATOM 616 CB PRO A 38 9.857 -25.215 -8.484 1.00 0.00 C ATOM 617 CG PRO A 38 10.149 -23.719 -8.579 1.00 0.00 C ATOM 618 CD PRO A 38 9.772 -23.215 -7.186 1.00 0.00 C ATOM 0 HA PRO A 38 7.699 -25.317 -8.153 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.698 -25.762 -8.059 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.658 -25.648 -9.464 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.196 -23.525 -8.810 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.556 -23.239 -9.358 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.618 -23.279 -6.502 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.464 -22.170 -7.216 1.00 0.00 H new ATOM 626 N PRO A 39 8.052 -27.680 -7.233 1.00 0.00 N ATOM 627 CA PRO A 39 8.099 -28.963 -6.541 1.00 0.00 C ATOM 628 C PRO A 39 9.539 -29.499 -6.475 1.00 0.00 C ATOM 629 O PRO A 39 10.412 -29.056 -7.231 1.00 0.00 O ATOM 630 CB PRO A 39 7.148 -29.883 -7.313 1.00 0.00 C ATOM 631 CG PRO A 39 7.211 -29.330 -8.733 1.00 0.00 C ATOM 632 CD PRO A 39 7.407 -27.827 -8.531 1.00 0.00 C ATOM 0 HA PRO A 39 7.784 -28.886 -5.500 1.00 0.00 H new ATOM 0 HB2 PRO A 39 7.470 -30.923 -7.271 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.136 -29.846 -6.910 1.00 0.00 H new ATOM 0 HG2 PRO A 39 8.034 -29.769 -9.297 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.296 -29.543 -9.286 1.00 0.00 H new ATOM 0 HD2 PRO A 39 8.023 -27.403 -9.324 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.452 -27.302 -8.555 1.00 0.00 H new ATOM 640 N SER A 40 9.773 -30.482 -5.593 1.00 0.00 N ATOM 641 CA SER A 40 11.115 -30.939 -5.214 1.00 0.00 C ATOM 642 C SER A 40 11.951 -29.728 -4.750 1.00 0.00 C ATOM 643 O SER A 40 11.377 -28.723 -4.322 1.00 0.00 O ATOM 644 CB SER A 40 11.743 -31.756 -6.359 1.00 0.00 C ATOM 645 OG SER A 40 10.858 -32.780 -6.798 1.00 0.00 O ATOM 0 H SER A 40 9.025 -30.987 -5.118 1.00 0.00 H new ATOM 0 HA SER A 40 11.073 -31.623 -4.367 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.983 -31.096 -7.192 1.00 0.00 H new ATOM 0 HB3 SER A 40 12.680 -32.199 -6.023 1.00 0.00 H new ATOM 0 HG SER A 40 11.277 -33.284 -7.526 1.00 0.00 H new ATOM 651 N GLU A 41 13.285 -29.794 -4.753 1.00 0.00 N ATOM 652 CA GLU A 41 14.120 -28.613 -4.560 1.00 0.00 C ATOM 653 C GLU A 41 15.480 -28.805 -5.230 1.00 0.00 C ATOM 654 O GLU A 41 15.990 -29.923 -5.335 1.00 0.00 O ATOM 655 CB GLU A 41 14.285 -28.208 -3.080 1.00 0.00 C ATOM 656 CG GLU A 41 14.531 -29.345 -2.073 1.00 0.00 C ATOM 657 CD GLU A 41 13.223 -29.977 -1.565 1.00 0.00 C ATOM 658 OE1 GLU A 41 12.395 -29.249 -0.968 1.00 0.00 O ATOM 659 OE2 GLU A 41 13.030 -31.205 -1.721 1.00 0.00 O ATOM 0 H GLU A 41 13.809 -30.659 -4.888 1.00 0.00 H new ATOM 0 HA GLU A 41 13.597 -27.785 -5.038 1.00 0.00 H new ATOM 0 HB2 GLU A 41 15.117 -27.507 -3.010 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.388 -27.670 -2.773 1.00 0.00 H new ATOM 0 HG2 GLU A 41 15.144 -30.115 -2.542 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.097 -28.959 -1.225 1.00 0.00 H new ATOM 666 N VAL A 42 16.052 -27.676 -5.649 1.00 0.00 N ATOM 667 CA VAL A 42 17.390 -27.466 -6.186 1.00 0.00 C ATOM 668 C VAL A 42 17.766 -26.018 -5.823 1.00 0.00 C ATOM 669 O VAL A 42 16.934 -25.274 -5.292 1.00 0.00 O ATOM 670 CB VAL A 42 17.439 -27.689 -7.721 1.00 0.00 C ATOM 671 CG1 VAL A 42 17.421 -29.173 -8.112 1.00 0.00 C ATOM 672 CG2 VAL A 42 16.306 -26.971 -8.474 1.00 0.00 C ATOM 0 H VAL A 42 15.533 -26.798 -5.616 1.00 0.00 H new ATOM 0 HA VAL A 42 18.095 -28.182 -5.764 1.00 0.00 H new ATOM 0 HB VAL A 42 18.392 -27.253 -8.020 1.00 0.00 H new ATOM 0 HG11 VAL A 42 17.457 -29.264 -9.198 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.286 -29.674 -7.677 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.507 -29.636 -7.739 1.00 0.00 H new ATOM 0 HG21 VAL A 42 16.398 -27.167 -9.542 1.00 0.00 H new ATOM 0 HG22 VAL A 42 15.343 -27.338 -8.119 1.00 0.00 H new ATOM 0 HG23 VAL A 42 16.373 -25.898 -8.295 1.00 0.00 H new ATOM 682 N ALA A 43 18.987 -25.595 -6.159 1.00 0.00 N ATOM 683 CA ALA A 43 19.516 -24.260 -5.883 1.00 0.00 C ATOM 684 C ALA A 43 18.595 -23.110 -6.336 1.00 0.00 C ATOM 685 O ALA A 43 18.593 -22.055 -5.700 1.00 0.00 O ATOM 686 CB ALA A 43 20.880 -24.145 -6.568 1.00 0.00 C ATOM 0 H ALA A 43 19.655 -26.192 -6.646 1.00 0.00 H new ATOM 0 HA ALA A 43 19.595 -24.153 -4.801 1.00 0.00 H new ATOM 0 HB1 ALA A 43 21.300 -23.157 -6.379 1.00 0.00 H new ATOM 0 HB2 ALA A 43 21.552 -24.907 -6.172 1.00 0.00 H new ATOM 0 HB3 ALA A 43 20.761 -24.289 -7.642 1.00 0.00 H new ATOM 692 N GLY A 44 17.817 -23.302 -7.409 1.00 0.00 N ATOM 693 CA GLY A 44 16.936 -22.282 -7.981 1.00 0.00 C ATOM 694 C GLY A 44 15.449 -22.552 -7.747 1.00 0.00 C ATOM 695 O GLY A 44 14.612 -21.899 -8.377 1.00 0.00 O ATOM 0 H GLY A 44 17.783 -24.189 -7.912 1.00 0.00 H new ATOM 0 HA2 GLY A 44 17.192 -21.313 -7.553 1.00 0.00 H new ATOM 0 HA3 GLY A 44 17.120 -22.216 -9.053 1.00 0.00 H new ATOM 699 N ALA A 45 15.091 -23.509 -6.883 1.00 0.00 N ATOM 700 CA ALA A 45 13.706 -23.801 -6.518 1.00 0.00 C ATOM 701 C ALA A 45 13.224 -22.779 -5.475 1.00 0.00 C ATOM 702 O ALA A 45 12.929 -23.124 -4.330 1.00 0.00 O ATOM 703 CB ALA A 45 13.575 -25.251 -6.036 1.00 0.00 C ATOM 0 H ALA A 45 15.768 -24.110 -6.412 1.00 0.00 H new ATOM 0 HA ALA A 45 13.061 -23.706 -7.391 1.00 0.00 H new ATOM 0 HB1 ALA A 45 12.538 -25.453 -5.768 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.882 -25.928 -6.833 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.211 -25.404 -5.164 1.00 0.00 H new ATOM 709 N GLY A 46 13.202 -21.509 -5.871 1.00 0.00 N ATOM 710 CA GLY A 46 12.921 -20.358 -5.028 1.00 0.00 C ATOM 711 C GLY A 46 12.654 -19.168 -5.941 1.00 0.00 C ATOM 712 O GLY A 46 11.979 -19.328 -6.957 1.00 0.00 O ATOM 0 H GLY A 46 13.390 -21.245 -6.838 1.00 0.00 H new ATOM 0 HA2 GLY A 46 12.058 -20.552 -4.391 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.764 -20.152 -4.369 1.00 0.00 H new ATOM 716 N ALA A 47 13.209 -17.995 -5.618 1.00 0.00 N ATOM 717 CA ALA A 47 13.038 -16.762 -6.391 1.00 0.00 C ATOM 718 C ALA A 47 13.350 -16.919 -7.886 1.00 0.00 C ATOM 719 O ALA A 47 12.738 -16.239 -8.712 1.00 0.00 O ATOM 720 CB ALA A 47 13.937 -15.675 -5.794 1.00 0.00 C ATOM 0 H ALA A 47 13.801 -17.875 -4.796 1.00 0.00 H new ATOM 0 HA ALA A 47 11.985 -16.490 -6.325 1.00 0.00 H new ATOM 0 HB1 ALA A 47 13.818 -14.752 -6.362 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.656 -15.501 -4.755 1.00 0.00 H new ATOM 0 HB3 ALA A 47 14.977 -15.997 -5.840 1.00 0.00 H new ATOM 726 N ALA A 48 14.301 -17.793 -8.242 1.00 0.00 N ATOM 727 CA ALA A 48 14.693 -18.023 -9.629 1.00 0.00 C ATOM 728 C ALA A 48 13.627 -18.778 -10.440 1.00 0.00 C ATOM 729 O ALA A 48 13.688 -18.736 -11.670 1.00 0.00 O ATOM 730 CB ALA A 48 16.022 -18.787 -9.663 1.00 0.00 C ATOM 0 H ALA A 48 14.819 -18.360 -7.570 1.00 0.00 H new ATOM 0 HA ALA A 48 14.805 -17.046 -10.100 1.00 0.00 H new ATOM 0 HB1 ALA A 48 16.316 -18.960 -10.698 1.00 0.00 H new ATOM 0 HB2 ALA A 48 16.791 -18.201 -9.160 1.00 0.00 H new ATOM 0 HB3 ALA A 48 15.905 -19.744 -9.155 1.00 0.00 H new ATOM 736 N SER A 49 12.679 -19.461 -9.784 1.00 0.00 N ATOM 737 CA SER A 49 11.669 -20.327 -10.397 1.00 0.00 C ATOM 738 C SER A 49 12.261 -21.205 -11.517 1.00 0.00 C ATOM 739 O SER A 49 11.747 -21.223 -12.640 1.00 0.00 O ATOM 740 CB SER A 49 10.466 -19.483 -10.849 1.00 0.00 C ATOM 741 OG SER A 49 9.948 -18.708 -9.779 1.00 0.00 O ATOM 0 H SER A 49 12.594 -19.422 -8.768 1.00 0.00 H new ATOM 0 HA SER A 49 11.308 -21.034 -9.650 1.00 0.00 H new ATOM 0 HB2 SER A 49 10.766 -18.825 -11.665 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.686 -20.137 -11.238 1.00 0.00 H new ATOM 0 HG SER A 49 9.185 -18.181 -10.096 1.00 0.00 H new ATOM 747 N VAL A 50 13.395 -21.862 -11.236 1.00 0.00 N ATOM 748 CA VAL A 50 14.172 -22.587 -12.240 1.00 0.00 C ATOM 749 C VAL A 50 13.329 -23.679 -12.922 1.00 0.00 C ATOM 750 O VAL A 50 12.390 -24.220 -12.333 1.00 0.00 O ATOM 751 CB VAL A 50 15.477 -23.106 -11.596 1.00 0.00 C ATOM 752 CG1 VAL A 50 15.256 -24.300 -10.657 1.00 0.00 C ATOM 753 CG2 VAL A 50 16.545 -23.470 -12.636 1.00 0.00 C ATOM 0 H VAL A 50 13.798 -21.903 -10.300 1.00 0.00 H new ATOM 0 HA VAL A 50 14.459 -21.914 -13.048 1.00 0.00 H new ATOM 0 HB VAL A 50 15.838 -22.268 -11.000 1.00 0.00 H new ATOM 0 HG11 VAL A 50 16.212 -24.615 -10.238 1.00 0.00 H new ATOM 0 HG12 VAL A 50 14.585 -24.008 -9.849 1.00 0.00 H new ATOM 0 HG13 VAL A 50 14.815 -25.125 -11.216 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.440 -23.829 -12.128 1.00 0.00 H new ATOM 0 HG22 VAL A 50 16.162 -24.252 -13.292 1.00 0.00 H new ATOM 0 HG23 VAL A 50 16.792 -22.589 -13.228 1.00 0.00 H new ATOM 763 N MET A 51 13.683 -24.013 -14.167 1.00 0.00 N ATOM 764 CA MET A 51 12.956 -24.957 -15.011 1.00 0.00 C ATOM 765 C MET A 51 12.950 -26.382 -14.441 1.00 0.00 C ATOM 766 O MET A 51 12.082 -27.175 -14.808 1.00 0.00 O ATOM 767 CB MET A 51 13.546 -24.969 -16.434 1.00 0.00 C ATOM 768 CG MET A 51 13.490 -23.610 -17.151 1.00 0.00 C ATOM 769 SD MET A 51 14.736 -22.387 -16.639 1.00 0.00 S ATOM 770 CE MET A 51 14.261 -21.006 -17.714 1.00 0.00 C ATOM 0 H MET A 51 14.506 -23.622 -14.625 1.00 0.00 H new ATOM 0 HA MET A 51 11.921 -24.615 -15.041 1.00 0.00 H new ATOM 0 HB2 MET A 51 14.584 -25.297 -16.382 1.00 0.00 H new ATOM 0 HB3 MET A 51 13.009 -25.705 -17.032 1.00 0.00 H new ATOM 0 HG2 MET A 51 13.597 -23.782 -18.222 1.00 0.00 H new ATOM 0 HG3 MET A 51 12.501 -23.179 -16.994 1.00 0.00 H new ATOM 0 HE1 MET A 51 14.924 -20.160 -17.534 1.00 0.00 H new ATOM 0 HE2 MET A 51 14.339 -21.313 -18.757 1.00 0.00 H new ATOM 0 HE3 MET A 51 13.233 -20.714 -17.498 1.00 0.00 H new ATOM 780 N SER A 52 13.895 -26.733 -13.566 1.00 0.00 N ATOM 781 CA SER A 52 13.983 -28.045 -12.941 1.00 0.00 C ATOM 782 C SER A 52 12.673 -28.370 -12.210 1.00 0.00 C ATOM 783 O SER A 52 12.267 -27.637 -11.305 1.00 0.00 O ATOM 784 CB SER A 52 15.183 -28.068 -11.986 1.00 0.00 C ATOM 785 OG SER A 52 16.309 -27.433 -12.580 1.00 0.00 O ATOM 0 H SER A 52 14.634 -26.096 -13.269 1.00 0.00 H new ATOM 0 HA SER A 52 14.132 -28.811 -13.702 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.923 -27.564 -11.055 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.432 -29.098 -11.731 1.00 0.00 H new ATOM 0 HG SER A 52 17.064 -27.456 -11.956 1.00 0.00 H new ATOM 791 N ALA A 53 12.012 -29.460 -12.620 1.00 0.00 N ATOM 792 CA ALA A 53 10.684 -29.888 -12.174 1.00 0.00 C ATOM 793 C ALA A 53 9.584 -28.814 -12.290 1.00 0.00 C ATOM 794 O ALA A 53 8.506 -28.985 -11.715 1.00 0.00 O ATOM 795 CB ALA A 53 10.774 -30.503 -10.767 1.00 0.00 C ATOM 0 H ALA A 53 12.412 -30.099 -13.307 1.00 0.00 H new ATOM 0 HA ALA A 53 10.355 -30.657 -12.873 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.782 -30.818 -10.444 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.440 -31.366 -10.789 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.164 -29.761 -10.070 1.00 0.00 H new ATOM 801 N LEU A 54 9.805 -27.723 -13.035 1.00 0.00 N ATOM 802 CA LEU A 54 8.762 -26.749 -13.334 1.00 0.00 C ATOM 803 C LEU A 54 7.684 -27.477 -14.133 1.00 0.00 C ATOM 804 O LEU A 54 7.954 -28.022 -15.205 1.00 0.00 O ATOM 805 CB LEU A 54 9.339 -25.546 -14.095 1.00 0.00 C ATOM 806 CG LEU A 54 8.307 -24.445 -14.406 1.00 0.00 C ATOM 807 CD1 LEU A 54 7.671 -23.853 -13.140 1.00 0.00 C ATOM 808 CD2 LEU A 54 8.998 -23.323 -15.191 1.00 0.00 C ATOM 0 H LEU A 54 10.712 -27.496 -13.444 1.00 0.00 H new ATOM 0 HA LEU A 54 8.330 -26.343 -12.420 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.150 -25.114 -13.509 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.774 -25.896 -15.031 1.00 0.00 H new ATOM 0 HG LEU A 54 7.507 -24.901 -14.989 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.952 -23.083 -13.420 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.161 -24.641 -12.586 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.448 -23.414 -12.514 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.276 -22.538 -15.416 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.810 -22.908 -14.594 1.00 0.00 H new ATOM 0 HD23 LEU A 54 9.400 -23.724 -16.121 1.00 0.00 H new ATOM 820 N THR A 55 6.479 -27.513 -13.580 1.00 0.00 N ATOM 821 CA THR A 55 5.351 -28.313 -14.017 1.00 0.00 C ATOM 822 C THR A 55 4.099 -27.519 -13.626 1.00 0.00 C ATOM 823 O THR A 55 4.201 -26.414 -13.084 1.00 0.00 O ATOM 824 CB THR A 55 5.410 -29.700 -13.327 1.00 0.00 C ATOM 825 OG1 THR A 55 5.766 -29.590 -11.961 1.00 0.00 O ATOM 826 CG2 THR A 55 6.389 -30.669 -13.997 1.00 0.00 C ATOM 0 H THR A 55 6.253 -26.947 -12.762 1.00 0.00 H new ATOM 0 HA THR A 55 5.352 -28.500 -15.091 1.00 0.00 H new ATOM 0 HB THR A 55 4.401 -30.102 -13.424 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.721 -29.381 -11.888 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.381 -31.620 -13.465 1.00 0.00 H new ATOM 0 HG22 THR A 55 6.090 -30.830 -15.033 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.394 -30.247 -13.971 1.00 0.00 H new ATOM 834 N ASP A 56 2.904 -28.064 -13.851 1.00 0.00 N ATOM 835 CA ASP A 56 1.643 -27.440 -13.446 1.00 0.00 C ATOM 836 C ASP A 56 1.345 -27.587 -11.945 1.00 0.00 C ATOM 837 O ASP A 56 0.190 -27.622 -11.520 1.00 0.00 O ATOM 838 CB ASP A 56 0.488 -27.948 -14.316 1.00 0.00 C ATOM 839 CG ASP A 56 -0.017 -29.354 -13.936 1.00 0.00 C ATOM 840 OD1 ASP A 56 0.813 -30.275 -13.764 1.00 0.00 O ATOM 841 OD2 ASP A 56 -1.251 -29.565 -13.893 1.00 0.00 O ATOM 0 H ASP A 56 2.782 -28.959 -14.324 1.00 0.00 H new ATOM 0 HA ASP A 56 1.751 -26.368 -13.612 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.342 -27.245 -14.246 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.810 -27.959 -15.357 1.00 0.00 H new ATOM 846 N LYS A 57 2.395 -27.677 -11.136 1.00 0.00 N ATOM 847 CA LYS A 57 2.378 -27.939 -9.702 1.00 0.00 C ATOM 848 C LYS A 57 3.242 -26.920 -8.977 1.00 0.00 C ATOM 849 O LYS A 57 4.088 -26.256 -9.584 1.00 0.00 O ATOM 850 CB LYS A 57 2.968 -29.334 -9.449 1.00 0.00 C ATOM 851 CG LYS A 57 2.029 -30.453 -9.897 1.00 0.00 C ATOM 852 CD LYS A 57 2.821 -31.744 -10.124 1.00 0.00 C ATOM 853 CE LYS A 57 1.888 -32.873 -10.577 1.00 0.00 C ATOM 854 NZ LYS A 57 2.621 -34.137 -10.842 1.00 0.00 N ATOM 0 H LYS A 57 3.345 -27.561 -11.489 1.00 0.00 H new ATOM 0 HA LYS A 57 1.352 -27.877 -9.338 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.917 -29.426 -9.978 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.183 -29.447 -8.386 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.260 -30.617 -9.142 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.518 -30.164 -10.816 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.592 -31.577 -10.876 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.330 -32.032 -9.204 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.133 -33.047 -9.810 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.360 -32.565 -11.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.949 -34.871 -11.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.324 -33.980 -11.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.104 -34.447 -9.974 1.00 0.00 H new ATOM 868 N ALA A 58 3.074 -26.870 -7.661 1.00 0.00 N ATOM 869 CA ALA A 58 3.957 -26.140 -6.751 1.00 0.00 C ATOM 870 C ALA A 58 3.982 -26.824 -5.379 1.00 0.00 C ATOM 871 O ALA A 58 3.215 -27.754 -5.120 1.00 0.00 O ATOM 872 CB ALA A 58 3.525 -24.666 -6.663 1.00 0.00 C ATOM 0 H ALA A 58 2.307 -27.344 -7.185 1.00 0.00 H new ATOM 0 HA ALA A 58 4.976 -26.155 -7.138 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.189 -24.132 -5.983 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.577 -24.212 -7.652 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.502 -24.608 -6.291 1.00 0.00 H new ATOM 878 N ILE A 59 4.855 -26.361 -4.485 1.00 0.00 N ATOM 879 CA ILE A 59 4.982 -26.827 -3.106 1.00 0.00 C ATOM 880 C ILE A 59 5.111 -25.590 -2.225 1.00 0.00 C ATOM 881 O ILE A 59 5.649 -24.568 -2.649 1.00 0.00 O ATOM 882 CB ILE A 59 6.176 -27.814 -2.975 1.00 0.00 C ATOM 883 CG1 ILE A 59 5.720 -29.201 -3.464 1.00 0.00 C ATOM 884 CG2 ILE A 59 6.728 -27.939 -1.540 1.00 0.00 C ATOM 885 CD1 ILE A 59 6.733 -30.340 -3.312 1.00 0.00 C ATOM 0 H ILE A 59 5.520 -25.621 -4.712 1.00 0.00 H new ATOM 0 HA ILE A 59 4.108 -27.393 -2.785 1.00 0.00 H new ATOM 0 HB ILE A 59 6.988 -27.415 -3.583 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.814 -29.474 -2.923 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.450 -29.121 -4.517 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.558 -28.645 -1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.076 -26.964 -1.198 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.940 -28.296 -0.877 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.299 -31.266 -3.690 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.634 -30.104 -3.878 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.988 -30.462 -2.259 1.00 0.00 H new ATOM 897 N VAL A 60 4.620 -25.685 -0.994 1.00 0.00 N ATOM 898 CA VAL A 60 4.772 -24.633 0.005 1.00 0.00 C ATOM 899 C VAL A 60 6.152 -24.824 0.643 1.00 0.00 C ATOM 900 O VAL A 60 6.461 -25.920 1.108 1.00 0.00 O ATOM 901 CB VAL A 60 3.629 -24.722 1.041 1.00 0.00 C ATOM 902 CG1 VAL A 60 3.707 -23.564 2.046 1.00 0.00 C ATOM 903 CG2 VAL A 60 2.233 -24.682 0.395 1.00 0.00 C ATOM 0 H VAL A 60 4.103 -26.498 -0.659 1.00 0.00 H new ATOM 0 HA VAL A 60 4.710 -23.639 -0.437 1.00 0.00 H new ATOM 0 HB VAL A 60 3.763 -25.682 1.540 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.892 -23.650 2.764 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.660 -23.603 2.573 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.625 -22.615 1.515 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.471 -24.748 1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.112 -23.748 -0.153 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.125 -25.522 -0.291 1.00 0.00 H new ATOM 913 N LYS A 61 6.971 -23.774 0.716 1.00 0.00 N ATOM 914 CA LYS A 61 8.287 -23.784 1.359 1.00 0.00 C ATOM 915 C LYS A 61 8.380 -22.631 2.347 1.00 0.00 C ATOM 916 O LYS A 61 7.543 -21.727 2.334 1.00 0.00 O ATOM 917 CB LYS A 61 9.413 -23.685 0.311 1.00 0.00 C ATOM 918 CG LYS A 61 9.579 -25.006 -0.442 1.00 0.00 C ATOM 919 CD LYS A 61 10.855 -25.012 -1.302 1.00 0.00 C ATOM 920 CE LYS A 61 10.807 -26.033 -2.450 1.00 0.00 C ATOM 921 NZ LYS A 61 10.606 -27.432 -2.004 1.00 0.00 N ATOM 0 H LYS A 61 6.731 -22.866 0.318 1.00 0.00 H new ATOM 0 HA LYS A 61 8.408 -24.727 1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.188 -22.886 -0.395 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.350 -23.422 0.802 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.616 -25.830 0.271 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.710 -25.174 -1.078 1.00 0.00 H new ATOM 0 HD2 LYS A 61 11.011 -24.016 -1.717 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.713 -25.230 -0.666 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.001 -25.760 -3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.737 -25.973 -3.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.652 -28.068 -2.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.349 -27.690 -1.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.675 -27.521 -1.549 1.00 0.00 H new ATOM 935 N LYS A 62 9.416 -22.659 3.181 1.00 0.00 N ATOM 936 CA LYS A 62 9.752 -21.592 4.122 1.00 0.00 C ATOM 937 C LYS A 62 11.192 -21.195 3.830 1.00 0.00 C ATOM 938 O LYS A 62 12.051 -22.075 3.742 1.00 0.00 O ATOM 939 CB LYS A 62 9.561 -22.071 5.575 1.00 0.00 C ATOM 940 CG LYS A 62 9.966 -21.008 6.613 1.00 0.00 C ATOM 941 CD LYS A 62 9.803 -21.529 8.049 1.00 0.00 C ATOM 942 CE LYS A 62 10.408 -20.526 9.042 1.00 0.00 C ATOM 943 NZ LYS A 62 10.319 -20.999 10.446 1.00 0.00 N ATOM 0 H LYS A 62 10.064 -23.446 3.223 1.00 0.00 H new ATOM 0 HA LYS A 62 9.097 -20.729 4.004 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.517 -22.343 5.729 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.152 -22.973 5.736 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.002 -20.713 6.448 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.355 -20.115 6.478 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.747 -21.682 8.272 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.294 -22.497 8.152 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.453 -20.350 8.786 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.892 -19.570 8.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.678 -20.261 11.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.327 -21.207 10.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.890 -21.861 10.559 1.00 0.00 H new ATOM 957 N GLU A 63 11.457 -19.901 3.661 1.00 0.00 N ATOM 958 CA GLU A 63 12.751 -19.367 3.246 1.00 0.00 C ATOM 959 C GLU A 63 12.937 -17.983 3.877 1.00 0.00 C ATOM 960 O GLU A 63 11.975 -17.358 4.327 1.00 0.00 O ATOM 961 CB GLU A 63 12.835 -19.282 1.707 1.00 0.00 C ATOM 962 CG GLU A 63 12.848 -20.665 1.035 1.00 0.00 C ATOM 963 CD GLU A 63 13.184 -20.589 -0.462 1.00 0.00 C ATOM 964 OE1 GLU A 63 12.251 -20.404 -1.274 1.00 0.00 O ATOM 965 OE2 GLU A 63 14.371 -20.756 -0.826 1.00 0.00 O ATOM 0 H GLU A 63 10.757 -19.175 3.814 1.00 0.00 H new ATOM 0 HA GLU A 63 13.547 -20.031 3.583 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.987 -18.709 1.332 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.737 -18.738 1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.577 -21.302 1.536 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.873 -21.136 1.162 1.00 0.00 H new ATOM 972 N LEU A 64 14.182 -17.510 3.952 1.00 0.00 N ATOM 973 CA LEU A 64 14.510 -16.183 4.470 1.00 0.00 C ATOM 974 C LEU A 64 14.070 -15.136 3.440 1.00 0.00 C ATOM 975 O LEU A 64 14.407 -15.265 2.260 1.00 0.00 O ATOM 976 CB LEU A 64 16.024 -16.127 4.752 1.00 0.00 C ATOM 977 CG LEU A 64 16.505 -14.884 5.522 1.00 0.00 C ATOM 978 CD1 LEU A 64 15.876 -14.766 6.915 1.00 0.00 C ATOM 979 CD2 LEU A 64 18.027 -14.953 5.705 1.00 0.00 C ATOM 0 H LEU A 64 14.998 -18.043 3.652 1.00 0.00 H new ATOM 0 HA LEU A 64 13.988 -15.974 5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 64 16.304 -17.015 5.318 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.556 -16.173 3.802 1.00 0.00 H new ATOM 0 HG LEU A 64 16.204 -14.018 4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 64 16.253 -13.871 7.410 1.00 0.00 H new ATOM 0 HD12 LEU A 64 14.792 -14.699 6.820 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.135 -15.644 7.507 1.00 0.00 H new ATOM 0 HD21 LEU A 64 18.368 -14.073 6.250 1.00 0.00 H new ATOM 0 HD22 LEU A 64 18.286 -15.851 6.267 1.00 0.00 H new ATOM 0 HD23 LEU A 64 18.510 -14.984 4.728 1.00 0.00 H new ATOM 991 N LEU A 65 13.335 -14.102 3.870 1.00 0.00 N ATOM 992 CA LEU A 65 12.669 -13.139 2.986 1.00 0.00 C ATOM 993 C LEU A 65 13.628 -12.523 1.982 1.00 0.00 C ATOM 994 O LEU A 65 13.244 -12.366 0.828 1.00 0.00 O ATOM 995 CB LEU A 65 11.953 -12.050 3.814 1.00 0.00 C ATOM 996 CG LEU A 65 11.166 -11.006 2.982 1.00 0.00 C ATOM 997 CD1 LEU A 65 10.004 -10.435 3.809 1.00 0.00 C ATOM 998 CD2 LEU A 65 12.012 -9.796 2.550 1.00 0.00 C ATOM 0 H LEU A 65 13.184 -13.909 4.860 1.00 0.00 H new ATOM 0 HA LEU A 65 11.921 -13.686 2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.264 -12.535 4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 65 12.695 -11.527 4.417 1.00 0.00 H new ATOM 0 HG LEU A 65 10.830 -11.546 2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.459 -9.703 3.213 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.331 -11.243 4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.397 -9.954 4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.395 -9.108 1.972 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.394 -9.285 3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.847 -10.136 1.938 1.00 0.00 H new ATOM 1010 N TYR A 66 14.853 -12.186 2.396 1.00 0.00 N ATOM 1011 CA TYR A 66 15.809 -11.486 1.541 1.00 0.00 C ATOM 1012 C TYR A 66 16.063 -12.252 0.234 1.00 0.00 C ATOM 1013 O TYR A 66 16.208 -11.630 -0.819 1.00 0.00 O ATOM 1014 CB TYR A 66 17.104 -11.177 2.318 1.00 0.00 C ATOM 1015 CG TYR A 66 18.330 -11.955 1.876 1.00 0.00 C ATOM 1016 CD1 TYR A 66 18.566 -13.245 2.381 1.00 0.00 C ATOM 1017 CD2 TYR A 66 19.198 -11.409 0.913 1.00 0.00 C ATOM 1018 CE1 TYR A 66 19.674 -13.991 1.940 1.00 0.00 C ATOM 1019 CE2 TYR A 66 20.310 -12.144 0.465 1.00 0.00 C ATOM 1020 CZ TYR A 66 20.555 -13.440 0.979 1.00 0.00 C ATOM 1021 OH TYR A 66 21.634 -14.145 0.534 1.00 0.00 O ATOM 0 H TYR A 66 15.207 -12.391 3.331 1.00 0.00 H new ATOM 0 HA TYR A 66 15.377 -10.529 1.248 1.00 0.00 H new ATOM 0 HB2 TYR A 66 17.318 -10.112 2.226 1.00 0.00 H new ATOM 0 HB3 TYR A 66 16.930 -11.377 3.375 1.00 0.00 H new ATOM 0 HD1 TYR A 66 17.892 -13.666 3.112 1.00 0.00 H new ATOM 0 HD2 TYR A 66 19.010 -10.422 0.516 1.00 0.00 H new ATOM 0 HE1 TYR A 66 19.852 -14.981 2.333 1.00 0.00 H new ATOM 0 HE2 TYR A 66 20.977 -11.720 -0.271 1.00 0.00 H new ATOM 0 HH TYR A 66 22.125 -13.610 -0.124 1.00 0.00 H new ATOM 1031 N ASP A 67 16.080 -13.590 0.280 1.00 0.00 N ATOM 1032 CA ASP A 67 16.308 -14.402 -0.910 1.00 0.00 C ATOM 1033 C ASP A 67 15.088 -14.344 -1.824 1.00 0.00 C ATOM 1034 O ASP A 67 15.231 -14.161 -3.031 1.00 0.00 O ATOM 1035 CB ASP A 67 16.601 -15.857 -0.535 1.00 0.00 C ATOM 1036 CG ASP A 67 16.820 -16.692 -1.809 1.00 0.00 C ATOM 1037 OD1 ASP A 67 17.938 -16.653 -2.371 1.00 0.00 O ATOM 1038 OD2 ASP A 67 15.886 -17.404 -2.239 1.00 0.00 O ATOM 0 H ASP A 67 15.938 -14.130 1.134 1.00 0.00 H new ATOM 0 HA ASP A 67 17.175 -13.999 -1.433 1.00 0.00 H new ATOM 0 HB2 ASP A 67 17.486 -15.907 0.100 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.772 -16.267 0.041 1.00 0.00 H new ATOM 1043 N VAL A 68 13.887 -14.434 -1.243 1.00 0.00 N ATOM 1044 CA VAL A 68 12.631 -14.417 -1.982 1.00 0.00 C ATOM 1045 C VAL A 68 12.439 -13.041 -2.636 1.00 0.00 C ATOM 1046 O VAL A 68 12.151 -12.957 -3.831 1.00 0.00 O ATOM 1047 CB VAL A 68 11.459 -14.813 -1.054 1.00 0.00 C ATOM 1048 CG1 VAL A 68 10.207 -15.093 -1.893 1.00 0.00 C ATOM 1049 CG2 VAL A 68 11.762 -16.081 -0.234 1.00 0.00 C ATOM 0 H VAL A 68 13.764 -14.522 -0.234 1.00 0.00 H new ATOM 0 HA VAL A 68 12.656 -15.156 -2.783 1.00 0.00 H new ATOM 0 HB VAL A 68 11.306 -13.979 -0.370 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.383 -15.372 -1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.937 -14.198 -2.454 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.409 -15.909 -2.587 1.00 0.00 H new ATOM 0 HG21 VAL A 68 10.908 -16.316 0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 68 11.952 -16.915 -0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.641 -15.911 0.388 1.00 0.00 H new ATOM 1059 N ALA A 69 12.675 -11.957 -1.891 1.00 0.00 N ATOM 1060 CA ALA A 69 12.639 -10.588 -2.393 1.00 0.00 C ATOM 1061 C ALA A 69 13.689 -10.348 -3.482 1.00 0.00 C ATOM 1062 O ALA A 69 13.512 -9.457 -4.314 1.00 0.00 O ATOM 1063 CB ALA A 69 12.861 -9.624 -1.227 1.00 0.00 C ATOM 0 H ALA A 69 12.902 -12.013 -0.898 1.00 0.00 H new ATOM 0 HA ALA A 69 11.662 -10.415 -2.845 1.00 0.00 H new ATOM 0 HB1 ALA A 69 12.836 -8.598 -1.593 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.075 -9.764 -0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 69 13.831 -9.822 -0.770 1.00 0.00 H new ATOM 1069 N GLY A 70 14.751 -11.161 -3.513 1.00 0.00 N ATOM 1070 CA GLY A 70 15.767 -11.175 -4.554 1.00 0.00 C ATOM 1071 C GLY A 70 15.202 -11.429 -5.955 1.00 0.00 C ATOM 1072 O GLY A 70 15.926 -11.229 -6.932 1.00 0.00 O ATOM 0 H GLY A 70 14.927 -11.851 -2.783 1.00 0.00 H new ATOM 0 HA2 GLY A 70 16.293 -10.220 -4.550 1.00 0.00 H new ATOM 0 HA3 GLY A 70 16.503 -11.945 -4.322 1.00 0.00 H new ATOM 1076 N SER A 71 13.931 -11.840 -6.071 1.00 0.00 N ATOM 1077 CA SER A 71 13.203 -11.903 -7.330 1.00 0.00 C ATOM 1078 C SER A 71 13.341 -10.584 -8.104 1.00 0.00 C ATOM 1079 O SER A 71 13.747 -10.593 -9.266 1.00 0.00 O ATOM 1080 CB SER A 71 11.731 -12.211 -7.043 1.00 0.00 C ATOM 1081 OG SER A 71 11.573 -13.456 -6.378 1.00 0.00 O ATOM 0 H SER A 71 13.376 -12.143 -5.271 1.00 0.00 H new ATOM 0 HA SER A 71 13.623 -12.695 -7.950 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.306 -11.415 -6.431 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.173 -12.226 -7.979 1.00 0.00 H new ATOM 0 HG SER A 71 11.789 -13.349 -5.428 1.00 0.00 H new ATOM 1087 N ASP A 72 13.057 -9.460 -7.443 1.00 0.00 N ATOM 1088 CA ASP A 72 13.318 -8.102 -7.911 1.00 0.00 C ATOM 1089 C ASP A 72 13.161 -7.113 -6.766 1.00 0.00 C ATOM 1090 O ASP A 72 14.060 -6.317 -6.493 1.00 0.00 O ATOM 1091 CB ASP A 72 12.350 -7.708 -9.031 1.00 0.00 C ATOM 1092 CG ASP A 72 12.687 -6.322 -9.592 1.00 0.00 C ATOM 1093 OD1 ASP A 72 13.812 -6.122 -10.104 1.00 0.00 O ATOM 1094 OD2 ASP A 72 11.808 -5.436 -9.547 1.00 0.00 O ATOM 0 H ASP A 72 12.618 -9.475 -6.523 1.00 0.00 H new ATOM 0 HA ASP A 72 14.339 -8.077 -8.293 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.394 -8.448 -9.831 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.329 -7.711 -8.650 1.00 0.00 H new ATOM 1099 N LYS A 73 12.013 -7.190 -6.096 1.00 0.00 N ATOM 1100 CA LYS A 73 11.514 -6.230 -5.120 1.00 0.00 C ATOM 1101 C LYS A 73 10.467 -6.936 -4.256 1.00 0.00 C ATOM 1102 O LYS A 73 10.073 -8.062 -4.570 1.00 0.00 O ATOM 1103 CB LYS A 73 10.880 -5.065 -5.910 1.00 0.00 C ATOM 1104 CG LYS A 73 11.896 -3.996 -6.336 1.00 0.00 C ATOM 1105 CD LYS A 73 11.248 -2.642 -6.676 1.00 0.00 C ATOM 1106 CE LYS A 73 10.235 -2.665 -7.835 1.00 0.00 C ATOM 1107 NZ LYS A 73 10.872 -2.897 -9.154 1.00 0.00 N ATOM 0 H LYS A 73 11.370 -7.971 -6.229 1.00 0.00 H new ATOM 0 HA LYS A 73 12.303 -5.847 -4.473 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.388 -5.463 -6.798 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.107 -4.599 -5.299 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.620 -3.853 -5.534 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.448 -4.355 -7.204 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.746 -2.265 -5.785 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.038 -1.932 -6.921 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.498 -3.446 -7.651 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.696 -1.718 -7.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.137 -2.970 -9.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.506 -2.104 -9.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.420 -3.780 -9.124 1.00 0.00 H new ATOM 1121 N TYR A 74 9.957 -6.290 -3.206 1.00 0.00 N ATOM 1122 CA TYR A 74 8.837 -6.812 -2.426 1.00 0.00 C ATOM 1123 C TYR A 74 8.055 -5.672 -1.768 1.00 0.00 C ATOM 1124 O TYR A 74 8.526 -4.531 -1.746 1.00 0.00 O ATOM 1125 CB TYR A 74 9.340 -7.833 -1.393 1.00 0.00 C ATOM 1126 CG TYR A 74 9.917 -7.256 -0.107 1.00 0.00 C ATOM 1127 CD1 TYR A 74 11.222 -6.726 -0.075 1.00 0.00 C ATOM 1128 CD2 TYR A 74 9.141 -7.260 1.070 1.00 0.00 C ATOM 1129 CE1 TYR A 74 11.766 -6.254 1.133 1.00 0.00 C ATOM 1130 CE2 TYR A 74 9.676 -6.791 2.282 1.00 0.00 C ATOM 1131 CZ TYR A 74 11.001 -6.300 2.322 1.00 0.00 C ATOM 1132 OH TYR A 74 11.551 -5.879 3.496 1.00 0.00 O ATOM 0 H TYR A 74 10.309 -5.392 -2.874 1.00 0.00 H new ATOM 0 HA TYR A 74 8.149 -7.328 -3.096 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.513 -8.493 -1.132 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.104 -8.451 -1.865 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.807 -6.682 -0.982 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.126 -7.627 1.040 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.770 -5.856 1.153 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.077 -6.806 3.180 1.00 0.00 H new ATOM 0 HH TYR A 74 10.895 -5.974 4.217 1.00 0.00 H new ATOM 1142 N GLN A 75 6.869 -5.982 -1.238 1.00 0.00 N ATOM 1143 CA GLN A 75 5.988 -5.068 -0.516 1.00 0.00 C ATOM 1144 C GLN A 75 5.296 -5.853 0.612 1.00 0.00 C ATOM 1145 O GLN A 75 5.273 -7.085 0.587 1.00 0.00 O ATOM 1146 CB GLN A 75 4.920 -4.445 -1.454 1.00 0.00 C ATOM 1147 CG GLN A 75 5.372 -4.097 -2.884 1.00 0.00 C ATOM 1148 CD GLN A 75 4.300 -3.325 -3.658 1.00 0.00 C ATOM 1149 OE1 GLN A 75 4.154 -2.119 -3.491 1.00 0.00 O ATOM 1150 NE2 GLN A 75 3.541 -3.956 -4.539 1.00 0.00 N ATOM 0 H GLN A 75 6.481 -6.923 -1.305 1.00 0.00 H new ATOM 0 HA GLN A 75 6.583 -4.250 -0.109 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.081 -5.138 -1.522 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.545 -3.535 -0.985 1.00 0.00 H new ATOM 0 HG2 GLN A 75 6.285 -3.503 -2.840 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.615 -5.015 -3.420 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.655 -4.959 -4.685 1.00 0.00 H new ATOM 0 HE22 GLN A 75 2.842 -3.439 -5.072 1.00 0.00 H new ATOM 1159 N VAL A 76 4.679 -5.151 1.565 1.00 0.00 N ATOM 1160 CA VAL A 76 3.791 -5.730 2.577 1.00 0.00 C ATOM 1161 C VAL A 76 2.382 -5.301 2.156 1.00 0.00 C ATOM 1162 O VAL A 76 2.179 -4.116 1.871 1.00 0.00 O ATOM 1163 CB VAL A 76 4.155 -5.211 3.984 1.00 0.00 C ATOM 1164 CG1 VAL A 76 3.356 -5.963 5.054 1.00 0.00 C ATOM 1165 CG2 VAL A 76 5.647 -5.357 4.315 1.00 0.00 C ATOM 0 H VAL A 76 4.785 -4.141 1.657 1.00 0.00 H new ATOM 0 HA VAL A 76 3.875 -6.815 2.635 1.00 0.00 H new ATOM 0 HB VAL A 76 3.908 -4.149 3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.624 -5.585 6.041 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.290 -5.812 4.885 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.585 -7.027 4.998 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.836 -4.974 5.318 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.929 -6.409 4.269 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.237 -4.792 3.593 1.00 0.00 H new ATOM 1175 N ASN A 77 1.424 -6.231 2.052 1.00 0.00 N ATOM 1176 CA ASN A 77 0.129 -5.930 1.436 1.00 0.00 C ATOM 1177 C ASN A 77 -0.986 -6.891 1.867 1.00 0.00 C ATOM 1178 O ASN A 77 -1.497 -7.658 1.050 1.00 0.00 O ATOM 1179 CB ASN A 77 0.270 -5.886 -0.101 1.00 0.00 C ATOM 1180 CG ASN A 77 -0.989 -5.361 -0.796 1.00 0.00 C ATOM 1181 OD1 ASN A 77 -1.896 -4.805 -0.179 1.00 0.00 O ATOM 1182 ND2 ASN A 77 -1.051 -5.485 -2.108 1.00 0.00 N ATOM 0 H ASN A 77 1.521 -7.190 2.384 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.175 -4.947 1.796 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.117 -5.253 -0.366 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.493 -6.887 -0.470 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.855 -5.118 -2.617 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.295 -5.947 -2.613 1.00 0.00 H new ATOM 1189 N ASN A 78 -1.352 -6.909 3.156 1.00 0.00 N ATOM 1190 CA ASN A 78 -2.579 -7.590 3.584 1.00 0.00 C ATOM 1191 C ASN A 78 -3.743 -6.996 2.780 1.00 0.00 C ATOM 1192 O ASN A 78 -3.891 -5.776 2.675 1.00 0.00 O ATOM 1193 CB ASN A 78 -2.820 -7.540 5.102 1.00 0.00 C ATOM 1194 CG ASN A 78 -2.748 -6.138 5.697 1.00 0.00 C ATOM 1195 OD1 ASN A 78 -3.692 -5.360 5.637 1.00 0.00 O ATOM 1196 ND2 ASN A 78 -1.619 -5.794 6.289 1.00 0.00 N ATOM 0 H ASN A 78 -0.825 -6.467 3.909 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.484 -8.656 3.377 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -3.800 -7.965 5.318 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.083 -8.172 5.597 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -1.523 -4.868 6.705 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.843 -6.454 6.330 1.00 0.00 H new ATOM 1203 N LYS A 79 -4.529 -7.881 2.165 1.00 0.00 N ATOM 1204 CA LYS A 79 -5.497 -7.503 1.135 1.00 0.00 C ATOM 1205 C LYS A 79 -6.672 -6.697 1.698 1.00 0.00 C ATOM 1206 O LYS A 79 -6.918 -5.582 1.239 1.00 0.00 O ATOM 1207 CB LYS A 79 -5.956 -8.764 0.373 1.00 0.00 C ATOM 1208 CG LYS A 79 -6.429 -8.456 -1.057 1.00 0.00 C ATOM 1209 CD LYS A 79 -5.264 -8.289 -2.047 1.00 0.00 C ATOM 1210 CE LYS A 79 -5.818 -7.941 -3.434 1.00 0.00 C ATOM 1211 NZ LYS A 79 -4.763 -7.916 -4.475 1.00 0.00 N ATOM 0 H LYS A 79 -4.512 -8.881 2.367 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.005 -6.833 0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.134 -9.478 0.333 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.766 -9.241 0.924 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.079 -9.260 -1.401 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.026 -7.544 -1.049 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.591 -7.503 -1.704 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.680 -9.208 -2.097 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.580 -8.669 -3.711 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.307 -6.968 -3.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.196 -7.743 -5.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.084 -7.157 -4.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.267 -8.830 -4.489 1.00 0.00 H new ATOM 1225 N HIS A 80 -7.383 -7.243 2.692 1.00 0.00 N ATOM 1226 CA HIS A 80 -8.607 -6.669 3.252 1.00 0.00 C ATOM 1227 C HIS A 80 -8.665 -6.938 4.749 1.00 0.00 C ATOM 1228 O HIS A 80 -9.708 -7.314 5.277 1.00 0.00 O ATOM 1229 CB HIS A 80 -9.857 -7.227 2.557 1.00 0.00 C ATOM 1230 CG HIS A 80 -9.959 -6.941 1.082 1.00 0.00 C ATOM 1231 ND1 HIS A 80 -10.430 -5.755 0.510 1.00 0.00 N ATOM 1232 CD2 HIS A 80 -9.643 -7.823 0.091 1.00 0.00 C ATOM 1233 CE1 HIS A 80 -10.379 -5.953 -0.820 1.00 0.00 C ATOM 1234 NE2 HIS A 80 -9.914 -7.185 -1.098 1.00 0.00 N ATOM 0 H HIS A 80 -7.114 -8.119 3.139 1.00 0.00 H new ATOM 0 HA HIS A 80 -8.589 -5.593 3.081 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.881 -8.307 2.703 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.739 -6.819 3.051 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.257 -8.824 0.215 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -10.671 -5.224 -1.562 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -9.785 -7.578 -2.030 1.00 0.00 H new ATOM 1242 N ASP A 81 -7.565 -6.723 5.467 1.00 0.00 N ATOM 1243 CA ASP A 81 -7.534 -6.822 6.932 1.00 0.00 C ATOM 1244 C ASP A 81 -8.503 -5.840 7.620 1.00 0.00 C ATOM 1245 O ASP A 81 -8.748 -5.927 8.822 1.00 0.00 O ATOM 1246 CB ASP A 81 -6.103 -6.566 7.409 1.00 0.00 C ATOM 1247 CG ASP A 81 -5.939 -6.836 8.907 1.00 0.00 C ATOM 1248 OD1 ASP A 81 -5.973 -8.025 9.293 1.00 0.00 O ATOM 1249 OD2 ASP A 81 -5.680 -5.886 9.682 1.00 0.00 O ATOM 0 H ASP A 81 -6.667 -6.475 5.053 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.862 -7.824 7.207 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.416 -7.200 6.849 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.829 -5.533 7.195 1.00 0.00 H new ATOM 1254 N ASP A 82 -9.069 -4.898 6.855 1.00 0.00 N ATOM 1255 CA ASP A 82 -10.060 -3.931 7.336 1.00 0.00 C ATOM 1256 C ASP A 82 -11.478 -4.509 7.254 1.00 0.00 C ATOM 1257 O ASP A 82 -12.374 -4.054 7.967 1.00 0.00 O ATOM 1258 CB ASP A 82 -9.974 -2.647 6.500 1.00 0.00 C ATOM 1259 CG ASP A 82 -10.944 -1.565 7.005 1.00 0.00 C ATOM 1260 OD1 ASP A 82 -10.767 -1.070 8.141 1.00 0.00 O ATOM 1261 OD2 ASP A 82 -11.853 -1.167 6.243 1.00 0.00 O ATOM 0 H ASP A 82 -8.846 -4.786 5.866 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.843 -3.706 8.380 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.955 -2.263 6.530 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.198 -2.877 5.458 1.00 0.00 H new ATOM 1266 N LYS A 83 -11.686 -5.524 6.402 1.00 0.00 N ATOM 1267 CA LYS A 83 -12.999 -6.115 6.126 1.00 0.00 C ATOM 1268 C LYS A 83 -13.076 -7.555 6.640 1.00 0.00 C ATOM 1269 O LYS A 83 -14.169 -8.036 6.944 1.00 0.00 O ATOM 1270 CB LYS A 83 -13.285 -6.107 4.609 1.00 0.00 C ATOM 1271 CG LYS A 83 -12.901 -4.846 3.831 1.00 0.00 C ATOM 1272 CD LYS A 83 -13.609 -3.597 4.363 1.00 0.00 C ATOM 1273 CE LYS A 83 -13.258 -2.440 3.431 1.00 0.00 C ATOM 1274 NZ LYS A 83 -13.554 -1.124 4.044 1.00 0.00 N ATOM 0 H LYS A 83 -10.930 -5.964 5.877 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.745 -5.513 6.645 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.761 -6.952 4.162 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -14.351 -6.281 4.465 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.822 -4.701 3.888 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -13.150 -4.981 2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -14.688 -3.751 4.394 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.289 -3.379 5.382 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.200 -2.490 3.173 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.818 -2.541 2.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.496 -0.382 3.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.511 -1.138 4.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.862 -0.928 4.795 1.00 0.00 H new ATOM 1288 N TYR A 84 -11.929 -8.229 6.742 1.00 0.00 N ATOM 1289 CA TYR A 84 -11.790 -9.657 7.002 1.00 0.00 C ATOM 1290 C TYR A 84 -10.575 -9.895 7.907 1.00 0.00 C ATOM 1291 O TYR A 84 -10.042 -8.962 8.509 1.00 0.00 O ATOM 1292 CB TYR A 84 -11.657 -10.386 5.648 1.00 0.00 C ATOM 1293 CG TYR A 84 -12.911 -10.340 4.800 1.00 0.00 C ATOM 1294 CD1 TYR A 84 -14.059 -11.024 5.236 1.00 0.00 C ATOM 1295 CD2 TYR A 84 -12.938 -9.618 3.594 1.00 0.00 C ATOM 1296 CE1 TYR A 84 -15.240 -10.985 4.476 1.00 0.00 C ATOM 1297 CE2 TYR A 84 -14.116 -9.570 2.826 1.00 0.00 C ATOM 1298 CZ TYR A 84 -15.274 -10.254 3.264 1.00 0.00 C ATOM 1299 OH TYR A 84 -16.410 -10.200 2.512 1.00 0.00 O ATOM 0 H TYR A 84 -11.026 -7.766 6.639 1.00 0.00 H new ATOM 0 HA TYR A 84 -12.664 -10.050 7.521 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.834 -9.942 5.087 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -11.392 -11.427 5.832 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -14.033 -11.582 6.160 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -12.053 -9.099 3.256 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -16.120 -11.511 4.816 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -14.136 -9.011 1.902 1.00 0.00 H new ATOM 0 HH TYR A 84 -16.249 -9.652 1.715 1.00 0.00 H new ATOM 1309 N SER A 85 -10.132 -11.153 7.988 1.00 0.00 N ATOM 1310 CA SER A 85 -8.979 -11.597 8.772 1.00 0.00 C ATOM 1311 C SER A 85 -9.089 -11.264 10.272 1.00 0.00 C ATOM 1312 O SER A 85 -8.252 -10.536 10.811 1.00 0.00 O ATOM 1313 CB SER A 85 -7.674 -11.090 8.149 1.00 0.00 C ATOM 1314 OG SER A 85 -7.644 -11.343 6.754 1.00 0.00 O ATOM 0 H SER A 85 -10.585 -11.919 7.489 1.00 0.00 H new ATOM 0 HA SER A 85 -8.969 -12.686 8.732 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.572 -10.020 8.330 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.825 -11.577 8.629 1.00 0.00 H new ATOM 0 HG SER A 85 -6.988 -10.752 6.328 1.00 0.00 H new ATOM 1320 N PRO A 86 -10.088 -11.814 10.990 1.00 0.00 N ATOM 1321 CA PRO A 86 -10.183 -11.664 12.442 1.00 0.00 C ATOM 1322 C PRO A 86 -9.099 -12.422 13.218 1.00 0.00 C ATOM 1323 O PRO A 86 -8.957 -12.253 14.431 1.00 0.00 O ATOM 1324 CB PRO A 86 -11.571 -12.194 12.804 1.00 0.00 C ATOM 1325 CG PRO A 86 -11.854 -13.239 11.726 1.00 0.00 C ATOM 1326 CD PRO A 86 -11.165 -12.662 10.494 1.00 0.00 C ATOM 0 HA PRO A 86 -10.033 -10.620 12.718 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.584 -12.634 13.801 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.317 -11.399 12.797 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -11.449 -14.215 11.994 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -12.924 -13.372 11.564 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -10.774 -13.457 9.859 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.866 -12.087 9.889 1.00 0.00 H new ATOM 1334 N LEU A 87 -8.375 -13.294 12.525 1.00 0.00 N ATOM 1335 CA LEU A 87 -7.432 -14.239 13.102 1.00 0.00 C ATOM 1336 C LEU A 87 -6.247 -13.495 13.735 1.00 0.00 C ATOM 1337 O LEU A 87 -5.685 -12.611 13.082 1.00 0.00 O ATOM 1338 CB LEU A 87 -6.929 -15.175 11.994 1.00 0.00 C ATOM 1339 CG LEU A 87 -8.028 -16.003 11.303 1.00 0.00 C ATOM 1340 CD1 LEU A 87 -7.399 -16.879 10.214 1.00 0.00 C ATOM 1341 CD2 LEU A 87 -8.800 -16.900 12.280 1.00 0.00 C ATOM 0 H LEU A 87 -8.432 -13.363 11.509 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.929 -14.817 13.881 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.414 -14.580 11.240 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.193 -15.857 12.420 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.738 -15.296 10.874 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.177 -17.465 9.725 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.905 -16.245 9.478 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.668 -17.550 10.664 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.561 -17.459 11.736 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.110 -17.596 12.758 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.278 -16.283 13.041 1.00 0.00 H new ATOM 1353 N PRO A 88 -5.838 -13.833 14.974 1.00 0.00 N ATOM 1354 CA PRO A 88 -4.588 -13.349 15.549 1.00 0.00 C ATOM 1355 C PRO A 88 -3.395 -13.734 14.670 1.00 0.00 C ATOM 1356 O PRO A 88 -3.404 -14.791 14.026 1.00 0.00 O ATOM 1357 CB PRO A 88 -4.475 -13.997 16.934 1.00 0.00 C ATOM 1358 CG PRO A 88 -5.910 -14.384 17.283 1.00 0.00 C ATOM 1359 CD PRO A 88 -6.543 -14.676 15.925 1.00 0.00 C ATOM 0 HA PRO A 88 -4.584 -12.261 15.619 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -3.821 -14.869 16.914 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.060 -13.304 17.666 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.943 -15.256 17.936 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.428 -13.577 17.802 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.442 -15.730 15.664 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.609 -14.450 15.933 1.00 0.00 H new ATOM 1367 N CYS A 89 -2.330 -12.926 14.711 1.00 0.00 N ATOM 1368 CA CYS A 89 -1.084 -13.205 14.002 1.00 0.00 C ATOM 1369 C CYS A 89 -0.554 -14.598 14.347 1.00 0.00 C ATOM 1370 O CYS A 89 -0.150 -15.329 13.445 1.00 0.00 O ATOM 1371 CB CYS A 89 -0.047 -12.106 14.287 1.00 0.00 C ATOM 1372 SG CYS A 89 0.096 -11.747 16.067 1.00 0.00 S ATOM 0 H CYS A 89 -2.312 -12.055 15.242 1.00 0.00 H new ATOM 0 HA CYS A 89 -1.284 -13.199 12.931 1.00 0.00 H new ATOM 0 HB2 CYS A 89 0.924 -12.415 13.900 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.327 -11.197 13.755 1.00 0.00 H new ATOM 0 HG CYS A 89 0.984 -10.816 16.252 1.00 0.00 H new ATOM 1378 N SER A 90 -0.627 -15.000 15.618 1.00 0.00 N ATOM 1379 CA SER A 90 -0.191 -16.309 16.083 1.00 0.00 C ATOM 1380 C SER A 90 -0.823 -17.430 15.260 1.00 0.00 C ATOM 1381 O SER A 90 -0.122 -18.291 14.741 1.00 0.00 O ATOM 1382 CB SER A 90 -0.535 -16.462 17.573 1.00 0.00 C ATOM 1383 OG SER A 90 -0.244 -15.266 18.285 1.00 0.00 O ATOM 0 H SER A 90 -0.998 -14.410 16.363 1.00 0.00 H new ATOM 0 HA SER A 90 0.889 -16.385 15.955 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.591 -16.708 17.683 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.032 -17.290 17.998 1.00 0.00 H new ATOM 0 HG SER A 90 -0.472 -15.385 19.231 1.00 0.00 H new ATOM 1389 N LYS A 91 -2.146 -17.400 15.092 1.00 0.00 N ATOM 1390 CA LYS A 91 -2.889 -18.446 14.397 1.00 0.00 C ATOM 1391 C LYS A 91 -2.554 -18.447 12.907 1.00 0.00 C ATOM 1392 O LYS A 91 -2.405 -19.515 12.321 1.00 0.00 O ATOM 1393 CB LYS A 91 -4.405 -18.290 14.616 1.00 0.00 C ATOM 1394 CG LYS A 91 -4.849 -18.104 16.082 1.00 0.00 C ATOM 1395 CD LYS A 91 -4.302 -19.113 17.105 1.00 0.00 C ATOM 1396 CE LYS A 91 -4.639 -20.564 16.734 1.00 0.00 C ATOM 1397 NZ LYS A 91 -4.298 -21.518 17.821 1.00 0.00 N ATOM 0 H LYS A 91 -2.734 -16.642 15.438 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.588 -19.406 14.816 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.752 -17.433 14.038 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.905 -19.170 14.212 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.556 -17.104 16.401 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -5.938 -18.143 16.115 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.220 -19.002 17.178 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.713 -18.888 18.089 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.702 -20.641 16.507 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.099 -20.840 15.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.543 -22.484 17.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.279 -21.466 18.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.833 -21.273 18.679 1.00 0.00 H new ATOM 1411 N ILE A 92 -2.386 -17.272 12.298 1.00 0.00 N ATOM 1412 CA ILE A 92 -1.997 -17.154 10.894 1.00 0.00 C ATOM 1413 C ILE A 92 -0.639 -17.846 10.696 1.00 0.00 C ATOM 1414 O ILE A 92 -0.490 -18.690 9.810 1.00 0.00 O ATOM 1415 CB ILE A 92 -1.989 -15.657 10.498 1.00 0.00 C ATOM 1416 CG1 ILE A 92 -3.422 -15.073 10.553 1.00 0.00 C ATOM 1417 CG2 ILE A 92 -1.379 -15.451 9.101 1.00 0.00 C ATOM 1418 CD1 ILE A 92 -3.453 -13.546 10.665 1.00 0.00 C ATOM 0 H ILE A 92 -2.516 -16.375 12.766 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.709 -17.652 10.236 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.366 -15.126 11.218 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.964 -15.375 9.657 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.949 -15.503 11.405 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.388 -14.390 8.853 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.352 -15.816 9.095 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.964 -16.001 8.364 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -4.488 -13.205 10.699 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.939 -13.237 11.575 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.954 -13.108 9.801 1.00 0.00 H new ATOM 1430 N ILE A 93 0.337 -17.525 11.549 1.00 0.00 N ATOM 1431 CA ILE A 93 1.681 -18.086 11.494 1.00 0.00 C ATOM 1432 C ILE A 93 1.615 -19.592 11.770 1.00 0.00 C ATOM 1433 O ILE A 93 2.275 -20.365 11.077 1.00 0.00 O ATOM 1434 CB ILE A 93 2.578 -17.341 12.508 1.00 0.00 C ATOM 1435 CG1 ILE A 93 2.702 -15.844 12.143 1.00 0.00 C ATOM 1436 CG2 ILE A 93 3.981 -17.961 12.585 1.00 0.00 C ATOM 1437 CD1 ILE A 93 3.194 -15.000 13.321 1.00 0.00 C ATOM 0 H ILE A 93 0.209 -16.856 12.309 1.00 0.00 H new ATOM 0 HA ILE A 93 2.117 -17.955 10.504 1.00 0.00 H new ATOM 0 HB ILE A 93 2.100 -17.437 13.483 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.391 -15.732 11.305 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.733 -15.471 11.811 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.583 -17.411 13.308 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.902 -19.002 12.897 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.455 -17.911 11.605 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.265 -13.956 13.016 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.492 -15.089 14.150 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.176 -15.353 13.637 1.00 0.00 H new ATOM 1449 N GLN A 94 0.796 -20.016 12.739 1.00 0.00 N ATOM 1450 CA GLN A 94 0.601 -21.417 13.077 1.00 0.00 C ATOM 1451 C GLN A 94 0.176 -22.177 11.831 1.00 0.00 C ATOM 1452 O GLN A 94 0.809 -23.172 11.492 1.00 0.00 O ATOM 1453 CB GLN A 94 -0.461 -21.578 14.180 1.00 0.00 C ATOM 1454 CG GLN A 94 0.059 -21.466 15.617 1.00 0.00 C ATOM 1455 CD GLN A 94 1.133 -22.503 15.973 1.00 0.00 C ATOM 1456 OE1 GLN A 94 2.125 -22.176 16.621 1.00 0.00 O ATOM 1457 NE2 GLN A 94 0.993 -23.760 15.578 1.00 0.00 N ATOM 0 H GLN A 94 0.245 -19.380 13.315 1.00 0.00 H new ATOM 0 HA GLN A 94 1.541 -21.821 13.455 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.232 -20.822 14.031 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -0.940 -22.550 14.060 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.468 -20.467 15.768 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.779 -21.574 16.306 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.172 -24.037 15.040 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.706 -24.451 15.812 1.00 0.00 H new ATOM 1466 N ARG A 95 -0.849 -21.701 11.115 1.00 0.00 N ATOM 1467 CA ARG A 95 -1.285 -22.392 9.904 1.00 0.00 C ATOM 1468 C ARG A 95 -0.167 -22.402 8.871 1.00 0.00 C ATOM 1469 O ARG A 95 0.087 -23.447 8.283 1.00 0.00 O ATOM 1470 CB ARG A 95 -2.587 -21.807 9.332 1.00 0.00 C ATOM 1471 CG ARG A 95 -3.821 -21.914 10.250 1.00 0.00 C ATOM 1472 CD ARG A 95 -3.972 -23.283 10.930 1.00 0.00 C ATOM 1473 NE ARG A 95 -5.244 -23.395 11.661 1.00 0.00 N ATOM 1474 CZ ARG A 95 -5.535 -24.330 12.578 1.00 0.00 C ATOM 1475 NH1 ARG A 95 -4.643 -25.251 12.931 1.00 0.00 N ATOM 1476 NH2 ARG A 95 -6.738 -24.336 13.145 1.00 0.00 N ATOM 0 H ARG A 95 -1.379 -20.861 11.348 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.512 -23.423 10.174 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.420 -20.756 9.097 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.810 -22.312 8.392 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -3.759 -21.143 11.018 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -4.717 -21.709 9.664 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -3.915 -24.070 10.178 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -3.142 -23.440 11.619 1.00 0.00 H new ATOM 0 HE ARG A 95 -5.965 -22.704 11.453 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.717 -25.255 12.502 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.884 -25.953 13.630 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -7.429 -23.634 12.882 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -6.969 -25.043 13.843 1.00 0.00 H new ATOM 1490 N ALA A 96 0.546 -21.291 8.670 1.00 0.00 N ATOM 1491 CA ALA A 96 1.609 -21.250 7.676 1.00 0.00 C ATOM 1492 C ALA A 96 2.663 -22.332 7.944 1.00 0.00 C ATOM 1493 O ALA A 96 3.059 -23.063 7.037 1.00 0.00 O ATOM 1494 CB ALA A 96 2.247 -19.854 7.664 1.00 0.00 C ATOM 0 H ALA A 96 0.405 -20.418 9.179 1.00 0.00 H new ATOM 0 HA ALA A 96 1.179 -21.453 6.695 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.043 -19.824 6.920 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.490 -19.110 7.416 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.662 -19.635 8.648 1.00 0.00 H new ATOM 1500 N GLU A 97 3.086 -22.463 9.199 1.00 0.00 N ATOM 1501 CA GLU A 97 4.137 -23.394 9.594 1.00 0.00 C ATOM 1502 C GLU A 97 3.609 -24.828 9.776 1.00 0.00 C ATOM 1503 O GLU A 97 4.402 -25.768 9.790 1.00 0.00 O ATOM 1504 CB GLU A 97 4.838 -22.885 10.863 1.00 0.00 C ATOM 1505 CG GLU A 97 5.551 -21.543 10.618 1.00 0.00 C ATOM 1506 CD GLU A 97 6.543 -21.207 11.744 1.00 0.00 C ATOM 1507 OE1 GLU A 97 6.134 -21.049 12.916 1.00 0.00 O ATOM 1508 OE2 GLU A 97 7.756 -21.107 11.450 1.00 0.00 O ATOM 0 H GLU A 97 2.706 -21.922 9.975 1.00 0.00 H new ATOM 0 HA GLU A 97 4.866 -23.439 8.785 1.00 0.00 H new ATOM 0 HB2 GLU A 97 4.106 -22.768 11.662 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.562 -23.626 11.201 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.081 -21.582 9.667 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.810 -20.748 10.538 1.00 0.00 H new ATOM 1515 N GLU A 98 2.292 -25.030 9.874 1.00 0.00 N ATOM 1516 CA GLU A 98 1.667 -26.345 9.895 1.00 0.00 C ATOM 1517 C GLU A 98 1.549 -26.913 8.475 1.00 0.00 C ATOM 1518 O GLU A 98 1.433 -28.129 8.312 1.00 0.00 O ATOM 1519 CB GLU A 98 0.268 -26.242 10.532 1.00 0.00 C ATOM 1520 CG GLU A 98 0.331 -26.200 12.068 1.00 0.00 C ATOM 1521 CD GLU A 98 -0.927 -25.599 12.726 1.00 0.00 C ATOM 1522 OE1 GLU A 98 -2.034 -25.660 12.141 1.00 0.00 O ATOM 1523 OE2 GLU A 98 -0.816 -25.094 13.868 1.00 0.00 O ATOM 0 H GLU A 98 1.621 -24.265 9.942 1.00 0.00 H new ATOM 0 HA GLU A 98 2.290 -27.017 10.485 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.231 -25.345 10.166 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.336 -27.093 10.218 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.478 -27.212 12.444 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.201 -25.618 12.371 1.00 0.00 H new ATOM 1530 N LEU A 99 1.588 -26.050 7.452 1.00 0.00 N ATOM 1531 CA LEU A 99 1.241 -26.411 6.078 1.00 0.00 C ATOM 1532 C LEU A 99 2.429 -26.304 5.118 1.00 0.00 C ATOM 1533 O LEU A 99 2.306 -26.695 3.957 1.00 0.00 O ATOM 1534 CB LEU A 99 0.045 -25.554 5.622 1.00 0.00 C ATOM 1535 CG LEU A 99 -1.201 -25.683 6.529 1.00 0.00 C ATOM 1536 CD1 LEU A 99 -2.242 -24.635 6.133 1.00 0.00 C ATOM 1537 CD2 LEU A 99 -1.832 -27.077 6.500 1.00 0.00 C ATOM 0 H LEU A 99 1.864 -25.074 7.559 1.00 0.00 H new ATOM 0 HA LEU A 99 0.956 -27.463 6.058 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.351 -24.508 5.589 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.227 -25.839 4.606 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.861 -25.515 7.551 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.117 -24.731 6.775 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.816 -23.638 6.246 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.536 -24.788 5.095 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.701 -27.097 7.158 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.142 -27.315 5.482 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.103 -27.813 6.839 1.00 0.00 H new ATOM 1549 N VAL A 100 3.588 -25.814 5.571 1.00 0.00 N ATOM 1550 CA VAL A 100 4.826 -25.894 4.807 1.00 0.00 C ATOM 1551 C VAL A 100 5.121 -27.361 4.442 1.00 0.00 C ATOM 1552 O VAL A 100 4.813 -28.282 5.205 1.00 0.00 O ATOM 1553 CB VAL A 100 5.958 -25.189 5.585 1.00 0.00 C ATOM 1554 CG1 VAL A 100 6.367 -25.907 6.878 1.00 0.00 C ATOM 1555 CG2 VAL A 100 7.189 -24.991 4.698 1.00 0.00 C ATOM 0 H VAL A 100 3.689 -25.353 6.475 1.00 0.00 H new ATOM 0 HA VAL A 100 4.736 -25.365 3.858 1.00 0.00 H new ATOM 0 HB VAL A 100 5.547 -24.223 5.878 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.167 -25.350 7.366 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.508 -25.970 7.546 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.717 -26.912 6.641 1.00 0.00 H new ATOM 0 HG21 VAL A 100 7.972 -24.492 5.269 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.551 -25.961 4.356 1.00 0.00 H new ATOM 0 HG23 VAL A 100 6.922 -24.379 3.837 1.00 0.00 H new ATOM 1565 N GLY A 101 5.716 -27.581 3.267 1.00 0.00 N ATOM 1566 CA GLY A 101 6.081 -28.895 2.758 1.00 0.00 C ATOM 1567 C GLY A 101 4.930 -29.595 2.032 1.00 0.00 C ATOM 1568 O GLY A 101 5.154 -30.659 1.453 1.00 0.00 O ATOM 0 H GLY A 101 5.962 -26.824 2.629 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.925 -28.793 2.076 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.414 -29.520 3.586 1.00 0.00 H new ATOM 1572 N GLN A 102 3.715 -29.032 2.042 1.00 0.00 N ATOM 1573 CA GLN A 102 2.591 -29.591 1.303 1.00 0.00 C ATOM 1574 C GLN A 102 2.706 -29.207 -0.164 1.00 0.00 C ATOM 1575 O GLN A 102 3.296 -28.183 -0.514 1.00 0.00 O ATOM 1576 CB GLN A 102 1.252 -29.109 1.875 1.00 0.00 C ATOM 1577 CG GLN A 102 0.963 -29.821 3.201 1.00 0.00 C ATOM 1578 CD GLN A 102 -0.374 -29.430 3.837 1.00 0.00 C ATOM 1579 OE1 GLN A 102 -1.193 -28.711 3.267 1.00 0.00 O ATOM 1580 NE2 GLN A 102 -0.635 -29.913 5.041 1.00 0.00 N ATOM 0 H GLN A 102 3.491 -28.183 2.560 1.00 0.00 H new ATOM 0 HA GLN A 102 2.620 -30.676 1.399 1.00 0.00 H new ATOM 0 HB2 GLN A 102 1.280 -28.030 2.030 1.00 0.00 H new ATOM 0 HB3 GLN A 102 0.450 -29.308 1.164 1.00 0.00 H new ATOM 0 HG2 GLN A 102 0.973 -30.898 3.033 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.767 -29.600 3.903 1.00 0.00 H new ATOM 0 HE21 GLN A 102 0.047 -30.509 5.510 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.518 -29.689 5.500 1.00 0.00 H new ATOM 1589 N GLU A 103 2.094 -30.022 -1.010 1.00 0.00 N ATOM 1590 CA GLU A 103 2.101 -29.870 -2.451 1.00 0.00 C ATOM 1591 C GLU A 103 0.728 -29.388 -2.905 1.00 0.00 C ATOM 1592 O GLU A 103 -0.295 -29.703 -2.286 1.00 0.00 O ATOM 1593 CB GLU A 103 2.465 -31.195 -3.157 1.00 0.00 C ATOM 1594 CG GLU A 103 3.500 -32.094 -2.450 1.00 0.00 C ATOM 1595 CD GLU A 103 2.858 -33.150 -1.520 1.00 0.00 C ATOM 1596 OE1 GLU A 103 2.066 -32.799 -0.615 1.00 0.00 O ATOM 1597 OE2 GLU A 103 3.157 -34.355 -1.684 1.00 0.00 O ATOM 0 H GLU A 103 1.562 -30.834 -0.698 1.00 0.00 H new ATOM 0 HA GLU A 103 2.861 -29.137 -2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 103 1.550 -31.771 -3.292 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.843 -30.958 -4.152 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.104 -32.601 -3.202 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.176 -31.469 -1.867 1.00 0.00 H new ATOM 1604 N VAL A 104 0.706 -28.665 -4.019 1.00 0.00 N ATOM 1605 CA VAL A 104 -0.487 -28.171 -4.666 1.00 0.00 C ATOM 1606 C VAL A 104 -0.370 -28.466 -6.161 1.00 0.00 C ATOM 1607 O VAL A 104 0.722 -28.458 -6.735 1.00 0.00 O ATOM 1608 CB VAL A 104 -0.663 -26.673 -4.361 1.00 0.00 C ATOM 1609 CG1 VAL A 104 -1.073 -26.434 -2.900 1.00 0.00 C ATOM 1610 CG2 VAL A 104 0.568 -25.816 -4.679 1.00 0.00 C ATOM 0 H VAL A 104 1.559 -28.400 -4.511 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.381 -28.668 -4.289 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.462 -26.355 -5.031 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.187 -25.364 -2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -2.019 -26.938 -2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.304 -26.830 -2.237 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.359 -24.774 -4.435 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.416 -26.164 -4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.805 -25.900 -5.740 1.00 0.00 H new ATOM 1620 N LEU A 105 -1.507 -28.732 -6.801 1.00 0.00 N ATOM 1621 CA LEU A 105 -1.563 -29.242 -8.171 1.00 0.00 C ATOM 1622 C LEU A 105 -1.999 -28.138 -9.136 1.00 0.00 C ATOM 1623 O LEU A 105 -2.714 -28.358 -10.116 1.00 0.00 O ATOM 1624 CB LEU A 105 -2.517 -30.439 -8.232 1.00 0.00 C ATOM 1625 CG LEU A 105 -2.179 -31.629 -7.311 1.00 0.00 C ATOM 1626 CD1 LEU A 105 -3.213 -32.741 -7.511 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -0.775 -32.189 -7.565 1.00 0.00 C ATOM 0 H LEU A 105 -2.426 -28.598 -6.379 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.570 -29.572 -8.475 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.520 -30.090 -7.986 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.548 -30.800 -9.260 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.204 -31.262 -6.285 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.974 -33.582 -6.860 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.206 -32.363 -7.266 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.197 -33.071 -8.550 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.589 -33.024 -6.890 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.702 -32.533 -8.597 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.035 -31.409 -7.389 1.00 0.00 H new ATOM 1639 N TYR A 106 -1.578 -26.930 -8.801 1.00 0.00 N ATOM 1640 CA TYR A 106 -1.656 -25.734 -9.614 1.00 0.00 C ATOM 1641 C TYR A 106 -0.283 -25.067 -9.613 1.00 0.00 C ATOM 1642 O TYR A 106 0.532 -25.292 -8.713 1.00 0.00 O ATOM 1643 CB TYR A 106 -2.764 -24.804 -9.098 1.00 0.00 C ATOM 1644 CG TYR A 106 -2.773 -24.496 -7.605 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -1.773 -23.690 -7.020 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -3.833 -24.972 -6.806 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -1.851 -23.334 -5.661 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -3.916 -24.621 -5.447 1.00 0.00 C ATOM 1649 CZ TYR A 106 -2.933 -23.786 -4.872 1.00 0.00 C ATOM 1650 OH TYR A 106 -3.042 -23.420 -3.563 1.00 0.00 O ATOM 0 H TYR A 106 -1.145 -26.750 -7.895 1.00 0.00 H new ATOM 0 HA TYR A 106 -1.921 -25.982 -10.642 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.692 -23.860 -9.638 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -3.726 -25.247 -9.358 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.943 -23.345 -7.619 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -4.587 -25.611 -7.241 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.084 -22.715 -5.220 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -4.732 -24.990 -4.843 1.00 0.00 H new ATOM 0 HH TYR A 106 -3.848 -23.823 -3.177 1.00 0.00 H new ATOM 1660 N LYS A 107 -0.022 -24.238 -10.626 1.00 0.00 N ATOM 1661 CA LYS A 107 1.207 -23.469 -10.714 1.00 0.00 C ATOM 1662 C LYS A 107 1.205 -22.380 -9.653 1.00 0.00 C ATOM 1663 O LYS A 107 0.154 -21.868 -9.269 1.00 0.00 O ATOM 1664 CB LYS A 107 1.288 -22.765 -12.077 1.00 0.00 C ATOM 1665 CG LYS A 107 1.483 -23.711 -13.263 1.00 0.00 C ATOM 1666 CD LYS A 107 1.582 -22.914 -14.571 1.00 0.00 C ATOM 1667 CE LYS A 107 1.761 -23.868 -15.759 1.00 0.00 C ATOM 1668 NZ LYS A 107 1.883 -23.144 -17.049 1.00 0.00 N ATOM 0 H LYS A 107 -0.662 -24.086 -11.406 1.00 0.00 H new ATOM 0 HA LYS A 107 2.047 -24.151 -10.578 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.374 -22.191 -12.231 1.00 0.00 H new ATOM 0 HB3 LYS A 107 2.112 -22.052 -12.056 1.00 0.00 H new ATOM 0 HG2 LYS A 107 2.388 -24.302 -13.120 1.00 0.00 H new ATOM 0 HG3 LYS A 107 0.650 -24.412 -13.319 1.00 0.00 H new ATOM 0 HD2 LYS A 107 0.682 -22.314 -14.709 1.00 0.00 H new ATOM 0 HD3 LYS A 107 2.422 -22.222 -14.521 1.00 0.00 H new ATOM 0 HE2 LYS A 107 2.651 -24.478 -15.602 1.00 0.00 H new ATOM 0 HE3 LYS A 107 0.912 -24.549 -15.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 2.002 -23.830 -17.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 1.024 -22.582 -17.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 2.709 -22.513 -17.016 1.00 0.00 H new ATOM 1682 N LEU A 108 2.401 -21.939 -9.288 1.00 0.00 N ATOM 1683 CA LEU A 108 2.655 -20.752 -8.479 1.00 0.00 C ATOM 1684 C LEU A 108 2.464 -19.460 -9.298 1.00 0.00 C ATOM 1685 O LEU A 108 3.337 -18.590 -9.327 1.00 0.00 O ATOM 1686 CB LEU A 108 4.040 -20.868 -7.814 1.00 0.00 C ATOM 1687 CG LEU A 108 5.214 -21.422 -8.650 1.00 0.00 C ATOM 1688 CD1 LEU A 108 5.422 -20.785 -10.028 1.00 0.00 C ATOM 1689 CD2 LEU A 108 6.489 -21.293 -7.818 1.00 0.00 C ATOM 0 H LEU A 108 3.259 -22.419 -9.559 1.00 0.00 H new ATOM 0 HA LEU A 108 1.919 -20.690 -7.678 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.323 -19.876 -7.462 1.00 0.00 H new ATOM 0 HB3 LEU A 108 3.933 -21.501 -6.933 1.00 0.00 H new ATOM 0 HG LEU A 108 4.961 -22.458 -8.875 1.00 0.00 H new ATOM 0 HD11 LEU A 108 6.273 -21.254 -10.521 1.00 0.00 H new ATOM 0 HD12 LEU A 108 4.527 -20.928 -10.634 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.613 -19.718 -9.911 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.335 -21.678 -8.387 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.661 -20.244 -7.577 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.381 -21.865 -6.896 1.00 0.00 H new ATOM 1701 N THR A 109 1.351 -19.337 -10.025 1.00 0.00 N ATOM 1702 CA THR A 109 0.978 -18.081 -10.657 1.00 0.00 C ATOM 1703 C THR A 109 0.673 -17.055 -9.562 1.00 0.00 C ATOM 1704 O THR A 109 0.337 -17.423 -8.431 1.00 0.00 O ATOM 1705 CB THR A 109 -0.231 -18.308 -11.581 1.00 0.00 C ATOM 1706 OG1 THR A 109 -1.187 -19.149 -10.961 1.00 0.00 O ATOM 1707 CG2 THR A 109 0.200 -18.972 -12.893 1.00 0.00 C ATOM 0 H THR A 109 0.693 -20.099 -10.188 1.00 0.00 H new ATOM 0 HA THR A 109 1.793 -17.699 -11.271 1.00 0.00 H new ATOM 0 HB THR A 109 -0.667 -17.330 -11.784 1.00 0.00 H new ATOM 0 HG1 THR A 109 -1.948 -19.279 -11.564 1.00 0.00 H new ATOM 0 HG21 THR A 109 -0.673 -19.122 -13.529 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.917 -18.332 -13.406 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.662 -19.936 -12.678 1.00 0.00 H new ATOM 1715 N SER A 110 0.738 -15.766 -9.905 1.00 0.00 N ATOM 1716 CA SER A 110 0.495 -14.662 -8.985 1.00 0.00 C ATOM 1717 C SER A 110 -0.838 -14.842 -8.246 1.00 0.00 C ATOM 1718 O SER A 110 -0.903 -14.649 -7.032 1.00 0.00 O ATOM 1719 CB SER A 110 0.542 -13.347 -9.787 1.00 0.00 C ATOM 1720 OG SER A 110 1.591 -13.380 -10.737 1.00 0.00 O ATOM 0 H SER A 110 0.966 -15.459 -10.851 1.00 0.00 H new ATOM 0 HA SER A 110 1.266 -14.637 -8.215 1.00 0.00 H new ATOM 0 HB2 SER A 110 -0.410 -13.190 -10.294 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.685 -12.506 -9.109 1.00 0.00 H new ATOM 0 HG SER A 110 2.454 -13.349 -10.273 1.00 0.00 H new ATOM 1726 N GLU A 111 -1.880 -15.286 -8.959 1.00 0.00 N ATOM 1727 CA GLU A 111 -3.203 -15.519 -8.396 1.00 0.00 C ATOM 1728 C GLU A 111 -3.196 -16.704 -7.426 1.00 0.00 C ATOM 1729 O GLU A 111 -3.809 -16.615 -6.364 1.00 0.00 O ATOM 1730 CB GLU A 111 -4.193 -15.741 -9.552 1.00 0.00 C ATOM 1731 CG GLU A 111 -5.642 -15.875 -9.066 1.00 0.00 C ATOM 1732 CD GLU A 111 -6.625 -15.977 -10.246 1.00 0.00 C ATOM 1733 OE1 GLU A 111 -6.889 -17.100 -10.733 1.00 0.00 O ATOM 1734 OE2 GLU A 111 -7.162 -14.937 -10.692 1.00 0.00 O ATOM 0 H GLU A 111 -1.821 -15.494 -9.956 1.00 0.00 H new ATOM 0 HA GLU A 111 -3.512 -14.649 -7.817 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.123 -14.908 -10.251 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.912 -16.641 -10.099 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.735 -16.759 -8.436 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.901 -15.015 -8.449 1.00 0.00 H new ATOM 1741 N ASN A 112 -2.505 -17.803 -7.745 1.00 0.00 N ATOM 1742 CA ASN A 112 -2.509 -18.979 -6.876 1.00 0.00 C ATOM 1743 C ASN A 112 -1.699 -18.728 -5.609 1.00 0.00 C ATOM 1744 O ASN A 112 -2.079 -19.208 -4.540 1.00 0.00 O ATOM 1745 CB ASN A 112 -1.968 -20.201 -7.620 1.00 0.00 C ATOM 1746 CG ASN A 112 -3.063 -20.911 -8.412 1.00 0.00 C ATOM 1747 OD1 ASN A 112 -4.124 -21.238 -7.885 1.00 0.00 O ATOM 1748 ND2 ASN A 112 -2.852 -21.133 -9.696 1.00 0.00 N ATOM 0 H ASN A 112 -1.942 -17.901 -8.590 1.00 0.00 H new ATOM 0 HA ASN A 112 -3.541 -19.177 -6.586 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -1.172 -19.892 -8.297 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -1.527 -20.896 -6.906 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -3.573 -21.580 -10.262 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.967 -20.857 -10.123 1.00 0.00 H new ATOM 1755 N CYS A 113 -0.610 -17.961 -5.696 1.00 0.00 N ATOM 1756 CA CYS A 113 0.135 -17.573 -4.511 1.00 0.00 C ATOM 1757 C CYS A 113 -0.718 -16.641 -3.646 1.00 0.00 C ATOM 1758 O CYS A 113 -0.799 -16.861 -2.438 1.00 0.00 O ATOM 1759 CB CYS A 113 1.468 -16.928 -4.900 1.00 0.00 C ATOM 1760 SG CYS A 113 2.431 -18.097 -5.898 1.00 0.00 S ATOM 0 H CYS A 113 -0.231 -17.601 -6.572 1.00 0.00 H new ATOM 0 HA CYS A 113 0.367 -18.461 -3.923 1.00 0.00 H new ATOM 0 HB2 CYS A 113 1.291 -16.011 -5.463 1.00 0.00 H new ATOM 0 HB3 CYS A 113 2.026 -16.650 -4.005 1.00 0.00 H new ATOM 0 HG CYS A 113 1.899 -18.200 -7.080 1.00 0.00 H new ATOM 1766 N GLU A 114 -1.380 -15.643 -4.248 1.00 0.00 N ATOM 1767 CA GLU A 114 -2.257 -14.716 -3.529 1.00 0.00 C ATOM 1768 C GLU A 114 -3.367 -15.492 -2.815 1.00 0.00 C ATOM 1769 O GLU A 114 -3.657 -15.234 -1.643 1.00 0.00 O ATOM 1770 CB GLU A 114 -2.864 -13.696 -4.510 1.00 0.00 C ATOM 1771 CG GLU A 114 -3.662 -12.599 -3.792 1.00 0.00 C ATOM 1772 CD GLU A 114 -4.302 -11.619 -4.791 1.00 0.00 C ATOM 1773 OE1 GLU A 114 -5.319 -11.975 -5.428 1.00 0.00 O ATOM 1774 OE2 GLU A 114 -3.821 -10.471 -4.917 1.00 0.00 O ATOM 0 H GLU A 114 -1.320 -15.458 -5.249 1.00 0.00 H new ATOM 0 HA GLU A 114 -1.671 -14.178 -2.784 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -2.066 -13.238 -5.094 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -3.516 -14.215 -5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.440 -13.055 -3.180 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -3.004 -12.053 -3.116 1.00 0.00 H new ATOM 1781 N HIS A 115 -3.958 -16.462 -3.519 1.00 0.00 N ATOM 1782 CA HIS A 115 -4.998 -17.338 -3.011 1.00 0.00 C ATOM 1783 C HIS A 115 -4.480 -18.049 -1.765 1.00 0.00 C ATOM 1784 O HIS A 115 -5.091 -17.931 -0.704 1.00 0.00 O ATOM 1785 CB HIS A 115 -5.427 -18.314 -4.126 1.00 0.00 C ATOM 1786 CG HIS A 115 -6.364 -19.411 -3.676 1.00 0.00 C ATOM 1787 ND1 HIS A 115 -7.739 -19.471 -3.926 1.00 0.00 N ATOM 1788 CD2 HIS A 115 -6.006 -20.490 -2.919 1.00 0.00 C ATOM 1789 CE1 HIS A 115 -8.179 -20.559 -3.265 1.00 0.00 C ATOM 1790 NE2 HIS A 115 -7.162 -21.176 -2.638 1.00 0.00 N ATOM 0 H HIS A 115 -3.712 -16.659 -4.489 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.884 -16.774 -2.720 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -5.909 -17.746 -4.922 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -4.535 -18.770 -4.555 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -5.007 -20.753 -2.603 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -9.207 -20.890 -3.242 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -7.236 -22.009 -2.055 1.00 0.00 H new ATOM 1798 N PHE A 116 -3.339 -18.740 -1.865 1.00 0.00 N ATOM 1799 CA PHE A 116 -2.832 -19.545 -0.767 1.00 0.00 C ATOM 1800 C PHE A 116 -2.548 -18.706 0.473 1.00 0.00 C ATOM 1801 O PHE A 116 -2.964 -19.079 1.566 1.00 0.00 O ATOM 1802 CB PHE A 116 -1.568 -20.283 -1.223 1.00 0.00 C ATOM 1803 CG PHE A 116 -0.754 -20.864 -0.078 1.00 0.00 C ATOM 1804 CD1 PHE A 116 -1.095 -22.109 0.483 1.00 0.00 C ATOM 1805 CD2 PHE A 116 0.298 -20.111 0.481 1.00 0.00 C ATOM 1806 CE1 PHE A 116 -0.389 -22.590 1.601 1.00 0.00 C ATOM 1807 CE2 PHE A 116 0.985 -20.577 1.612 1.00 0.00 C ATOM 1808 CZ PHE A 116 0.649 -21.827 2.164 1.00 0.00 C ATOM 0 H PHE A 116 -2.754 -18.753 -2.700 1.00 0.00 H new ATOM 0 HA PHE A 116 -3.599 -20.268 -0.489 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -1.852 -21.088 -1.900 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -0.941 -19.595 -1.791 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -1.897 -22.694 0.056 1.00 0.00 H new ATOM 0 HD2 PHE A 116 0.578 -19.168 0.035 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -0.645 -23.548 2.028 1.00 0.00 H new ATOM 0 HE2 PHE A 116 1.767 -19.980 2.056 1.00 0.00 H new ATOM 0 HZ PHE A 116 1.189 -22.201 3.021 1.00 0.00 H new ATOM 1818 N VAL A 117 -1.848 -17.581 0.330 1.00 0.00 N ATOM 1819 CA VAL A 117 -1.498 -16.789 1.505 1.00 0.00 C ATOM 1820 C VAL A 117 -2.749 -16.195 2.168 1.00 0.00 C ATOM 1821 O VAL A 117 -2.802 -16.097 3.395 1.00 0.00 O ATOM 1822 CB VAL A 117 -0.414 -15.742 1.200 1.00 0.00 C ATOM 1823 CG1 VAL A 117 0.857 -16.396 0.642 1.00 0.00 C ATOM 1824 CG2 VAL A 117 -0.869 -14.626 0.249 1.00 0.00 C ATOM 0 H VAL A 117 -1.521 -17.207 -0.561 1.00 0.00 H new ATOM 0 HA VAL A 117 -1.050 -17.461 2.237 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.202 -15.276 2.162 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.602 -15.627 0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 117 1.254 -17.101 1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 117 0.619 -16.925 -0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -0.047 -13.930 0.086 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.171 -15.061 -0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.713 -14.094 0.689 1.00 0.00 H new ATOM 1834 N ASN A 118 -3.794 -15.857 1.400 1.00 0.00 N ATOM 1835 CA ASN A 118 -5.057 -15.403 1.988 1.00 0.00 C ATOM 1836 C ASN A 118 -5.761 -16.560 2.694 1.00 0.00 C ATOM 1837 O ASN A 118 -6.349 -16.361 3.756 1.00 0.00 O ATOM 1838 CB ASN A 118 -5.961 -14.724 0.954 1.00 0.00 C ATOM 1839 CG ASN A 118 -5.540 -13.272 0.755 1.00 0.00 C ATOM 1840 OD1 ASN A 118 -6.040 -12.374 1.424 1.00 0.00 O ATOM 1841 ND2 ASN A 118 -4.577 -13.017 -0.112 1.00 0.00 N ATOM 0 H ASN A 118 -3.789 -15.889 0.381 1.00 0.00 H new ATOM 0 HA ASN A 118 -4.827 -14.643 2.735 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -5.906 -15.259 0.006 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -6.999 -14.767 1.284 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -4.239 -12.062 -0.233 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -4.171 -13.775 -0.661 1.00 0.00 H new ATOM 1848 N GLU A 119 -5.605 -17.784 2.188 1.00 0.00 N ATOM 1849 CA GLU A 119 -6.006 -19.024 2.844 1.00 0.00 C ATOM 1850 C GLU A 119 -5.343 -19.219 4.221 1.00 0.00 C ATOM 1851 O GLU A 119 -5.742 -20.122 4.954 1.00 0.00 O ATOM 1852 CB GLU A 119 -5.753 -20.229 1.912 1.00 0.00 C ATOM 1853 CG GLU A 119 -6.968 -21.154 1.830 1.00 0.00 C ATOM 1854 CD GLU A 119 -6.690 -22.421 0.999 1.00 0.00 C ATOM 1855 OE1 GLU A 119 -6.016 -23.348 1.503 1.00 0.00 O ATOM 1856 OE2 GLU A 119 -7.175 -22.517 -0.152 1.00 0.00 O ATOM 0 H GLU A 119 -5.179 -17.942 1.275 1.00 0.00 H new ATOM 0 HA GLU A 119 -7.076 -18.954 3.040 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -5.503 -19.869 0.914 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -4.892 -20.792 2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -7.269 -21.443 2.837 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -7.805 -20.611 1.390 1.00 0.00 H new ATOM 1863 N LEU A 120 -4.373 -18.377 4.606 1.00 0.00 N ATOM 1864 CA LEU A 120 -3.737 -18.371 5.915 1.00 0.00 C ATOM 1865 C LEU A 120 -4.110 -17.103 6.678 1.00 0.00 C ATOM 1866 O LEU A 120 -4.536 -17.198 7.825 1.00 0.00 O ATOM 1867 CB LEU A 120 -2.211 -18.455 5.777 1.00 0.00 C ATOM 1868 CG LEU A 120 -1.697 -19.644 4.954 1.00 0.00 C ATOM 1869 CD1 LEU A 120 -0.190 -19.486 4.766 1.00 0.00 C ATOM 1870 CD2 LEU A 120 -1.994 -20.987 5.620 1.00 0.00 C ATOM 0 H LEU A 120 -4.002 -17.658 3.985 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.090 -19.242 6.467 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.852 -17.533 5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.774 -18.507 6.774 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.214 -19.643 3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 120 0.194 -20.323 4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 120 0.015 -18.553 4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 120 0.298 -19.469 5.740 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.610 -21.795 4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -1.513 -21.022 6.598 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.071 -21.103 5.741 1.00 0.00 H new ATOM 1882 N ARG A 121 -3.998 -15.924 6.045 1.00 0.00 N ATOM 1883 CA ARG A 121 -4.337 -14.639 6.666 1.00 0.00 C ATOM 1884 C ARG A 121 -5.796 -14.616 7.135 1.00 0.00 C ATOM 1885 O ARG A 121 -6.080 -14.063 8.197 1.00 0.00 O ATOM 1886 CB ARG A 121 -4.020 -13.494 5.681 1.00 0.00 C ATOM 1887 CG ARG A 121 -4.220 -12.072 6.241 1.00 0.00 C ATOM 1888 CD ARG A 121 -3.148 -11.643 7.252 1.00 0.00 C ATOM 1889 NE ARG A 121 -3.630 -10.550 8.124 1.00 0.00 N ATOM 1890 CZ ARG A 121 -2.995 -10.065 9.201 1.00 0.00 C ATOM 1891 NH1 ARG A 121 -1.774 -10.480 9.519 1.00 0.00 N ATOM 1892 NH2 ARG A 121 -3.584 -9.159 9.968 1.00 0.00 N ATOM 0 H ARG A 121 -3.668 -15.838 5.084 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.728 -14.498 7.559 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.986 -13.595 5.352 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.649 -13.611 4.798 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -4.227 -11.364 5.412 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -5.198 -12.015 6.718 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -2.861 -12.498 7.864 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.254 -11.318 6.720 1.00 0.00 H new ATOM 0 HE ARG A 121 -4.527 -10.127 7.885 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -1.306 -11.178 8.941 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -1.305 -10.101 10.342 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -4.522 -8.829 9.740 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -3.099 -8.791 10.787 1.00 0.00 H new ATOM 1906 N TYR A 122 -6.700 -15.251 6.385 1.00 0.00 N ATOM 1907 CA TYR A 122 -8.134 -15.296 6.680 1.00 0.00 C ATOM 1908 C TYR A 122 -8.631 -16.742 6.846 1.00 0.00 C ATOM 1909 O TYR A 122 -9.770 -16.959 7.256 1.00 0.00 O ATOM 1910 CB TYR A 122 -8.883 -14.526 5.572 1.00 0.00 C ATOM 1911 CG TYR A 122 -10.401 -14.427 5.678 1.00 0.00 C ATOM 1912 CD1 TYR A 122 -11.044 -14.267 6.924 1.00 0.00 C ATOM 1913 CD2 TYR A 122 -11.182 -14.496 4.507 1.00 0.00 C ATOM 1914 CE1 TYR A 122 -12.446 -14.215 7.004 1.00 0.00 C ATOM 1915 CE2 TYR A 122 -12.586 -14.448 4.576 1.00 0.00 C ATOM 1916 CZ TYR A 122 -13.226 -14.322 5.830 1.00 0.00 C ATOM 1917 OH TYR A 122 -14.586 -14.309 5.923 1.00 0.00 O ATOM 0 H TYR A 122 -6.450 -15.759 5.537 1.00 0.00 H new ATOM 0 HA TYR A 122 -8.335 -14.812 7.636 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -8.483 -13.513 5.539 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -8.644 -14.995 4.618 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -10.453 -14.184 7.824 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -10.697 -14.587 3.546 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -12.928 -14.093 7.963 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -13.174 -14.507 3.672 1.00 0.00 H new ATOM 0 HH TYR A 122 -14.916 -13.399 5.767 1.00 0.00 H new ATOM 1927 N GLY A 123 -7.800 -17.751 6.566 1.00 0.00 N ATOM 1928 CA GLY A 123 -8.186 -19.158 6.691 1.00 0.00 C ATOM 1929 C GLY A 123 -8.903 -19.677 5.438 1.00 0.00 C ATOM 1930 O GLY A 123 -9.106 -20.884 5.303 1.00 0.00 O ATOM 0 H GLY A 123 -6.841 -17.614 6.246 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -7.297 -19.762 6.875 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.838 -19.278 7.556 1.00 0.00 H new ATOM 1934 N VAL A 124 -9.267 -18.787 4.512 1.00 0.00 N ATOM 1935 CA VAL A 124 -9.835 -19.088 3.207 1.00 0.00 C ATOM 1936 C VAL A 124 -9.457 -17.906 2.301 1.00 0.00 C ATOM 1937 O VAL A 124 -9.441 -16.765 2.769 1.00 0.00 O ATOM 1938 CB VAL A 124 -11.358 -19.331 3.344 1.00 0.00 C ATOM 1939 CG1 VAL A 124 -12.149 -18.128 3.885 1.00 0.00 C ATOM 1940 CG2 VAL A 124 -11.971 -19.807 2.021 1.00 0.00 C ATOM 0 H VAL A 124 -9.166 -17.784 4.666 1.00 0.00 H new ATOM 0 HA VAL A 124 -9.446 -20.005 2.764 1.00 0.00 H new ATOM 0 HB VAL A 124 -11.445 -20.118 4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -13.206 -18.386 3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -11.780 -17.866 4.876 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -12.023 -17.278 3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -13.041 -19.968 2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -11.810 -19.051 1.252 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -11.498 -20.741 1.716 1.00 0.00 H new ATOM 1950 N ALA A 125 -9.081 -18.172 1.045 1.00 0.00 N ATOM 1951 CA ALA A 125 -8.805 -17.123 0.073 1.00 0.00 C ATOM 1952 C ALA A 125 -9.987 -16.158 -0.049 1.00 0.00 C ATOM 1953 O ALA A 125 -9.749 -14.934 -0.112 1.00 0.00 O ATOM 1954 CB ALA A 125 -8.476 -17.740 -1.283 1.00 0.00 C ATOM 1955 OXT ALA A 125 -11.144 -16.622 -0.145 1.00 0.00 O ATOM 0 H ALA A 125 -8.962 -19.117 0.681 1.00 0.00 H new ATOM 0 HA ALA A 125 -7.944 -16.552 0.421 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -8.271 -16.948 -2.003 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -7.599 -18.380 -1.188 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -9.323 -18.334 -1.628 1.00 0.00 H new TER 1961 ALA A 125