USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 858 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 43 CYS SG : rot -66:sc= -7.58! USER MOD Set 1.2: A 97 GLN :FLIP amide:sc= 0.894 F(o=-7.6!,f=-6.7) USER MOD Set 2.1: A 54 GLN :FLIP amide:sc= -1.26 F(o=-4.7!,f=-1.5) USER MOD Set 2.2: A 55 ASN :FLIP amide:sc= -0.211 F(o=-2.5,f=-1.5) USER MOD Set 3.1: A 22 LYS NZ :NH3+ -168:sc= 0.139 (180deg=-0.00749) USER MOD Set 3.2: A 30 CYS SG : rot 160:sc= -0.488 USER MOD Set 4.1: A 11 GLN :FLIP amide:sc= -0.234 F(o=-2.7!,f=-0.2) USER MOD Set 4.2: A 20 TYR OH : rot -46:sc= 0.0312 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.0988 F(o=-5!,f=-0.099) USER MOD Single : A 15 ASN :FLIP amide:sc= -0.163 F(o=-0.71,f=-0.16) USER MOD Single : A 21 MET CE :methyl 142:sc= -0.974 (180deg=-5.25!) USER MOD Single : A 24 SER OG : rot 120:sc= -1.53! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 60:sc= 0 USER MOD Single : A 33 SER OG : rot 42:sc= -1.17! USER MOD Single : A 35 GLN :FLIP amide:sc= -5.66! C(o=-8.5!,f=-5.7!) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.187 F(o=-3.6!,f=-0.19) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot -62:sc= -1.41! USER MOD Single : A 67 ASN : amide:sc= -0.124 K(o=-0.12,f=-1.2) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.293 K(o=-0.29,f=-2.4!) USER MOD Single : A 84 CYS SG : rot 90:sc= 0.343 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc=-0.00694 X(o=-0.0069,f=-0.025) USER MOD Single : A 98 GLN :FLIP amide:sc= -0.37 F(o=-2.5!,f=-0.37) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 85:sc= -0.407 USER MOD Single : A 106 LYS NZ :NH3+ 172:sc= 1.22 (180deg=0.983) USER MOD Single : A 107 TYR OH : rot -46:sc= 1.21 USER MOD Single : A 108 LYS NZ :NH3+ -177:sc= -1.59 (180deg=-1.62) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N ILE A 5 13.013 8.851 3.496 1.00 0.00 N ATOM 60 CA ILE A 5 11.620 8.886 3.936 1.00 0.00 C ATOM 61 C ILE A 5 10.933 10.210 3.606 1.00 0.00 C ATOM 62 O ILE A 5 9.744 10.236 3.299 1.00 0.00 O ATOM 63 CB ILE A 5 11.532 8.612 5.454 1.00 0.00 C ATOM 64 CG1 ILE A 5 11.860 7.152 5.744 1.00 0.00 C ATOM 65 CG2 ILE A 5 10.152 8.945 5.983 1.00 0.00 C ATOM 66 CD1 ILE A 5 12.060 6.851 7.213 1.00 0.00 C ATOM 0 HA ILE A 5 11.095 8.103 3.389 1.00 0.00 H new ATOM 0 HB ILE A 5 12.258 9.250 5.958 1.00 0.00 H new ATOM 0 HG12 ILE A 5 11.055 6.525 5.361 1.00 0.00 H new ATOM 0 HG13 ILE A 5 12.764 6.877 5.200 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.114 8.744 7.054 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.938 9.999 5.804 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.409 8.332 5.473 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.290 5.793 7.340 1.00 0.00 H new ATOM 0 HD12 ILE A 5 12.885 7.450 7.598 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.149 7.093 7.761 1.00 0.00 H new ATOM 78 N GLU A 6 11.669 11.303 3.715 1.00 0.00 N ATOM 79 CA GLU A 6 11.114 12.631 3.476 1.00 0.00 C ATOM 80 C GLU A 6 10.505 12.732 2.070 1.00 0.00 C ATOM 81 O GLU A 6 9.348 13.131 1.916 1.00 0.00 O ATOM 82 CB GLU A 6 12.203 13.683 3.683 1.00 0.00 C ATOM 83 CG GLU A 6 12.846 13.597 5.063 1.00 0.00 C ATOM 84 CD GLU A 6 13.920 14.640 5.297 1.00 0.00 C ATOM 85 OE1 GLU A 6 14.144 15.484 4.407 1.00 0.00 O ATOM 86 OE2 GLU A 6 14.536 14.628 6.385 1.00 0.00 O ATOM 0 H GLU A 6 12.657 11.300 3.968 1.00 0.00 H new ATOM 0 HA GLU A 6 10.309 12.811 4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.971 13.560 2.920 1.00 0.00 H new ATOM 0 HB3 GLU A 6 11.774 14.676 3.547 1.00 0.00 H new ATOM 0 HG2 GLU A 6 12.072 13.707 5.823 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.280 12.605 5.191 1.00 0.00 H new ATOM 93 N LYS A 7 11.218 12.209 1.079 1.00 0.00 N ATOM 94 CA LYS A 7 10.692 12.073 -0.259 1.00 0.00 C ATOM 95 C LYS A 7 9.621 10.984 -0.296 1.00 0.00 C ATOM 96 O LYS A 7 8.572 11.149 -0.917 1.00 0.00 O ATOM 97 CB LYS A 7 11.845 11.732 -1.205 1.00 0.00 C ATOM 98 CG LYS A 7 11.433 11.261 -2.586 1.00 0.00 C ATOM 99 CD LYS A 7 10.887 12.366 -3.501 1.00 0.00 C ATOM 100 CE LYS A 7 9.540 12.917 -3.057 1.00 0.00 C ATOM 101 NZ LYS A 7 9.008 13.929 -4.008 1.00 0.00 N ATOM 0 H LYS A 7 12.174 11.870 1.188 1.00 0.00 H new ATOM 0 HA LYS A 7 10.229 13.008 -0.574 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.477 12.613 -1.313 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.456 10.957 -0.742 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.294 10.799 -3.070 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.673 10.487 -2.480 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.608 13.182 -3.541 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.793 11.974 -4.514 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.827 12.098 -2.964 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.641 13.366 -2.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.090 14.277 -3.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.675 14.724 -4.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.887 13.495 -4.945 1.00 0.00 H new ATOM 115 N ILE A 8 9.918 9.854 0.333 1.00 0.00 N ATOM 116 CA ILE A 8 9.022 8.714 0.324 1.00 0.00 C ATOM 117 C ILE A 8 7.616 9.068 0.806 1.00 0.00 C ATOM 118 O ILE A 8 6.637 8.690 0.167 1.00 0.00 O ATOM 119 CB ILE A 8 9.593 7.572 1.181 1.00 0.00 C ATOM 120 CG1 ILE A 8 10.898 7.058 0.568 1.00 0.00 C ATOM 121 CG2 ILE A 8 8.578 6.455 1.313 1.00 0.00 C ATOM 122 CD1 ILE A 8 11.578 5.984 1.387 1.00 0.00 C ATOM 0 H ILE A 8 10.780 9.706 0.858 1.00 0.00 H new ATOM 0 HA ILE A 8 8.941 8.389 -0.713 1.00 0.00 H new ATOM 0 HB ILE A 8 9.809 7.951 2.180 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.691 6.665 -0.427 1.00 0.00 H new ATOM 0 HG13 ILE A 8 11.584 7.896 0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 8 8.996 5.654 1.922 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.675 6.838 1.788 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.332 6.068 0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 8 12.495 5.671 0.888 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.819 6.377 2.375 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.911 5.128 1.490 1.00 0.00 H new ATOM 134 N GLN A 9 7.505 9.783 1.920 1.00 0.00 N ATOM 135 CA GLN A 9 6.194 10.149 2.446 1.00 0.00 C ATOM 136 C GLN A 9 5.431 11.056 1.496 1.00 0.00 C ATOM 137 O GLN A 9 4.244 10.847 1.263 1.00 0.00 O ATOM 138 CB GLN A 9 6.288 10.781 3.836 1.00 0.00 C ATOM 139 CG GLN A 9 6.674 9.792 4.920 1.00 0.00 C ATOM 140 CD GLN A 9 6.593 10.373 6.319 1.00 0.00 C ATOM 141 OE1 GLN A 9 7.668 10.251 7.073 1.00 0.00 O flip ATOM 142 NE2 GLN A 9 5.556 10.895 6.731 1.00 0.00 N flip ATOM 0 H GLN A 9 8.296 10.117 2.471 1.00 0.00 H new ATOM 0 HA GLN A 9 5.634 9.219 2.541 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.021 11.588 3.812 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.328 11.230 4.089 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.021 8.922 4.857 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.690 9.442 4.738 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.745 10.971 6.117 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.509 11.251 7.686 1.00 0.00 H new ATOM 151 N ARG A 10 6.130 11.989 0.876 1.00 0.00 N ATOM 152 CA ARG A 10 5.521 12.836 -0.141 1.00 0.00 C ATOM 153 C ARG A 10 5.020 11.990 -1.304 1.00 0.00 C ATOM 154 O ARG A 10 3.991 12.290 -1.909 1.00 0.00 O ATOM 155 CB ARG A 10 6.516 13.890 -0.630 1.00 0.00 C ATOM 156 CG ARG A 10 6.913 14.915 0.429 1.00 0.00 C ATOM 157 CD ARG A 10 5.772 15.860 0.779 1.00 0.00 C ATOM 158 NE ARG A 10 4.615 15.178 1.348 1.00 0.00 N ATOM 159 CZ ARG A 10 4.578 14.593 2.551 1.00 0.00 C ATOM 160 NH1 ARG A 10 5.599 14.713 3.395 1.00 0.00 N ATOM 161 NH2 ARG A 10 3.493 13.924 2.923 1.00 0.00 N ATOM 0 H ARG A 10 7.115 12.181 1.055 1.00 0.00 H new ATOM 0 HA ARG A 10 4.669 13.352 0.303 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.415 13.387 -0.987 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.083 14.414 -1.482 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.240 14.395 1.330 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.763 15.494 0.069 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.131 16.606 1.488 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.464 16.396 -0.119 1.00 0.00 H new ATOM 0 HE ARG A 10 3.766 15.144 0.784 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.421 15.255 3.128 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.560 14.263 4.310 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.694 13.858 2.293 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.459 13.476 3.839 1.00 0.00 H new ATOM 175 N GLN A 11 5.745 10.918 -1.593 1.00 0.00 N ATOM 176 CA GLN A 11 5.375 10.006 -2.667 1.00 0.00 C ATOM 177 C GLN A 11 4.187 9.139 -2.247 1.00 0.00 C ATOM 178 O GLN A 11 3.273 8.902 -3.030 1.00 0.00 O ATOM 179 CB GLN A 11 6.598 9.169 -3.091 1.00 0.00 C ATOM 180 CG GLN A 11 6.370 8.245 -4.289 1.00 0.00 C ATOM 181 CD GLN A 11 5.763 6.894 -3.935 1.00 0.00 C ATOM 182 OE1 GLN A 11 5.712 6.576 -2.653 1.00 0.00 O flip ATOM 183 NE2 GLN A 11 5.392 6.118 -4.819 1.00 0.00 N flip ATOM 0 H GLN A 11 6.597 10.658 -1.096 1.00 0.00 H new ATOM 0 HA GLN A 11 5.055 10.578 -3.538 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.419 9.847 -3.326 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.917 8.565 -2.242 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.716 8.748 -5.001 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.323 8.081 -4.792 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.446 6.397 -5.798 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.031 5.197 -4.571 1.00 0.00 H new ATOM 192 N ILE A 12 4.196 8.670 -1.006 1.00 0.00 N ATOM 193 CA ILE A 12 3.104 7.843 -0.503 1.00 0.00 C ATOM 194 C ILE A 12 1.816 8.650 -0.410 1.00 0.00 C ATOM 195 O ILE A 12 0.751 8.187 -0.815 1.00 0.00 O ATOM 196 CB ILE A 12 3.425 7.239 0.884 1.00 0.00 C ATOM 197 CG1 ILE A 12 4.696 6.391 0.819 1.00 0.00 C ATOM 198 CG2 ILE A 12 2.257 6.410 1.390 1.00 0.00 C ATOM 199 CD1 ILE A 12 4.998 5.643 2.096 1.00 0.00 C ATOM 0 H ILE A 12 4.941 8.846 -0.332 1.00 0.00 H new ATOM 0 HA ILE A 12 2.977 7.026 -1.213 1.00 0.00 H new ATOM 0 HB ILE A 12 3.593 8.058 1.584 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.602 5.674 0.003 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.540 7.037 0.579 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.503 5.994 2.367 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.373 7.042 1.476 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.056 5.599 0.690 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.914 5.065 1.971 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.126 6.354 2.912 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.173 4.970 2.327 1.00 0.00 H new ATOM 211 N ALA A 13 1.930 9.847 0.143 1.00 0.00 N ATOM 212 CA ALA A 13 0.789 10.736 0.325 1.00 0.00 C ATOM 213 C ALA A 13 0.159 11.130 -1.005 1.00 0.00 C ATOM 214 O ALA A 13 -1.064 11.258 -1.101 1.00 0.00 O ATOM 215 CB ALA A 13 1.206 11.979 1.095 1.00 0.00 C ATOM 0 H ALA A 13 2.813 10.231 0.478 1.00 0.00 H new ATOM 0 HA ALA A 13 0.038 10.192 0.898 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.344 12.634 1.223 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.591 11.689 2.073 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.983 12.506 0.541 1.00 0.00 H new ATOM 221 N GLU A 14 0.994 11.386 -2.013 1.00 0.00 N ATOM 222 CA GLU A 14 0.491 11.839 -3.306 1.00 0.00 C ATOM 223 C GLU A 14 -0.348 10.757 -3.979 1.00 0.00 C ATOM 224 O GLU A 14 -1.350 11.063 -4.627 1.00 0.00 O ATOM 225 CB GLU A 14 1.612 12.323 -4.232 1.00 0.00 C ATOM 226 CG GLU A 14 2.601 11.255 -4.639 1.00 0.00 C ATOM 227 CD GLU A 14 3.671 11.785 -5.569 1.00 0.00 C ATOM 228 OE1 GLU A 14 3.319 12.279 -6.661 1.00 0.00 O ATOM 229 OE2 GLU A 14 4.867 11.725 -5.215 1.00 0.00 O ATOM 0 H GLU A 14 2.008 11.289 -1.959 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.151 12.698 -3.111 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.164 12.746 -5.131 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.152 13.129 -3.735 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.071 10.840 -3.747 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.070 10.439 -5.128 1.00 0.00 H new ATOM 236 N ASN A 15 -0.005 9.493 -3.753 1.00 0.00 N ATOM 237 CA ASN A 15 -0.822 8.405 -4.274 1.00 0.00 C ATOM 238 C ASN A 15 -2.068 8.244 -3.424 1.00 0.00 C ATOM 239 O ASN A 15 -1.988 8.122 -2.203 1.00 0.00 O ATOM 240 CB ASN A 15 -0.039 7.090 -4.317 1.00 0.00 C ATOM 241 CG ASN A 15 1.100 7.122 -5.307 1.00 0.00 C ATOM 242 OD1 ASN A 15 2.306 6.884 -4.831 1.00 0.00 O flip ATOM 243 ND2 ASN A 15 0.892 7.346 -6.497 1.00 0.00 N flip ATOM 0 H ASN A 15 0.816 9.201 -3.223 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.110 8.655 -5.295 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.354 6.874 -3.324 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -0.717 6.277 -4.576 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.057 7.525 -6.824 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.669 7.352 -7.158 1.00 0.00 H new ATOM 250 N PRO A 16 -3.247 8.285 -4.059 1.00 0.00 N ATOM 251 CA PRO A 16 -4.524 8.191 -3.351 1.00 0.00 C ATOM 252 C PRO A 16 -4.682 6.875 -2.632 1.00 0.00 C ATOM 253 O PRO A 16 -5.110 6.824 -1.486 1.00 0.00 O ATOM 254 CB PRO A 16 -5.558 8.276 -4.482 1.00 0.00 C ATOM 255 CG PRO A 16 -4.846 8.953 -5.600 1.00 0.00 C ATOM 256 CD PRO A 16 -3.428 8.480 -5.505 1.00 0.00 C ATOM 0 HA PRO A 16 -4.621 8.963 -2.588 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.904 7.285 -4.776 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.437 8.842 -4.173 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.285 8.691 -6.563 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.907 10.037 -5.507 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.272 7.555 -6.061 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.729 9.214 -5.905 1.00 0.00 H new ATOM 264 N ILE A 17 -4.302 5.818 -3.305 1.00 0.00 N ATOM 265 CA ILE A 17 -4.380 4.494 -2.740 1.00 0.00 C ATOM 266 C ILE A 17 -3.084 3.796 -3.090 1.00 0.00 C ATOM 267 O ILE A 17 -2.669 3.836 -4.246 1.00 0.00 O ATOM 268 CB ILE A 17 -5.567 3.704 -3.346 1.00 0.00 C ATOM 269 CG1 ILE A 17 -6.873 4.525 -3.314 1.00 0.00 C ATOM 270 CG2 ILE A 17 -5.759 2.389 -2.609 1.00 0.00 C ATOM 271 CD1 ILE A 17 -7.365 4.886 -1.924 1.00 0.00 C ATOM 0 H ILE A 17 -3.932 5.850 -4.255 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.534 4.550 -1.662 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.327 3.499 -4.389 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.722 5.444 -3.880 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.653 3.960 -3.825 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.597 1.846 -3.046 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.853 1.789 -2.694 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.965 2.588 -1.557 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.287 5.462 -2.003 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.554 3.975 -1.357 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.608 5.481 -1.413 1.00 0.00 H new ATOM 283 N LEU A 18 -2.348 3.347 -2.091 1.00 0.00 N ATOM 284 CA LEU A 18 -1.001 2.879 -2.345 1.00 0.00 C ATOM 285 C LEU A 18 -0.742 1.545 -1.665 1.00 0.00 C ATOM 286 O LEU A 18 -1.254 1.269 -0.588 1.00 0.00 O ATOM 287 CB LEU A 18 0.013 3.926 -1.887 1.00 0.00 C ATOM 288 CG LEU A 18 1.444 3.692 -2.359 1.00 0.00 C ATOM 289 CD1 LEU A 18 1.496 3.631 -3.880 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.341 4.803 -1.838 1.00 0.00 C ATOM 0 H LEU A 18 -2.651 3.297 -1.118 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.889 2.727 -3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.314 4.904 -2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.008 3.962 -0.798 1.00 0.00 H new ATOM 0 HG LEU A 18 1.799 2.738 -1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.524 3.464 -4.203 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.867 2.814 -4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.134 4.572 -4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.363 4.634 -2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.988 5.763 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.316 4.810 -0.748 1.00 0.00 H new ATOM 302 N LEU A 19 -0.009 0.699 -2.347 1.00 0.00 N ATOM 303 CA LEU A 19 0.266 -0.643 -1.884 1.00 0.00 C ATOM 304 C LEU A 19 1.723 -0.989 -2.121 1.00 0.00 C ATOM 305 O LEU A 19 2.164 -1.060 -3.252 1.00 0.00 O ATOM 306 CB LEU A 19 -0.646 -1.609 -2.645 1.00 0.00 C ATOM 307 CG LEU A 19 -0.214 -3.073 -2.657 1.00 0.00 C ATOM 308 CD1 LEU A 19 -0.129 -3.640 -1.247 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.177 -3.887 -3.502 1.00 0.00 C ATOM 0 H LEU A 19 0.418 0.922 -3.246 1.00 0.00 H new ATOM 0 HA LEU A 19 0.073 -0.719 -0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.645 -1.550 -2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.724 -1.266 -3.677 1.00 0.00 H new ATOM 0 HG LEU A 19 0.783 -3.131 -3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.181 -4.684 -1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.599 -3.070 -0.669 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.106 -3.572 -0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.864 -4.931 -3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.181 -3.811 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.179 -3.504 -4.522 1.00 0.00 H new ATOM 321 N TYR A 20 2.452 -1.290 -1.067 1.00 0.00 N ATOM 322 CA TYR A 20 3.826 -1.716 -1.227 1.00 0.00 C ATOM 323 C TYR A 20 3.933 -3.229 -1.195 1.00 0.00 C ATOM 324 O TYR A 20 3.595 -3.865 -0.197 1.00 0.00 O ATOM 325 CB TYR A 20 4.723 -1.103 -0.157 1.00 0.00 C ATOM 326 CG TYR A 20 5.086 0.339 -0.414 1.00 0.00 C ATOM 327 CD1 TYR A 20 4.120 1.321 -0.580 1.00 0.00 C ATOM 328 CD2 TYR A 20 6.422 0.712 -0.494 1.00 0.00 C ATOM 329 CE1 TYR A 20 4.479 2.628 -0.823 1.00 0.00 C ATOM 330 CE2 TYR A 20 6.786 2.015 -0.739 1.00 0.00 C ATOM 331 CZ TYR A 20 5.810 2.971 -0.900 1.00 0.00 C ATOM 332 OH TYR A 20 6.168 4.274 -1.143 1.00 0.00 O ATOM 0 H TYR A 20 2.122 -1.249 -0.103 1.00 0.00 H new ATOM 0 HA TYR A 20 4.166 -1.364 -2.201 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.221 -1.174 0.808 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.638 -1.690 -0.084 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.075 1.057 -0.518 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.189 -0.036 -0.361 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.718 3.383 -0.953 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.829 2.286 -0.805 1.00 0.00 H new ATOM 0 HH TYR A 20 5.622 4.632 -1.874 1.00 0.00 H new ATOM 342 N MET A 21 4.436 -3.790 -2.284 1.00 0.00 N ATOM 343 CA MET A 21 4.634 -5.221 -2.394 1.00 0.00 C ATOM 344 C MET A 21 5.872 -5.544 -3.237 1.00 0.00 C ATOM 345 O MET A 21 6.667 -4.659 -3.536 1.00 0.00 O ATOM 346 CB MET A 21 3.375 -5.852 -2.965 1.00 0.00 C ATOM 347 CG MET A 21 2.870 -5.235 -4.257 1.00 0.00 C ATOM 348 SD MET A 21 1.279 -5.931 -4.745 1.00 0.00 S ATOM 349 CE MET A 21 0.952 -5.068 -6.277 1.00 0.00 C ATOM 0 H MET A 21 4.717 -3.265 -3.112 1.00 0.00 H new ATOM 0 HA MET A 21 4.817 -5.642 -1.405 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.565 -6.911 -3.137 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.585 -5.787 -2.217 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.774 -4.156 -4.133 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.599 -5.401 -5.050 1.00 0.00 H new ATOM 0 HE1 MET A 21 0.485 -5.751 -6.987 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.283 -4.229 -6.086 1.00 0.00 H new ATOM 0 HE3 MET A 21 1.889 -4.697 -6.693 1.00 0.00 H new ATOM 359 N LYS A 22 6.083 -6.810 -3.583 1.00 0.00 N ATOM 360 CA LYS A 22 7.282 -7.169 -4.334 1.00 0.00 C ATOM 361 C LYS A 22 6.958 -7.225 -5.808 1.00 0.00 C ATOM 362 O LYS A 22 6.065 -7.939 -6.230 1.00 0.00 O ATOM 363 CB LYS A 22 7.838 -8.511 -3.848 1.00 0.00 C ATOM 364 CG LYS A 22 9.141 -8.952 -4.506 1.00 0.00 C ATOM 365 CD LYS A 22 9.689 -10.204 -3.825 1.00 0.00 C ATOM 366 CE LYS A 22 11.014 -10.665 -4.420 1.00 0.00 C ATOM 367 NZ LYS A 22 10.881 -11.127 -5.828 1.00 0.00 N ATOM 0 H LYS A 22 5.459 -7.586 -3.363 1.00 0.00 H new ATOM 0 HA LYS A 22 8.047 -6.410 -4.170 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.996 -8.452 -2.771 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.085 -9.281 -4.018 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.971 -9.152 -5.564 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.875 -8.148 -4.447 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.823 -10.005 -2.762 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.958 -11.008 -3.910 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.732 -9.846 -4.377 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.418 -11.475 -3.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.753 -11.614 -6.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.077 -11.782 -5.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.720 -10.308 -6.448 1.00 0.00 H new ATOM 381 N GLY A 23 7.639 -6.396 -6.566 1.00 0.00 N ATOM 382 CA GLY A 23 7.343 -6.271 -7.980 1.00 0.00 C ATOM 383 C GLY A 23 8.210 -7.169 -8.821 1.00 0.00 C ATOM 384 O GLY A 23 9.101 -6.705 -9.527 1.00 0.00 O ATOM 0 H GLY A 23 8.397 -5.801 -6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.295 -6.514 -8.153 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.486 -5.236 -8.290 1.00 0.00 H new ATOM 388 N SER A 24 7.942 -8.461 -8.743 1.00 0.00 N ATOM 389 CA SER A 24 8.692 -9.436 -9.508 1.00 0.00 C ATOM 390 C SER A 24 8.195 -9.442 -10.951 1.00 0.00 C ATOM 391 O SER A 24 7.006 -9.280 -11.193 1.00 0.00 O ATOM 392 CB SER A 24 8.532 -10.820 -8.868 1.00 0.00 C ATOM 393 OG SER A 24 9.289 -11.805 -9.546 1.00 0.00 O ATOM 0 H SER A 24 7.208 -8.858 -8.156 1.00 0.00 H new ATOM 0 HA SER A 24 9.750 -9.175 -9.508 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.845 -10.776 -7.825 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.479 -11.103 -8.874 1.00 0.00 H new ATOM 0 HG SER A 24 9.937 -12.202 -8.928 1.00 0.00 H new ATOM 399 N PRO A 25 9.086 -9.608 -11.936 1.00 0.00 N ATOM 400 CA PRO A 25 8.690 -9.625 -13.348 1.00 0.00 C ATOM 401 C PRO A 25 7.606 -10.669 -13.612 1.00 0.00 C ATOM 402 O PRO A 25 6.630 -10.410 -14.318 1.00 0.00 O ATOM 403 CB PRO A 25 9.983 -9.992 -14.078 1.00 0.00 C ATOM 404 CG PRO A 25 11.074 -9.577 -13.153 1.00 0.00 C ATOM 405 CD PRO A 25 10.538 -9.783 -11.764 1.00 0.00 C ATOM 0 HA PRO A 25 8.267 -8.675 -13.674 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.028 -11.060 -14.289 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.057 -9.475 -15.035 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.972 -10.172 -13.317 1.00 0.00 H new ATOM 0 HG3 PRO A 25 11.348 -8.535 -13.315 1.00 0.00 H new ATOM 0 HD2 PRO A 25 10.782 -10.774 -11.381 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.951 -9.059 -11.061 1.00 0.00 H new ATOM 413 N LYS A 26 7.767 -11.829 -12.981 1.00 0.00 N ATOM 414 CA LYS A 26 6.797 -12.918 -13.065 1.00 0.00 C ATOM 415 C LYS A 26 5.480 -12.562 -12.368 1.00 0.00 C ATOM 416 O LYS A 26 4.415 -13.044 -12.761 1.00 0.00 O ATOM 417 CB LYS A 26 7.391 -14.206 -12.480 1.00 0.00 C ATOM 418 CG LYS A 26 7.832 -14.085 -11.032 1.00 0.00 C ATOM 419 CD LYS A 26 8.480 -15.367 -10.537 1.00 0.00 C ATOM 420 CE LYS A 26 8.967 -15.222 -9.106 1.00 0.00 C ATOM 421 NZ LYS A 26 9.639 -16.453 -8.615 1.00 0.00 N ATOM 0 H LYS A 26 8.575 -12.041 -12.396 1.00 0.00 H new ATOM 0 HA LYS A 26 6.571 -13.081 -14.119 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.651 -15.002 -12.558 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.247 -14.506 -13.085 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.536 -13.259 -10.933 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.971 -13.847 -10.407 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.764 -16.186 -10.598 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.318 -15.627 -11.184 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.659 -14.382 -9.043 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.122 -14.988 -8.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.955 -16.309 -7.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.972 -17.250 -8.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.461 -16.663 -9.216 1.00 0.00 H new ATOM 435 N LEU A 27 5.556 -11.731 -11.330 1.00 0.00 N ATOM 436 CA LEU A 27 4.377 -11.328 -10.576 1.00 0.00 C ATOM 437 C LEU A 27 4.675 -10.055 -9.797 1.00 0.00 C ATOM 438 O LEU A 27 5.528 -10.060 -8.907 1.00 0.00 O ATOM 439 CB LEU A 27 4.002 -12.421 -9.579 1.00 0.00 C ATOM 440 CG LEU A 27 2.709 -12.183 -8.795 1.00 0.00 C ATOM 441 CD1 LEU A 27 1.513 -12.125 -9.735 1.00 0.00 C ATOM 442 CD2 LEU A 27 2.513 -13.269 -7.750 1.00 0.00 C ATOM 0 H LEU A 27 6.428 -11.323 -10.993 1.00 0.00 H new ATOM 0 HA LEU A 27 3.557 -11.159 -11.274 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.911 -13.364 -10.118 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.821 -12.537 -8.869 1.00 0.00 H new ATOM 0 HG LEU A 27 2.790 -11.223 -8.285 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.604 -11.955 -9.158 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.648 -11.310 -10.446 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.429 -13.068 -10.275 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.589 -13.084 -7.202 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.455 -14.240 -8.241 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.354 -13.262 -7.056 1.00 0.00 H new ATOM 454 N PRO A 28 3.984 -8.950 -10.115 1.00 0.00 N ATOM 455 CA PRO A 28 4.182 -7.659 -9.445 1.00 0.00 C ATOM 456 C PRO A 28 3.652 -7.643 -8.012 1.00 0.00 C ATOM 457 O PRO A 28 3.302 -6.589 -7.485 1.00 0.00 O ATOM 458 CB PRO A 28 3.381 -6.670 -10.309 1.00 0.00 C ATOM 459 CG PRO A 28 3.021 -7.415 -11.548 1.00 0.00 C ATOM 460 CD PRO A 28 2.965 -8.861 -11.160 1.00 0.00 C ATOM 0 HA PRO A 28 5.242 -7.420 -9.360 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.489 -6.327 -9.786 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.974 -5.785 -10.542 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.061 -7.079 -11.940 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.761 -7.250 -12.331 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.979 -9.144 -10.790 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.189 -9.516 -12.002 1.00 0.00 H new ATOM 468 N SER A 29 3.672 -8.800 -7.371 1.00 0.00 N ATOM 469 CA SER A 29 3.274 -8.934 -5.987 1.00 0.00 C ATOM 470 C SER A 29 3.787 -10.236 -5.395 1.00 0.00 C ATOM 471 O SER A 29 3.082 -10.926 -4.655 1.00 0.00 O ATOM 472 CB SER A 29 1.771 -8.835 -5.872 1.00 0.00 C ATOM 473 OG SER A 29 1.114 -9.650 -6.831 1.00 0.00 O ATOM 0 H SER A 29 3.967 -9.676 -7.803 1.00 0.00 H new ATOM 0 HA SER A 29 3.719 -8.120 -5.415 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.463 -9.133 -4.870 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.464 -7.798 -6.005 1.00 0.00 H new ATOM 0 HG SER A 29 1.370 -10.586 -6.695 1.00 0.00 H new ATOM 479 N CYS A 30 5.056 -10.504 -5.648 1.00 0.00 N ATOM 480 CA CYS A 30 5.732 -11.648 -5.071 1.00 0.00 C ATOM 481 C CYS A 30 5.810 -11.488 -3.553 1.00 0.00 C ATOM 482 O CYS A 30 5.817 -10.370 -3.040 1.00 0.00 O ATOM 483 CB CYS A 30 7.127 -11.784 -5.687 1.00 0.00 C ATOM 484 SG CYS A 30 8.048 -13.242 -5.153 1.00 0.00 S ATOM 0 H CYS A 30 5.644 -9.935 -6.258 1.00 0.00 H new ATOM 0 HA CYS A 30 5.172 -12.558 -5.288 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.029 -11.810 -6.772 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.707 -10.894 -5.440 1.00 0.00 H new ATOM 0 HG CYS A 30 8.991 -13.498 -6.011 1.00 0.00 H new ATOM 490 N GLY A 31 5.761 -12.590 -2.836 1.00 0.00 N ATOM 491 CA GLY A 31 5.724 -12.520 -1.395 1.00 0.00 C ATOM 492 C GLY A 31 4.344 -12.808 -0.855 1.00 0.00 C ATOM 493 O GLY A 31 3.620 -13.635 -1.409 1.00 0.00 O ATOM 0 H GLY A 31 5.746 -13.534 -3.223 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.434 -13.234 -0.978 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.042 -11.529 -1.071 1.00 0.00 H new ATOM 497 N PHE A 32 3.945 -12.085 0.180 1.00 0.00 N ATOM 498 CA PHE A 32 2.611 -12.241 0.732 1.00 0.00 C ATOM 499 C PHE A 32 1.598 -11.529 -0.123 1.00 0.00 C ATOM 500 O PHE A 32 0.462 -11.947 -0.230 1.00 0.00 O ATOM 501 CB PHE A 32 2.507 -11.703 2.155 1.00 0.00 C ATOM 502 CG PHE A 32 3.247 -12.500 3.178 1.00 0.00 C ATOM 503 CD1 PHE A 32 4.629 -12.576 3.169 1.00 0.00 C ATOM 504 CD2 PHE A 32 2.545 -13.154 4.175 1.00 0.00 C ATOM 505 CE1 PHE A 32 5.300 -13.300 4.134 1.00 0.00 C ATOM 506 CE2 PHE A 32 3.209 -13.878 5.144 1.00 0.00 C ATOM 507 CZ PHE A 32 4.588 -13.953 5.122 1.00 0.00 C ATOM 0 H PHE A 32 4.523 -11.389 0.651 1.00 0.00 H new ATOM 0 HA PHE A 32 2.408 -13.312 0.749 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.882 -10.680 2.170 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.455 -11.662 2.437 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.188 -12.064 2.400 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.467 -13.097 4.195 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.378 -13.356 4.117 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.652 -14.385 5.918 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.110 -14.522 5.877 1.00 0.00 H new ATOM 517 N SER A 33 1.987 -10.379 -0.624 1.00 0.00 N ATOM 518 CA SER A 33 1.087 -9.500 -1.344 1.00 0.00 C ATOM 519 C SER A 33 0.233 -10.211 -2.395 1.00 0.00 C ATOM 520 O SER A 33 -0.843 -9.727 -2.724 1.00 0.00 O ATOM 521 CB SER A 33 1.881 -8.379 -1.961 1.00 0.00 C ATOM 522 OG SER A 33 2.994 -8.881 -2.686 1.00 0.00 O ATOM 0 H SER A 33 2.940 -10.023 -0.545 1.00 0.00 H new ATOM 0 HA SER A 33 0.375 -9.105 -0.619 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.241 -7.799 -2.626 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.227 -7.701 -1.180 1.00 0.00 H new ATOM 0 HG SER A 33 2.722 -9.672 -3.197 1.00 0.00 H new ATOM 528 N ALA A 34 0.654 -11.400 -2.822 1.00 0.00 N ATOM 529 CA ALA A 34 -0.148 -12.219 -3.719 1.00 0.00 C ATOM 530 C ALA A 34 -1.582 -12.370 -3.195 1.00 0.00 C ATOM 531 O ALA A 34 -2.538 -12.168 -3.946 1.00 0.00 O ATOM 532 CB ALA A 34 0.500 -13.582 -3.908 1.00 0.00 C ATOM 0 H ALA A 34 1.548 -11.815 -2.559 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.197 -11.718 -4.686 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.110 -14.185 -4.581 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.495 -13.456 -4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.580 -14.084 -2.944 1.00 0.00 H new ATOM 538 N GLN A 35 -1.740 -12.603 -1.887 1.00 0.00 N ATOM 539 CA GLN A 35 -3.072 -12.622 -1.288 1.00 0.00 C ATOM 540 C GLN A 35 -3.626 -11.215 -1.023 1.00 0.00 C ATOM 541 O GLN A 35 -4.833 -10.995 -1.102 1.00 0.00 O ATOM 542 CB GLN A 35 -3.170 -13.528 -0.027 1.00 0.00 C ATOM 543 CG GLN A 35 -1.882 -13.890 0.718 1.00 0.00 C ATOM 544 CD GLN A 35 -1.293 -12.795 1.597 1.00 0.00 C ATOM 545 OE1 GLN A 35 -1.821 -11.590 1.525 1.00 0.00 O flip ATOM 546 NE2 GLN A 35 -0.336 -13.034 2.329 1.00 0.00 N flip ATOM 0 H GLN A 35 -0.975 -12.778 -1.236 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.714 -13.079 -2.041 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.836 -13.037 0.683 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.653 -14.459 -0.325 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.078 -14.763 1.341 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.131 -14.184 -0.015 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.055 -13.976 2.367 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.068 -12.291 2.899 1.00 0.00 H new ATOM 555 N ALA A 36 -2.762 -10.294 -0.620 1.00 0.00 N ATOM 556 CA ALA A 36 -3.188 -8.951 -0.230 1.00 0.00 C ATOM 557 C ALA A 36 -3.745 -8.159 -1.407 1.00 0.00 C ATOM 558 O ALA A 36 -4.766 -7.480 -1.289 1.00 0.00 O ATOM 559 CB ALA A 36 -2.027 -8.204 0.399 1.00 0.00 C ATOM 0 H ALA A 36 -1.756 -10.450 -0.553 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.993 -9.060 0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.351 -7.204 0.687 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.683 -8.743 1.282 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.211 -8.128 -0.320 1.00 0.00 H new ATOM 565 N VAL A 37 -3.034 -8.213 -2.519 1.00 0.00 N ATOM 566 CA VAL A 37 -3.398 -7.465 -3.717 1.00 0.00 C ATOM 567 C VAL A 37 -4.821 -7.811 -4.160 1.00 0.00 C ATOM 568 O VAL A 37 -5.569 -6.950 -4.626 1.00 0.00 O ATOM 569 CB VAL A 37 -2.389 -7.734 -4.866 1.00 0.00 C ATOM 570 CG1 VAL A 37 -2.434 -9.182 -5.330 1.00 0.00 C ATOM 571 CG2 VAL A 37 -2.618 -6.789 -6.036 1.00 0.00 C ATOM 0 H VAL A 37 -2.189 -8.775 -2.621 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.362 -6.403 -3.475 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.393 -7.545 -4.465 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.713 -9.329 -6.135 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.186 -9.839 -4.496 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.435 -9.417 -5.692 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.896 -7.003 -6.824 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.628 -6.927 -6.423 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.495 -5.759 -5.701 1.00 0.00 H new ATOM 581 N GLN A 38 -5.185 -9.078 -3.997 1.00 0.00 N ATOM 582 CA GLN A 38 -6.509 -9.549 -4.368 1.00 0.00 C ATOM 583 C GLN A 38 -7.581 -8.935 -3.483 1.00 0.00 C ATOM 584 O GLN A 38 -8.599 -8.469 -3.980 1.00 0.00 O ATOM 585 CB GLN A 38 -6.564 -11.074 -4.290 1.00 0.00 C ATOM 586 CG GLN A 38 -5.519 -11.733 -5.157 1.00 0.00 C ATOM 587 CD GLN A 38 -5.776 -11.454 -6.623 1.00 0.00 C ATOM 588 OE1 GLN A 38 -5.278 -10.332 -7.091 1.00 0.00 O flip ATOM 589 NE2 GLN A 38 -6.529 -12.170 -7.284 1.00 0.00 N flip ATOM 0 H GLN A 38 -4.577 -9.798 -3.608 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.705 -9.237 -5.394 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.424 -11.387 -3.255 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.553 -11.415 -4.595 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.530 -11.368 -4.882 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.522 -12.809 -4.982 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.894 -13.034 -6.883 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.788 -11.899 -8.233 1.00 0.00 H new ATOM 598 N ALA A 39 -7.350 -8.945 -2.174 1.00 0.00 N ATOM 599 CA ALA A 39 -8.311 -8.401 -1.219 1.00 0.00 C ATOM 600 C ALA A 39 -8.595 -6.929 -1.486 1.00 0.00 C ATOM 601 O ALA A 39 -9.723 -6.468 -1.312 1.00 0.00 O ATOM 602 CB ALA A 39 -7.820 -8.585 0.207 1.00 0.00 C ATOM 0 H ALA A 39 -6.504 -9.325 -1.749 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.241 -8.955 -1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.553 -8.172 0.900 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.686 -9.647 0.411 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.869 -8.068 0.334 1.00 0.00 H new ATOM 608 N LEU A 40 -7.554 -6.183 -1.825 1.00 0.00 N ATOM 609 CA LEU A 40 -7.675 -4.746 -2.019 1.00 0.00 C ATOM 610 C LEU A 40 -8.625 -4.457 -3.166 1.00 0.00 C ATOM 611 O LEU A 40 -9.624 -3.759 -3.000 1.00 0.00 O ATOM 612 CB LEU A 40 -6.310 -4.165 -2.370 1.00 0.00 C ATOM 613 CG LEU A 40 -6.057 -2.701 -1.968 1.00 0.00 C ATOM 614 CD1 LEU A 40 -4.693 -2.249 -2.467 1.00 0.00 C ATOM 615 CD2 LEU A 40 -7.144 -1.768 -2.482 1.00 0.00 C ATOM 0 H LEU A 40 -6.614 -6.550 -1.972 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.054 -4.298 -1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.546 -4.784 -1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.171 -4.251 -3.448 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.078 -2.653 -0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.525 -1.212 -2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.918 -2.879 -2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.657 -2.332 -3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.922 -0.746 -2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.182 -1.818 -3.570 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.107 -2.070 -2.071 1.00 0.00 H new ATOM 627 N ALA A 41 -8.293 -5.009 -4.325 1.00 0.00 N ATOM 628 CA ALA A 41 -9.093 -4.827 -5.522 1.00 0.00 C ATOM 629 C ALA A 41 -10.477 -5.419 -5.328 1.00 0.00 C ATOM 630 O ALA A 41 -11.470 -4.893 -5.831 1.00 0.00 O ATOM 631 CB ALA A 41 -8.400 -5.453 -6.722 1.00 0.00 C ATOM 0 H ALA A 41 -7.466 -5.591 -4.459 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.203 -3.759 -5.710 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.012 -5.308 -7.612 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.429 -4.980 -6.869 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.261 -6.520 -6.546 1.00 0.00 H new ATOM 637 N ALA A 42 -10.525 -6.519 -4.590 1.00 0.00 N ATOM 638 CA ALA A 42 -11.790 -7.197 -4.316 1.00 0.00 C ATOM 639 C ALA A 42 -12.710 -6.319 -3.474 1.00 0.00 C ATOM 640 O ALA A 42 -13.883 -6.147 -3.801 1.00 0.00 O ATOM 641 CB ALA A 42 -11.555 -8.530 -3.623 1.00 0.00 C ATOM 0 H ALA A 42 -9.708 -6.962 -4.170 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.276 -7.387 -5.273 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.513 -9.014 -3.431 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.947 -9.170 -4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.037 -8.363 -2.679 1.00 0.00 H new ATOM 647 N CYS A 43 -12.171 -5.746 -2.406 1.00 0.00 N ATOM 648 CA CYS A 43 -12.949 -4.863 -1.553 1.00 0.00 C ATOM 649 C CYS A 43 -13.216 -3.512 -2.206 1.00 0.00 C ATOM 650 O CYS A 43 -14.359 -3.069 -2.278 1.00 0.00 O ATOM 651 CB CYS A 43 -12.245 -4.663 -0.212 1.00 0.00 C ATOM 652 SG CYS A 43 -12.819 -5.746 1.105 1.00 0.00 S ATOM 0 H CYS A 43 -11.203 -5.877 -2.112 1.00 0.00 H new ATOM 0 HA CYS A 43 -13.913 -5.344 -1.391 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -11.175 -4.818 -0.352 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -12.379 -3.628 0.103 1.00 0.00 H new ATOM 0 HG CYS A 43 -14.052 -5.457 1.398 1.00 0.00 H new ATOM 658 N GLY A 44 -12.156 -2.834 -2.613 1.00 0.00 N ATOM 659 CA GLY A 44 -12.298 -1.509 -3.176 1.00 0.00 C ATOM 660 C GLY A 44 -12.220 -1.489 -4.686 1.00 0.00 C ATOM 661 O GLY A 44 -12.860 -2.287 -5.371 1.00 0.00 O ATOM 0 H GLY A 44 -11.197 -3.178 -2.563 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.254 -1.089 -2.863 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.519 -0.864 -2.770 1.00 0.00 H new ATOM 665 N GLU A 45 -11.430 -0.555 -5.186 1.00 0.00 N ATOM 666 CA GLU A 45 -11.228 -0.356 -6.609 1.00 0.00 C ATOM 667 C GLU A 45 -9.756 -0.108 -6.902 1.00 0.00 C ATOM 668 O GLU A 45 -8.882 -0.706 -6.271 1.00 0.00 O ATOM 669 CB GLU A 45 -12.089 0.795 -7.141 1.00 0.00 C ATOM 670 CG GLU A 45 -13.567 0.460 -7.255 1.00 0.00 C ATOM 671 CD GLU A 45 -13.833 -0.613 -8.292 1.00 0.00 C ATOM 672 OE1 GLU A 45 -13.497 -0.396 -9.477 1.00 0.00 O ATOM 673 OE2 GLU A 45 -14.384 -1.675 -7.940 1.00 0.00 O ATOM 0 H GLU A 45 -10.903 0.096 -4.605 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.540 -1.264 -7.125 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.972 1.657 -6.484 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.717 1.090 -8.122 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.938 0.126 -6.286 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.123 1.361 -7.516 1.00 0.00 H new ATOM 680 N ARG A 46 -9.496 0.650 -7.957 1.00 0.00 N ATOM 681 CA ARG A 46 -8.142 0.845 -8.455 1.00 0.00 C ATOM 682 C ARG A 46 -7.227 1.476 -7.419 1.00 0.00 C ATOM 683 O ARG A 46 -7.678 2.126 -6.471 1.00 0.00 O ATOM 684 CB ARG A 46 -8.151 1.625 -9.769 1.00 0.00 C ATOM 685 CG ARG A 46 -8.844 2.959 -9.678 1.00 0.00 C ATOM 686 CD ARG A 46 -8.030 3.968 -8.891 1.00 0.00 C ATOM 687 NE ARG A 46 -6.783 4.323 -9.573 1.00 0.00 N ATOM 688 CZ ARG A 46 -6.718 4.914 -10.768 1.00 0.00 C ATOM 689 NH1 ARG A 46 -7.821 5.341 -11.375 1.00 0.00 N ATOM 690 NH2 ARG A 46 -5.538 5.110 -11.341 1.00 0.00 N ATOM 0 H ARG A 46 -10.212 1.144 -8.489 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.726 -0.142 -8.659 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.123 1.781 -10.095 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.640 1.023 -10.535 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.025 3.343 -10.682 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.818 2.831 -9.205 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.624 4.868 -8.732 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.801 3.559 -7.907 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.905 4.104 -9.103 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.729 5.218 -10.928 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.759 5.791 -12.288 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.685 4.810 -10.869 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.483 5.561 -12.254 1.00 0.00 H new ATOM 704 N PHE A 47 -5.959 1.144 -7.532 1.00 0.00 N ATOM 705 CA PHE A 47 -4.980 1.512 -6.531 1.00 0.00 C ATOM 706 C PHE A 47 -3.583 1.502 -7.129 1.00 0.00 C ATOM 707 O PHE A 47 -3.313 0.783 -8.095 1.00 0.00 O ATOM 708 CB PHE A 47 -5.056 0.540 -5.345 1.00 0.00 C ATOM 709 CG PHE A 47 -4.667 -0.884 -5.660 1.00 0.00 C ATOM 710 CD1 PHE A 47 -3.332 -1.246 -5.800 1.00 0.00 C ATOM 711 CD2 PHE A 47 -5.636 -1.870 -5.756 1.00 0.00 C ATOM 712 CE1 PHE A 47 -2.979 -2.558 -6.046 1.00 0.00 C ATOM 713 CE2 PHE A 47 -5.285 -3.185 -5.996 1.00 0.00 C ATOM 714 CZ PHE A 47 -3.955 -3.527 -6.141 1.00 0.00 C ATOM 0 H PHE A 47 -5.579 0.614 -8.316 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.198 2.520 -6.179 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.409 0.910 -4.550 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.074 0.545 -4.956 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.563 -0.493 -5.715 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.677 -1.608 -5.642 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.939 -2.825 -6.164 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.050 -3.944 -6.070 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.679 -4.554 -6.329 1.00 0.00 H new ATOM 724 N ALA A 48 -2.689 2.245 -6.514 1.00 0.00 N ATOM 725 CA ALA A 48 -1.300 2.265 -6.925 1.00 0.00 C ATOM 726 C ALA A 48 -0.493 1.343 -6.035 1.00 0.00 C ATOM 727 O ALA A 48 -0.895 1.057 -4.911 1.00 0.00 O ATOM 728 CB ALA A 48 -0.736 3.673 -6.893 1.00 0.00 C ATOM 0 H ALA A 48 -2.901 2.849 -5.720 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.238 1.913 -7.955 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.308 3.654 -7.207 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.307 4.309 -7.570 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.803 4.069 -5.880 1.00 0.00 H new ATOM 734 N TYR A 49 0.597 0.818 -6.556 1.00 0.00 N ATOM 735 CA TYR A 49 1.393 -0.141 -5.821 1.00 0.00 C ATOM 736 C TYR A 49 2.874 0.190 -6.033 1.00 0.00 C ATOM 737 O TYR A 49 3.246 0.741 -7.072 1.00 0.00 O ATOM 738 CB TYR A 49 1.084 -1.569 -6.305 1.00 0.00 C ATOM 739 CG TYR A 49 1.893 -2.001 -7.497 1.00 0.00 C ATOM 740 CD1 TYR A 49 3.188 -2.459 -7.318 1.00 0.00 C ATOM 741 CD2 TYR A 49 1.394 -1.917 -8.786 1.00 0.00 C ATOM 742 CE1 TYR A 49 3.970 -2.824 -8.383 1.00 0.00 C ATOM 743 CE2 TYR A 49 2.168 -2.292 -9.868 1.00 0.00 C ATOM 744 CZ TYR A 49 3.458 -2.743 -9.661 1.00 0.00 C ATOM 745 OH TYR A 49 4.241 -3.095 -10.735 1.00 0.00 O ATOM 0 H TYR A 49 0.951 1.040 -7.486 1.00 0.00 H new ATOM 0 HA TYR A 49 1.155 -0.087 -4.759 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.263 -2.266 -5.486 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.025 -1.636 -6.554 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.590 -2.530 -6.318 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.390 -1.555 -8.948 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.980 -3.172 -8.222 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.767 -2.233 -10.869 1.00 0.00 H new ATOM 0 HH TYR A 49 3.730 -2.982 -11.563 1.00 0.00 H new ATOM 755 N VAL A 50 3.712 -0.163 -5.074 1.00 0.00 N ATOM 756 CA VAL A 50 5.139 0.071 -5.190 1.00 0.00 C ATOM 757 C VAL A 50 5.908 -1.203 -4.883 1.00 0.00 C ATOM 758 O VAL A 50 5.709 -1.824 -3.838 1.00 0.00 O ATOM 759 CB VAL A 50 5.615 1.180 -4.222 1.00 0.00 C ATOM 760 CG1 VAL A 50 7.104 1.445 -4.385 1.00 0.00 C ATOM 761 CG2 VAL A 50 4.816 2.455 -4.431 1.00 0.00 C ATOM 0 H VAL A 50 3.427 -0.614 -4.205 1.00 0.00 H new ATOM 0 HA VAL A 50 5.331 0.390 -6.214 1.00 0.00 H new ATOM 0 HB VAL A 50 5.445 0.833 -3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.412 2.229 -3.693 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.661 0.533 -4.172 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.307 1.764 -5.407 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.167 3.222 -3.740 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.947 2.803 -5.456 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.760 2.257 -4.247 1.00 0.00 H new ATOM 771 N ASP A 51 6.838 -1.539 -5.761 1.00 0.00 N ATOM 772 CA ASP A 51 7.714 -2.676 -5.554 1.00 0.00 C ATOM 773 C ASP A 51 8.798 -2.339 -4.537 1.00 0.00 C ATOM 774 O ASP A 51 9.438 -1.294 -4.619 1.00 0.00 O ATOM 775 CB ASP A 51 8.327 -3.138 -6.886 1.00 0.00 C ATOM 776 CG ASP A 51 9.016 -2.026 -7.664 1.00 0.00 C ATOM 777 OD1 ASP A 51 8.356 -1.016 -7.982 1.00 0.00 O ATOM 778 OD2 ASP A 51 10.207 -2.178 -8.003 1.00 0.00 O ATOM 0 H ASP A 51 7.005 -1.034 -6.631 1.00 0.00 H new ATOM 0 HA ASP A 51 7.123 -3.500 -5.154 1.00 0.00 H new ATOM 0 HB2 ASP A 51 9.048 -3.931 -6.688 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.542 -3.570 -7.506 1.00 0.00 H new ATOM 783 N ILE A 52 8.934 -3.192 -3.527 1.00 0.00 N ATOM 784 CA ILE A 52 9.860 -2.939 -2.424 1.00 0.00 C ATOM 785 C ILE A 52 10.511 -4.206 -1.873 1.00 0.00 C ATOM 786 O ILE A 52 11.694 -4.179 -1.567 1.00 0.00 O ATOM 787 CB ILE A 52 9.211 -2.136 -1.272 1.00 0.00 C ATOM 788 CG1 ILE A 52 7.715 -2.398 -1.186 1.00 0.00 C ATOM 789 CG2 ILE A 52 9.485 -0.656 -1.411 1.00 0.00 C ATOM 790 CD1 ILE A 52 7.353 -3.780 -0.726 1.00 0.00 C ATOM 0 H ILE A 52 8.415 -4.066 -3.448 1.00 0.00 H new ATOM 0 HA ILE A 52 10.649 -2.330 -2.866 1.00 0.00 H new ATOM 0 HB ILE A 52 9.667 -2.479 -0.343 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.270 -1.673 -0.504 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.272 -2.227 -2.167 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.015 -0.120 -0.586 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.561 -0.482 -1.391 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.077 -0.298 -2.356 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.268 -3.880 -0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.765 -4.514 -1.419 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.763 -3.951 0.269 1.00 0.00 H new ATOM 802 N LEU A 53 9.775 -5.321 -1.766 1.00 0.00 N ATOM 803 CA LEU A 53 10.390 -6.562 -1.262 1.00 0.00 C ATOM 804 C LEU A 53 11.542 -7.001 -2.162 1.00 0.00 C ATOM 805 O LEU A 53 12.368 -7.817 -1.768 1.00 0.00 O ATOM 806 CB LEU A 53 9.402 -7.741 -1.076 1.00 0.00 C ATOM 807 CG LEU A 53 8.318 -7.571 -0.011 1.00 0.00 C ATOM 808 CD1 LEU A 53 8.824 -6.710 1.123 1.00 0.00 C ATOM 809 CD2 LEU A 53 7.028 -7.027 -0.595 1.00 0.00 C ATOM 0 H LEU A 53 8.788 -5.393 -2.011 1.00 0.00 H new ATOM 0 HA LEU A 53 10.758 -6.309 -0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.913 -7.928 -2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.979 -8.633 -0.834 1.00 0.00 H new ATOM 0 HG LEU A 53 8.084 -8.558 0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.041 -6.599 1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.696 -7.181 1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.101 -5.728 0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.286 -6.922 0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.216 -6.053 -1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.654 -7.714 -1.354 1.00 0.00 H new ATOM 821 N GLN A 54 11.576 -6.472 -3.377 1.00 0.00 N ATOM 822 CA GLN A 54 12.600 -6.829 -4.328 1.00 0.00 C ATOM 823 C GLN A 54 13.786 -5.836 -4.326 1.00 0.00 C ATOM 824 O GLN A 54 14.938 -6.262 -4.406 1.00 0.00 O ATOM 825 CB GLN A 54 11.981 -7.049 -5.705 1.00 0.00 C ATOM 826 CG GLN A 54 11.042 -5.975 -6.155 1.00 0.00 C ATOM 827 CD GLN A 54 11.728 -4.674 -6.470 1.00 0.00 C ATOM 828 OE1 GLN A 54 11.311 -3.618 -5.804 1.00 0.00 O flip ATOM 829 NE2 GLN A 54 12.625 -4.621 -7.306 1.00 0.00 N flip ATOM 0 H GLN A 54 10.899 -5.791 -3.721 1.00 0.00 H new ATOM 0 HA GLN A 54 13.043 -7.776 -4.021 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.783 -7.139 -6.437 1.00 0.00 H new ATOM 0 HB3 GLN A 54 11.447 -7.999 -5.699 1.00 0.00 H new ATOM 0 HG2 GLN A 54 10.507 -6.318 -7.040 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.297 -5.805 -5.378 1.00 0.00 H new ATOM 0 HE21 GLN A 54 12.915 -5.467 -7.797 1.00 0.00 H new ATOM 0 HE22 GLN A 54 13.081 -3.731 -7.509 1.00 0.00 H new ATOM 838 N ASN A 55 13.517 -4.543 -4.085 1.00 0.00 N ATOM 839 CA ASN A 55 14.595 -3.551 -3.900 1.00 0.00 C ATOM 840 C ASN A 55 15.243 -3.710 -2.535 1.00 0.00 C ATOM 841 O ASN A 55 14.554 -3.770 -1.522 1.00 0.00 O ATOM 842 CB ASN A 55 14.096 -2.099 -4.037 1.00 0.00 C ATOM 843 CG ASN A 55 13.700 -1.713 -5.450 1.00 0.00 C ATOM 844 OD1 ASN A 55 12.525 -1.119 -5.597 1.00 0.00 O flip ATOM 845 ND2 ASN A 55 14.465 -1.898 -6.393 1.00 0.00 N flip ATOM 0 H ASN A 55 12.574 -4.160 -4.014 1.00 0.00 H new ATOM 0 HA ASN A 55 15.320 -3.742 -4.691 1.00 0.00 H new ATOM 0 HB2 ASN A 55 13.239 -1.957 -3.379 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.878 -1.423 -3.692 1.00 0.00 H new ATOM 0 HD21 ASN A 55 15.362 -2.359 -6.239 1.00 0.00 H new ATOM 0 HD22 ASN A 55 14.204 -1.590 -7.330 1.00 0.00 H new ATOM 852 N PRO A 56 16.579 -3.757 -2.487 1.00 0.00 N ATOM 853 CA PRO A 56 17.316 -3.888 -1.229 1.00 0.00 C ATOM 854 C PRO A 56 17.198 -2.649 -0.336 1.00 0.00 C ATOM 855 O PRO A 56 17.108 -2.763 0.887 1.00 0.00 O ATOM 856 CB PRO A 56 18.766 -4.095 -1.682 1.00 0.00 C ATOM 857 CG PRO A 56 18.839 -3.492 -3.042 1.00 0.00 C ATOM 858 CD PRO A 56 17.477 -3.668 -3.655 1.00 0.00 C ATOM 0 HA PRO A 56 16.926 -4.703 -0.619 1.00 0.00 H new ATOM 0 HB2 PRO A 56 19.465 -3.612 -0.999 1.00 0.00 H new ATOM 0 HB3 PRO A 56 19.024 -5.154 -1.706 1.00 0.00 H new ATOM 0 HG2 PRO A 56 19.107 -2.437 -2.986 1.00 0.00 H new ATOM 0 HG3 PRO A 56 19.603 -3.983 -3.645 1.00 0.00 H new ATOM 0 HD2 PRO A 56 17.216 -2.828 -4.299 1.00 0.00 H new ATOM 0 HD3 PRO A 56 17.427 -4.567 -4.269 1.00 0.00 H new ATOM 866 N ASP A 57 17.327 -1.471 -0.938 1.00 0.00 N ATOM 867 CA ASP A 57 17.371 -0.217 -0.172 1.00 0.00 C ATOM 868 C ASP A 57 15.997 0.211 0.317 1.00 0.00 C ATOM 869 O ASP A 57 15.802 0.478 1.503 1.00 0.00 O ATOM 870 CB ASP A 57 17.967 0.919 -1.009 1.00 0.00 C ATOM 871 CG ASP A 57 19.421 0.707 -1.359 1.00 0.00 C ATOM 872 OD1 ASP A 57 19.735 -0.283 -2.049 1.00 0.00 O ATOM 873 OD2 ASP A 57 20.258 1.534 -0.940 1.00 0.00 O ATOM 0 H ASP A 57 17.403 -1.352 -1.948 1.00 0.00 H new ATOM 0 HA ASP A 57 18.003 -0.415 0.694 1.00 0.00 H new ATOM 0 HB2 ASP A 57 17.391 1.024 -1.929 1.00 0.00 H new ATOM 0 HB3 ASP A 57 17.866 1.856 -0.461 1.00 0.00 H new ATOM 878 N ILE A 58 15.084 0.387 -0.626 1.00 0.00 N ATOM 879 CA ILE A 58 13.760 0.922 -0.333 1.00 0.00 C ATOM 880 C ILE A 58 13.026 0.029 0.665 1.00 0.00 C ATOM 881 O ILE A 58 12.305 0.506 1.530 1.00 0.00 O ATOM 882 CB ILE A 58 12.929 1.078 -1.625 1.00 0.00 C ATOM 883 CG1 ILE A 58 13.739 1.837 -2.681 1.00 0.00 C ATOM 884 CG2 ILE A 58 11.639 1.831 -1.332 1.00 0.00 C ATOM 885 CD1 ILE A 58 13.020 2.004 -4.004 1.00 0.00 C ATOM 0 H ILE A 58 15.237 0.165 -1.610 1.00 0.00 H new ATOM 0 HA ILE A 58 13.888 1.908 0.113 1.00 0.00 H new ATOM 0 HB ILE A 58 12.684 0.086 -2.004 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.994 2.822 -2.290 1.00 0.00 H new ATOM 0 HG13 ILE A 58 14.677 1.310 -2.853 1.00 0.00 H new ATOM 0 HG21 ILE A 58 11.062 1.935 -2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.054 1.279 -0.596 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.876 2.820 -0.939 1.00 0.00 H new ATOM 0 HD11 ILE A 58 13.658 2.551 -4.698 1.00 0.00 H new ATOM 0 HD12 ILE A 58 12.789 1.023 -4.419 1.00 0.00 H new ATOM 0 HD13 ILE A 58 12.095 2.559 -3.848 1.00 0.00 H new ATOM 897 N ARG A 59 13.255 -1.271 0.551 1.00 0.00 N ATOM 898 CA ARG A 59 12.660 -2.261 1.444 1.00 0.00 C ATOM 899 C ARG A 59 12.972 -1.966 2.916 1.00 0.00 C ATOM 900 O ARG A 59 12.292 -2.465 3.807 1.00 0.00 O ATOM 901 CB ARG A 59 13.179 -3.650 1.070 1.00 0.00 C ATOM 902 CG ARG A 59 12.541 -4.799 1.829 1.00 0.00 C ATOM 903 CD ARG A 59 13.090 -6.133 1.349 1.00 0.00 C ATOM 904 NE ARG A 59 12.461 -7.269 2.023 1.00 0.00 N ATOM 905 CZ ARG A 59 12.736 -8.540 1.744 1.00 0.00 C ATOM 906 NH1 ARG A 59 13.639 -8.846 0.817 1.00 0.00 N ATOM 907 NH2 ARG A 59 12.106 -9.509 2.394 1.00 0.00 N ATOM 0 H ARG A 59 13.860 -1.673 -0.165 1.00 0.00 H new ATOM 0 HA ARG A 59 11.577 -2.218 1.326 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.019 -3.806 0.003 1.00 0.00 H new ATOM 0 HB3 ARG A 59 14.256 -3.677 1.238 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.730 -4.685 2.896 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.460 -4.775 1.693 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.935 -6.221 0.274 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.166 -6.163 1.520 1.00 0.00 H new ATOM 0 HE ARG A 59 11.771 -7.075 2.749 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.126 -8.104 0.315 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.845 -9.823 0.608 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.413 -9.279 3.106 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.315 -10.485 2.182 1.00 0.00 H new ATOM 921 N ALA A 60 14.101 -1.314 3.165 1.00 0.00 N ATOM 922 CA ALA A 60 14.593 -1.144 4.525 1.00 0.00 C ATOM 923 C ALA A 60 14.074 0.116 5.230 1.00 0.00 C ATOM 924 O ALA A 60 13.914 0.099 6.441 1.00 0.00 O ATOM 925 CB ALA A 60 16.114 -1.145 4.524 1.00 0.00 C ATOM 0 H ALA A 60 14.691 -0.896 2.445 1.00 0.00 H new ATOM 0 HA ALA A 60 14.205 -1.988 5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 60 16.479 -1.018 5.543 1.00 0.00 H new ATOM 0 HB2 ALA A 60 16.477 -2.092 4.125 1.00 0.00 H new ATOM 0 HB3 ALA A 60 16.478 -0.326 3.903 1.00 0.00 H new ATOM 931 N GLU A 61 14.148 1.255 4.550 1.00 0.00 N ATOM 932 CA GLU A 61 14.051 2.547 5.246 1.00 0.00 C ATOM 933 C GLU A 61 12.629 2.984 5.622 1.00 0.00 C ATOM 934 O GLU A 61 12.366 3.274 6.789 1.00 0.00 O ATOM 935 CB GLU A 61 14.710 3.647 4.417 1.00 0.00 C ATOM 936 CG GLU A 61 16.185 3.388 4.146 1.00 0.00 C ATOM 937 CD GLU A 61 16.862 4.537 3.430 1.00 0.00 C ATOM 938 OE1 GLU A 61 16.446 4.870 2.305 1.00 0.00 O ATOM 939 OE2 GLU A 61 17.818 5.112 3.999 1.00 0.00 O ATOM 0 H GLU A 61 14.272 1.319 3.540 1.00 0.00 H new ATOM 0 HA GLU A 61 14.576 2.392 6.189 1.00 0.00 H new ATOM 0 HB2 GLU A 61 14.184 3.743 3.467 1.00 0.00 H new ATOM 0 HB3 GLU A 61 14.604 4.599 4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 61 16.696 3.203 5.091 1.00 0.00 H new ATOM 0 HG3 GLU A 61 16.286 2.483 3.547 1.00 0.00 H new ATOM 946 N LEU A 62 11.744 3.147 4.641 1.00 0.00 N ATOM 947 CA LEU A 62 10.410 3.689 4.934 1.00 0.00 C ATOM 948 C LEU A 62 9.536 2.751 5.780 1.00 0.00 C ATOM 949 O LEU A 62 8.746 3.233 6.583 1.00 0.00 O ATOM 950 CB LEU A 62 9.620 4.099 3.686 1.00 0.00 C ATOM 951 CG LEU A 62 9.200 2.959 2.768 1.00 0.00 C ATOM 952 CD1 LEU A 62 7.979 3.345 1.960 1.00 0.00 C ATOM 953 CD2 LEU A 62 10.332 2.609 1.839 1.00 0.00 C ATOM 0 H LEU A 62 11.914 2.920 3.661 1.00 0.00 H new ATOM 0 HA LEU A 62 10.632 4.584 5.516 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.725 4.634 4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.223 4.801 3.111 1.00 0.00 H new ATOM 0 HG LEU A 62 8.952 2.094 3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.696 2.517 1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.154 3.576 2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.207 4.221 1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.026 1.793 1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.591 3.480 1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.199 2.301 2.423 1.00 0.00 H new ATOM 965 N PRO A 63 9.619 1.413 5.631 1.00 0.00 N ATOM 966 CA PRO A 63 8.785 0.506 6.417 1.00 0.00 C ATOM 967 C PRO A 63 8.972 0.746 7.903 1.00 0.00 C ATOM 968 O PRO A 63 8.006 0.748 8.673 1.00 0.00 O ATOM 969 CB PRO A 63 9.284 -0.884 6.029 1.00 0.00 C ATOM 970 CG PRO A 63 10.614 -0.650 5.417 1.00 0.00 C ATOM 971 CD PRO A 63 10.494 0.661 4.721 1.00 0.00 C ATOM 0 HA PRO A 63 7.721 0.643 6.221 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.358 -1.535 6.900 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.604 -1.367 5.327 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.398 -0.624 6.174 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.872 -1.446 4.718 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.462 1.145 4.594 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.057 0.557 3.728 1.00 0.00 H new ATOM 979 N LYS A 64 10.220 1.023 8.277 1.00 0.00 N ATOM 980 CA LYS A 64 10.562 1.350 9.651 1.00 0.00 C ATOM 981 C LYS A 64 9.714 2.516 10.118 1.00 0.00 C ATOM 982 O LYS A 64 9.225 2.536 11.247 1.00 0.00 O ATOM 983 CB LYS A 64 12.028 1.752 9.768 1.00 0.00 C ATOM 984 CG LYS A 64 12.994 0.794 9.100 1.00 0.00 C ATOM 985 CD LYS A 64 14.432 1.177 9.397 1.00 0.00 C ATOM 986 CE LYS A 64 14.752 2.573 8.888 1.00 0.00 C ATOM 987 NZ LYS A 64 16.165 2.951 9.142 1.00 0.00 N ATOM 0 H LYS A 64 11.014 1.026 7.637 1.00 0.00 H new ATOM 0 HA LYS A 64 10.380 0.467 10.264 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.157 2.742 9.331 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.287 1.833 10.824 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.805 -0.221 9.449 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.828 0.797 8.023 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.607 1.131 10.472 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.105 0.456 8.933 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.551 2.623 7.818 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.092 3.294 9.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.339 3.910 8.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.352 2.929 10.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.796 2.279 8.661 1.00 0.00 H new ATOM 1001 N TYR A 65 9.561 3.493 9.229 1.00 0.00 N ATOM 1002 CA TYR A 65 8.789 4.680 9.527 1.00 0.00 C ATOM 1003 C TYR A 65 7.317 4.324 9.669 1.00 0.00 C ATOM 1004 O TYR A 65 6.612 4.932 10.476 1.00 0.00 O ATOM 1005 CB TYR A 65 9.032 5.797 8.464 1.00 0.00 C ATOM 1006 CG TYR A 65 7.906 6.093 7.462 1.00 0.00 C ATOM 1007 CD1 TYR A 65 6.641 6.491 7.890 1.00 0.00 C ATOM 1008 CD2 TYR A 65 8.120 5.997 6.085 1.00 0.00 C ATOM 1009 CE1 TYR A 65 5.639 6.784 6.992 1.00 0.00 C ATOM 1010 CE2 TYR A 65 7.108 6.284 5.182 1.00 0.00 C ATOM 1011 CZ TYR A 65 5.876 6.677 5.646 1.00 0.00 C ATOM 1012 OH TYR A 65 4.882 6.992 4.754 1.00 0.00 O ATOM 0 H TYR A 65 9.967 3.479 8.293 1.00 0.00 H new ATOM 0 HA TYR A 65 9.124 5.087 10.481 1.00 0.00 H new ATOM 0 HB2 TYR A 65 9.258 6.721 8.996 1.00 0.00 H new ATOM 0 HB3 TYR A 65 9.923 5.530 7.896 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.442 6.571 8.949 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.090 5.694 5.718 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.668 7.097 7.347 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.287 6.199 4.120 1.00 0.00 H new ATOM 0 HH TYR A 65 4.120 6.391 4.888 1.00 0.00 H new ATOM 1022 N ALA A 66 6.811 3.410 8.828 1.00 0.00 N ATOM 1023 CA ALA A 66 5.396 3.125 8.859 1.00 0.00 C ATOM 1024 C ALA A 66 5.009 2.421 10.140 1.00 0.00 C ATOM 1025 O ALA A 66 4.212 2.942 10.923 1.00 0.00 O ATOM 1026 CB ALA A 66 5.043 2.250 7.680 1.00 0.00 C ATOM 0 H ALA A 66 7.351 2.879 8.145 1.00 0.00 H new ATOM 0 HA ALA A 66 4.851 4.067 8.809 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.975 2.030 7.697 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.292 2.769 6.754 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.606 1.318 7.737 1.00 0.00 H new ATOM 1032 N ASN A 67 5.696 1.328 10.428 1.00 0.00 N ATOM 1033 CA ASN A 67 5.547 0.658 11.704 1.00 0.00 C ATOM 1034 C ASN A 67 6.585 -0.443 11.827 1.00 0.00 C ATOM 1035 O ASN A 67 7.094 -0.718 12.913 1.00 0.00 O ATOM 1036 CB ASN A 67 4.131 0.087 11.854 1.00 0.00 C ATOM 1037 CG ASN A 67 3.839 -0.462 13.237 1.00 0.00 C ATOM 1038 OD1 ASN A 67 4.489 -1.394 13.711 1.00 0.00 O ATOM 1039 ND2 ASN A 67 2.844 0.114 13.891 1.00 0.00 N ATOM 0 H ASN A 67 6.362 0.888 9.793 1.00 0.00 H new ATOM 0 HA ASN A 67 5.703 1.382 12.504 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.407 0.868 11.623 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.989 -0.706 11.120 1.00 0.00 H new ATOM 0 HD21 ASN A 67 2.591 -0.212 14.824 1.00 0.00 H new ATOM 0 HD22 ASN A 67 2.330 0.884 13.463 1.00 0.00 H new ATOM 1046 N TRP A 68 6.702 -1.225 10.753 1.00 0.00 N ATOM 1047 CA TRP A 68 7.442 -2.467 10.820 1.00 0.00 C ATOM 1048 C TRP A 68 8.527 -2.594 9.754 1.00 0.00 C ATOM 1049 O TRP A 68 8.478 -1.926 8.736 1.00 0.00 O ATOM 1050 CB TRP A 68 6.497 -3.640 10.834 1.00 0.00 C ATOM 1051 CG TRP A 68 5.729 -3.918 9.608 1.00 0.00 C ATOM 1052 CD1 TRP A 68 6.038 -4.815 8.659 1.00 0.00 C ATOM 1053 CD2 TRP A 68 4.522 -3.307 9.226 1.00 0.00 C ATOM 1054 NE1 TRP A 68 5.024 -4.873 7.723 1.00 0.00 N ATOM 1055 CE2 TRP A 68 4.085 -3.934 8.052 1.00 0.00 C ATOM 1056 CE3 TRP A 68 3.765 -2.304 9.787 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 2.889 -3.584 7.435 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 2.592 -1.946 9.176 1.00 0.00 C ATOM 1059 CH2 TRP A 68 2.158 -2.590 8.017 1.00 0.00 C ATOM 0 H TRP A 68 6.296 -1.016 9.841 1.00 0.00 H new ATOM 0 HA TRP A 68 7.990 -2.462 11.762 1.00 0.00 H new ATOM 0 HB2 TRP A 68 7.074 -4.532 11.077 1.00 0.00 H new ATOM 0 HB3 TRP A 68 5.787 -3.488 11.647 1.00 0.00 H new ATOM 0 HD1 TRP A 68 6.943 -5.403 8.631 1.00 0.00 H new ATOM 0 HE1 TRP A 68 4.982 -5.506 6.925 1.00 0.00 H new ATOM 0 HE3 TRP A 68 4.089 -1.809 10.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 2.554 -4.077 6.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 1.994 -1.152 9.598 1.00 0.00 H new ATOM 0 HH2 TRP A 68 1.220 -2.294 7.570 1.00 0.00 H new ATOM 1070 N PRO A 69 9.611 -3.322 10.099 1.00 0.00 N ATOM 1071 CA PRO A 69 10.859 -3.409 9.322 1.00 0.00 C ATOM 1072 C PRO A 69 10.727 -3.482 7.799 1.00 0.00 C ATOM 1073 O PRO A 69 11.583 -2.943 7.100 1.00 0.00 O ATOM 1074 CB PRO A 69 11.472 -4.696 9.857 1.00 0.00 C ATOM 1075 CG PRO A 69 11.102 -4.705 11.299 1.00 0.00 C ATOM 1076 CD PRO A 69 9.781 -3.980 11.413 1.00 0.00 C ATOM 0 HA PRO A 69 11.441 -2.496 9.449 1.00 0.00 H new ATOM 0 HB2 PRO A 69 11.078 -5.570 9.339 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.554 -4.708 9.723 1.00 0.00 H new ATOM 0 HG2 PRO A 69 11.016 -5.726 11.670 1.00 0.00 H new ATOM 0 HG3 PRO A 69 11.867 -4.211 11.898 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.964 -4.671 11.620 1.00 0.00 H new ATOM 0 HD3 PRO A 69 9.796 -3.252 12.224 1.00 0.00 H new ATOM 1084 N THR A 70 9.729 -4.178 7.268 1.00 0.00 N ATOM 1085 CA THR A 70 9.615 -4.315 5.823 1.00 0.00 C ATOM 1086 C THR A 70 8.163 -4.233 5.354 1.00 0.00 C ATOM 1087 O THR A 70 7.428 -3.326 5.734 1.00 0.00 O ATOM 1088 CB THR A 70 10.259 -5.630 5.331 1.00 0.00 C ATOM 1089 OG1 THR A 70 9.732 -6.745 6.057 1.00 0.00 O ATOM 1090 CG2 THR A 70 11.772 -5.596 5.475 1.00 0.00 C ATOM 0 H THR A 70 9.000 -4.648 7.805 1.00 0.00 H new ATOM 0 HA THR A 70 10.157 -3.477 5.386 1.00 0.00 H new ATOM 0 HB THR A 70 10.018 -5.739 4.274 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.147 -7.572 5.734 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.193 -6.537 5.120 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.175 -4.773 4.885 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.035 -5.454 6.523 1.00 0.00 H new ATOM 1098 N PHE A 71 7.799 -5.108 4.432 1.00 0.00 N ATOM 1099 CA PHE A 71 6.493 -5.052 3.788 1.00 0.00 C ATOM 1100 C PHE A 71 5.969 -6.487 3.615 1.00 0.00 C ATOM 1101 O PHE A 71 6.599 -7.414 4.123 1.00 0.00 O ATOM 1102 CB PHE A 71 6.623 -4.352 2.417 1.00 0.00 C ATOM 1103 CG PHE A 71 7.278 -2.992 2.444 1.00 0.00 C ATOM 1104 CD1 PHE A 71 8.658 -2.874 2.479 1.00 0.00 C ATOM 1105 CD2 PHE A 71 6.516 -1.836 2.442 1.00 0.00 C ATOM 1106 CE1 PHE A 71 9.259 -1.634 2.505 1.00 0.00 C ATOM 1107 CE2 PHE A 71 7.118 -0.591 2.473 1.00 0.00 C ATOM 1108 CZ PHE A 71 8.487 -0.493 2.504 1.00 0.00 C ATOM 0 H PHE A 71 8.393 -5.872 4.109 1.00 0.00 H new ATOM 0 HA PHE A 71 5.792 -4.484 4.400 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.194 -4.998 1.751 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.628 -4.249 1.985 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.270 -3.764 2.486 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.439 -1.907 2.416 1.00 0.00 H new ATOM 0 HE1 PHE A 71 10.336 -1.557 2.526 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.512 0.303 2.473 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.959 0.478 2.528 1.00 0.00 H new ATOM 1118 N PRO A 72 4.857 -6.739 2.874 1.00 0.00 N ATOM 1119 CA PRO A 72 4.019 -5.721 2.206 1.00 0.00 C ATOM 1120 C PRO A 72 3.324 -4.772 3.178 1.00 0.00 C ATOM 1121 O PRO A 72 2.913 -5.173 4.270 1.00 0.00 O ATOM 1122 CB PRO A 72 2.980 -6.542 1.435 1.00 0.00 C ATOM 1123 CG PRO A 72 2.929 -7.853 2.135 1.00 0.00 C ATOM 1124 CD PRO A 72 4.310 -8.096 2.676 1.00 0.00 C ATOM 0 HA PRO A 72 4.628 -5.073 1.576 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.006 -6.053 1.442 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.268 -6.663 0.391 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.194 -7.836 2.939 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.634 -8.648 1.450 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.280 -8.655 3.611 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.917 -8.674 1.978 1.00 0.00 H new ATOM 1132 N GLN A 73 3.118 -3.534 2.738 1.00 0.00 N ATOM 1133 CA GLN A 73 2.380 -2.559 3.527 1.00 0.00 C ATOM 1134 C GLN A 73 1.362 -1.850 2.647 1.00 0.00 C ATOM 1135 O GLN A 73 1.700 -1.327 1.586 1.00 0.00 O ATOM 1136 CB GLN A 73 3.295 -1.501 4.144 1.00 0.00 C ATOM 1137 CG GLN A 73 4.467 -2.054 4.933 1.00 0.00 C ATOM 1138 CD GLN A 73 5.263 -0.959 5.625 1.00 0.00 C ATOM 1139 OE1 GLN A 73 5.660 0.024 5.003 1.00 0.00 O ATOM 1140 NE2 GLN A 73 5.530 -1.135 6.907 1.00 0.00 N ATOM 0 H GLN A 73 3.452 -3.185 1.840 1.00 0.00 H new ATOM 0 HA GLN A 73 1.890 -3.107 4.332 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.680 -0.865 3.347 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.701 -0.866 4.801 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.100 -2.760 5.678 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.123 -2.610 4.263 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.184 -1.963 7.391 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.082 -0.442 7.413 1.00 0.00 H new ATOM 1149 N LEU A 74 0.137 -1.791 3.123 1.00 0.00 N ATOM 1150 CA LEU A 74 -0.932 -1.088 2.433 1.00 0.00 C ATOM 1151 C LEU A 74 -1.004 0.342 2.946 1.00 0.00 C ATOM 1152 O LEU A 74 -0.928 0.569 4.157 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.255 -1.839 2.651 1.00 0.00 C ATOM 1154 CG LEU A 74 -3.497 -1.340 1.884 1.00 0.00 C ATOM 1155 CD1 LEU A 74 -4.007 -0.012 2.418 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -3.181 -1.218 0.404 1.00 0.00 C ATOM 0 H LEU A 74 -0.150 -2.228 3.999 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.738 -1.052 1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.095 -2.884 2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.485 -1.811 3.716 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.287 -2.076 2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.882 0.298 1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.280 -0.122 3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.226 0.742 2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.064 -0.865 -0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.365 -0.509 0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.887 -2.192 0.013 1.00 0.00 H new ATOM 1168 N TRP A 75 -1.179 1.292 2.040 1.00 0.00 N ATOM 1169 CA TRP A 75 -1.299 2.686 2.416 1.00 0.00 C ATOM 1170 C TRP A 75 -2.577 3.297 1.870 1.00 0.00 C ATOM 1171 O TRP A 75 -2.869 3.227 0.674 1.00 0.00 O ATOM 1172 CB TRP A 75 -0.098 3.488 1.930 1.00 0.00 C ATOM 1173 CG TRP A 75 1.178 3.069 2.572 1.00 0.00 C ATOM 1174 CD1 TRP A 75 1.932 1.964 2.298 1.00 0.00 C ATOM 1175 CD2 TRP A 75 1.807 3.729 3.657 1.00 0.00 C ATOM 1176 NE1 TRP A 75 3.019 1.926 3.136 1.00 0.00 N ATOM 1177 CE2 TRP A 75 2.956 3.000 3.985 1.00 0.00 C ATOM 1178 CE3 TRP A 75 1.509 4.881 4.377 1.00 0.00 C ATOM 1179 CZ2 TRP A 75 3.803 3.391 5.011 1.00 0.00 C ATOM 1180 CZ3 TRP A 75 2.352 5.265 5.392 1.00 0.00 C ATOM 1181 CH2 TRP A 75 3.485 4.520 5.702 1.00 0.00 C ATOM 0 H TRP A 75 -1.241 1.119 1.037 1.00 0.00 H new ATOM 0 HA TRP A 75 -1.333 2.725 3.505 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -0.008 3.378 0.849 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -0.269 4.546 2.130 1.00 0.00 H new ATOM 0 HD1 TRP A 75 1.707 1.231 1.537 1.00 0.00 H new ATOM 0 HE1 TRP A 75 3.752 1.216 3.128 1.00 0.00 H new ATOM 0 HE3 TRP A 75 0.630 5.464 4.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 4.686 2.819 5.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 2.132 6.158 5.957 1.00 0.00 H new ATOM 0 HH2 TRP A 75 4.126 4.844 6.508 1.00 0.00 H new ATOM 1192 N VAL A 76 -3.307 3.937 2.756 1.00 0.00 N ATOM 1193 CA VAL A 76 -4.533 4.621 2.400 1.00 0.00 C ATOM 1194 C VAL A 76 -4.360 6.119 2.648 1.00 0.00 C ATOM 1195 O VAL A 76 -4.099 6.516 3.781 1.00 0.00 O ATOM 1196 CB VAL A 76 -5.709 4.093 3.259 1.00 0.00 C ATOM 1197 CG1 VAL A 76 -6.989 4.833 2.956 1.00 0.00 C ATOM 1198 CG2 VAL A 76 -5.910 2.604 3.051 1.00 0.00 C ATOM 0 H VAL A 76 -3.068 3.999 3.746 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.752 4.438 1.348 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.450 4.269 4.303 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.793 4.437 3.576 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.855 5.894 3.169 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.244 4.703 1.904 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.742 2.260 3.666 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.130 2.410 2.001 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.003 2.071 3.336 1.00 0.00 H new ATOM 1208 N ASP A 77 -4.501 6.941 1.600 1.00 0.00 N ATOM 1209 CA ASP A 77 -4.357 8.406 1.724 1.00 0.00 C ATOM 1210 C ASP A 77 -2.975 8.728 2.303 1.00 0.00 C ATOM 1211 O ASP A 77 -2.767 9.678 3.048 1.00 0.00 O ATOM 1212 CB ASP A 77 -5.469 8.924 2.633 1.00 0.00 C ATOM 1213 CG ASP A 77 -5.657 10.441 2.675 1.00 0.00 C ATOM 1214 OD1 ASP A 77 -4.758 11.176 3.133 1.00 0.00 O ATOM 1215 OD2 ASP A 77 -6.745 10.907 2.270 1.00 0.00 O ATOM 0 H ASP A 77 -4.715 6.621 0.655 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.440 8.890 0.751 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.409 8.471 2.316 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.273 8.575 3.647 1.00 0.00 H new ATOM 1220 N GLY A 78 -2.044 7.879 1.961 1.00 0.00 N ATOM 1221 CA GLY A 78 -0.684 8.009 2.442 1.00 0.00 C ATOM 1222 C GLY A 78 -0.536 7.683 3.918 1.00 0.00 C ATOM 1223 O GLY A 78 0.378 8.180 4.578 1.00 0.00 O ATOM 0 H GLY A 78 -2.199 7.081 1.345 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.037 7.349 1.864 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.339 9.028 2.266 1.00 0.00 H new ATOM 1227 N GLU A 79 -1.408 6.817 4.431 1.00 0.00 N ATOM 1228 CA GLU A 79 -1.342 6.395 5.827 1.00 0.00 C ATOM 1229 C GLU A 79 -1.342 4.876 5.942 1.00 0.00 C ATOM 1230 O GLU A 79 -2.027 4.183 5.187 1.00 0.00 O ATOM 1231 CB GLU A 79 -2.484 7.000 6.642 1.00 0.00 C ATOM 1232 CG GLU A 79 -2.415 8.515 6.728 1.00 0.00 C ATOM 1233 CD GLU A 79 -3.502 9.116 7.586 1.00 0.00 C ATOM 1234 OE1 GLU A 79 -3.571 8.777 8.786 1.00 0.00 O ATOM 1235 OE2 GLU A 79 -4.275 9.956 7.072 1.00 0.00 O ATOM 0 H GLU A 79 -2.169 6.394 3.899 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.403 6.765 6.239 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.435 6.710 6.195 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.465 6.583 7.649 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.444 8.805 7.129 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.483 8.932 5.723 1.00 0.00 H new ATOM 1242 N LEU A 80 -0.455 4.376 6.791 1.00 0.00 N ATOM 1243 CA LEU A 80 -0.206 2.950 6.920 1.00 0.00 C ATOM 1244 C LEU A 80 -1.416 2.188 7.442 1.00 0.00 C ATOM 1245 O LEU A 80 -1.983 2.530 8.480 1.00 0.00 O ATOM 1246 CB LEU A 80 0.968 2.716 7.868 1.00 0.00 C ATOM 1247 CG LEU A 80 1.246 1.254 8.196 1.00 0.00 C ATOM 1248 CD1 LEU A 80 1.941 0.547 7.046 1.00 0.00 C ATOM 1249 CD2 LEU A 80 2.058 1.149 9.468 1.00 0.00 C ATOM 0 H LEU A 80 0.114 4.952 7.412 1.00 0.00 H new ATOM 0 HA LEU A 80 0.019 2.576 5.921 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.865 3.151 7.427 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.778 3.252 8.798 1.00 0.00 H new ATOM 0 HG LEU A 80 0.290 0.754 8.351 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.123 -0.493 7.315 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.309 0.587 6.159 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.891 1.039 6.837 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.250 0.100 9.692 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.006 1.672 9.339 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.504 1.600 10.291 1.00 0.00 H new ATOM 1261 N VAL A 81 -1.672 1.056 6.812 1.00 0.00 N ATOM 1262 CA VAL A 81 -2.658 0.109 7.299 1.00 0.00 C ATOM 1263 C VAL A 81 -1.980 -1.238 7.565 1.00 0.00 C ATOM 1264 O VAL A 81 -2.035 -1.768 8.673 1.00 0.00 O ATOM 1265 CB VAL A 81 -3.802 -0.075 6.274 1.00 0.00 C ATOM 1266 CG1 VAL A 81 -4.802 -1.118 6.741 1.00 0.00 C ATOM 1267 CG2 VAL A 81 -4.512 1.245 6.011 1.00 0.00 C ATOM 0 H VAL A 81 -1.205 0.768 5.952 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.087 0.497 8.223 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.352 -0.424 5.344 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.593 -1.223 5.998 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.296 -2.075 6.870 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.236 -0.806 7.691 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.312 1.090 5.287 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.933 1.623 6.942 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.800 1.969 5.615 1.00 0.00 H new ATOM 1277 N GLY A 82 -1.293 -1.748 6.548 1.00 0.00 N ATOM 1278 CA GLY A 82 -0.556 -3.004 6.663 1.00 0.00 C ATOM 1279 C GLY A 82 -0.898 -3.940 5.527 1.00 0.00 C ATOM 1280 O GLY A 82 -2.033 -3.952 5.069 1.00 0.00 O ATOM 0 H GLY A 82 -1.231 -1.309 5.630 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.515 -2.802 6.662 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.790 -3.481 7.615 1.00 0.00 H new ATOM 1284 N GLY A 83 0.122 -4.525 4.921 1.00 0.00 N ATOM 1285 CA GLY A 83 -0.075 -5.220 3.661 1.00 0.00 C ATOM 1286 C GLY A 83 -0.524 -6.670 3.756 1.00 0.00 C ATOM 1287 O GLY A 83 -1.461 -7.056 3.075 1.00 0.00 O ATOM 0 H GLY A 83 1.079 -4.533 5.274 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.814 -4.670 3.079 1.00 0.00 H new ATOM 0 HA3 GLY A 83 0.860 -5.187 3.102 1.00 0.00 H new ATOM 1291 N CYS A 84 0.285 -7.520 4.370 1.00 0.00 N ATOM 1292 CA CYS A 84 0.063 -8.961 4.230 1.00 0.00 C ATOM 1293 C CYS A 84 -1.203 -9.452 4.932 1.00 0.00 C ATOM 1294 O CYS A 84 -2.167 -9.852 4.277 1.00 0.00 O ATOM 1295 CB CYS A 84 1.287 -9.726 4.733 1.00 0.00 C ATOM 1296 SG CYS A 84 1.813 -9.273 6.401 1.00 0.00 S ATOM 0 H CYS A 84 1.078 -7.255 4.953 1.00 0.00 H new ATOM 0 HA CYS A 84 -0.086 -9.156 3.168 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.068 -10.794 4.711 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.115 -9.556 4.045 1.00 0.00 H new ATOM 0 HG CYS A 84 1.201 -10.024 7.268 1.00 0.00 H new ATOM 1302 N ASP A 85 -1.198 -9.425 6.251 1.00 0.00 N ATOM 1303 CA ASP A 85 -2.347 -9.879 7.026 1.00 0.00 C ATOM 1304 C ASP A 85 -3.403 -8.798 7.089 1.00 0.00 C ATOM 1305 O ASP A 85 -4.599 -9.080 7.111 1.00 0.00 O ATOM 1306 CB ASP A 85 -1.932 -10.276 8.445 1.00 0.00 C ATOM 1307 CG ASP A 85 -0.937 -11.419 8.468 1.00 0.00 C ATOM 1308 OD1 ASP A 85 -1.261 -12.510 7.953 1.00 0.00 O ATOM 1309 OD2 ASP A 85 0.174 -11.231 9.012 1.00 0.00 O ATOM 0 H ASP A 85 -0.413 -9.094 6.812 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.759 -10.755 6.526 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -1.497 -9.412 8.947 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.819 -10.561 9.012 1.00 0.00 H new ATOM 1314 N ILE A 86 -2.938 -7.578 7.287 1.00 0.00 N ATOM 1315 CA ILE A 86 -3.819 -6.459 7.556 1.00 0.00 C ATOM 1316 C ILE A 86 -4.798 -6.224 6.404 1.00 0.00 C ATOM 1317 O ILE A 86 -5.990 -6.059 6.638 1.00 0.00 O ATOM 1318 CB ILE A 86 -3.052 -5.145 7.847 1.00 0.00 C ATOM 1319 CG1 ILE A 86 -2.093 -5.267 9.048 1.00 0.00 C ATOM 1320 CG2 ILE A 86 -4.048 -4.032 8.110 1.00 0.00 C ATOM 1321 CD1 ILE A 86 -0.875 -6.140 8.819 1.00 0.00 C ATOM 0 H ILE A 86 -1.947 -7.337 7.266 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.373 -6.734 8.454 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.444 -4.923 6.970 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.756 -4.268 9.326 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.649 -5.664 9.897 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.512 -3.105 8.315 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.683 -3.898 7.234 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.666 -4.292 8.970 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.266 -6.160 9.723 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.194 -7.153 8.575 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.288 -5.736 7.995 1.00 0.00 H new ATOM 1333 N VAL A 87 -4.307 -6.240 5.163 1.00 0.00 N ATOM 1334 CA VAL A 87 -5.182 -6.058 4.005 1.00 0.00 C ATOM 1335 C VAL A 87 -6.261 -7.128 3.973 1.00 0.00 C ATOM 1336 O VAL A 87 -7.437 -6.815 3.838 1.00 0.00 O ATOM 1337 CB VAL A 87 -4.416 -6.079 2.662 1.00 0.00 C ATOM 1338 CG1 VAL A 87 -5.379 -6.042 1.486 1.00 0.00 C ATOM 1339 CG2 VAL A 87 -3.464 -4.904 2.573 1.00 0.00 C ATOM 0 H VAL A 87 -3.322 -6.375 4.936 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.631 -5.072 4.120 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.845 -7.007 2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.815 -6.058 0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.037 -6.910 1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.976 -5.132 1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -2.934 -4.936 1.621 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.027 -3.973 2.644 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.745 -4.956 3.390 1.00 0.00 H new ATOM 1349 N ILE A 88 -5.861 -8.383 4.153 1.00 0.00 N ATOM 1350 CA ILE A 88 -6.815 -9.481 4.192 1.00 0.00 C ATOM 1351 C ILE A 88 -7.816 -9.296 5.328 1.00 0.00 C ATOM 1352 O ILE A 88 -9.023 -9.421 5.119 1.00 0.00 O ATOM 1353 CB ILE A 88 -6.113 -10.851 4.325 1.00 0.00 C ATOM 1354 CG1 ILE A 88 -5.305 -11.167 3.057 1.00 0.00 C ATOM 1355 CG2 ILE A 88 -7.133 -11.952 4.597 1.00 0.00 C ATOM 1356 CD1 ILE A 88 -6.161 -11.317 1.816 1.00 0.00 C ATOM 0 H ILE A 88 -4.887 -8.662 4.273 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.351 -9.468 3.243 1.00 0.00 H new ATOM 0 HB ILE A 88 -5.425 -10.804 5.169 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.577 -10.373 2.893 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.743 -12.087 3.214 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -6.620 -12.909 4.688 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -7.663 -11.736 5.524 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.846 -11.999 3.774 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.524 -11.539 0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.872 -12.131 1.960 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.703 -10.389 1.634 1.00 0.00 H new ATOM 1368 N GLU A 89 -7.326 -8.961 6.518 1.00 0.00 N ATOM 1369 CA GLU A 89 -8.214 -8.727 7.651 1.00 0.00 C ATOM 1370 C GLU A 89 -9.167 -7.568 7.367 1.00 0.00 C ATOM 1371 O GLU A 89 -10.376 -7.729 7.455 1.00 0.00 O ATOM 1372 CB GLU A 89 -7.425 -8.428 8.929 1.00 0.00 C ATOM 1373 CG GLU A 89 -8.322 -8.163 10.133 1.00 0.00 C ATOM 1374 CD GLU A 89 -7.556 -7.767 11.379 1.00 0.00 C ATOM 1375 OE1 GLU A 89 -6.311 -7.731 11.337 1.00 0.00 O ATOM 1376 OE2 GLU A 89 -8.198 -7.491 12.412 1.00 0.00 O ATOM 0 H GLU A 89 -6.333 -8.847 6.721 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.790 -9.641 7.799 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.769 -9.270 9.150 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.786 -7.561 8.761 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.029 -7.372 9.883 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.907 -9.058 10.344 1.00 0.00 H new ATOM 1383 N MET A 90 -8.614 -6.409 7.010 1.00 0.00 N ATOM 1384 CA MET A 90 -9.415 -5.219 6.705 1.00 0.00 C ATOM 1385 C MET A 90 -10.401 -5.484 5.574 1.00 0.00 C ATOM 1386 O MET A 90 -11.558 -5.079 5.643 1.00 0.00 O ATOM 1387 CB MET A 90 -8.509 -4.027 6.381 1.00 0.00 C ATOM 1388 CG MET A 90 -7.698 -3.545 7.571 1.00 0.00 C ATOM 1389 SD MET A 90 -8.741 -3.009 8.942 1.00 0.00 S ATOM 1390 CE MET A 90 -7.502 -2.527 10.140 1.00 0.00 C ATOM 0 H MET A 90 -7.608 -6.267 6.924 1.00 0.00 H new ATOM 0 HA MET A 90 -9.998 -4.973 7.592 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.829 -4.305 5.576 1.00 0.00 H new ATOM 0 HB3 MET A 90 -9.121 -3.205 6.011 1.00 0.00 H new ATOM 0 HG2 MET A 90 -7.042 -4.347 7.909 1.00 0.00 H new ATOM 0 HG3 MET A 90 -7.058 -2.719 7.261 1.00 0.00 H new ATOM 0 HE1 MET A 90 -7.991 -2.171 11.047 1.00 0.00 H new ATOM 0 HE2 MET A 90 -6.874 -3.385 10.379 1.00 0.00 H new ATOM 0 HE3 MET A 90 -6.885 -1.730 9.725 1.00 0.00 H new ATOM 1400 N TYR A 91 -9.969 -6.278 4.617 1.00 0.00 N ATOM 1401 CA TYR A 91 -10.829 -6.769 3.544 1.00 0.00 C ATOM 1402 C TYR A 91 -12.039 -7.502 4.113 1.00 0.00 C ATOM 1403 O TYR A 91 -13.180 -7.188 3.783 1.00 0.00 O ATOM 1404 CB TYR A 91 -9.977 -7.710 2.692 1.00 0.00 C ATOM 1405 CG TYR A 91 -10.724 -8.690 1.829 1.00 0.00 C ATOM 1406 CD1 TYR A 91 -11.441 -8.291 0.718 1.00 0.00 C ATOM 1407 CD2 TYR A 91 -10.662 -10.042 2.120 1.00 0.00 C ATOM 1408 CE1 TYR A 91 -12.092 -9.203 -0.073 1.00 0.00 C ATOM 1409 CE2 TYR A 91 -11.304 -10.968 1.337 1.00 0.00 C ATOM 1410 CZ TYR A 91 -12.022 -10.547 0.239 1.00 0.00 C ATOM 1411 OH TYR A 91 -12.677 -11.466 -0.546 1.00 0.00 O ATOM 0 H TYR A 91 -9.006 -6.607 4.555 1.00 0.00 H new ATOM 0 HA TYR A 91 -11.212 -5.943 2.945 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.339 -7.105 2.048 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.319 -8.271 3.356 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.490 -7.242 0.467 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.098 -10.374 2.979 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -12.655 -8.873 -0.933 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -11.247 -12.019 1.580 1.00 0.00 H new ATOM 0 HH TYR A 91 -12.526 -12.367 -0.191 1.00 0.00 H new ATOM 1421 N GLN A 92 -11.780 -8.447 5.000 1.00 0.00 N ATOM 1422 CA GLN A 92 -12.845 -9.193 5.656 1.00 0.00 C ATOM 1423 C GLN A 92 -13.681 -8.267 6.548 1.00 0.00 C ATOM 1424 O GLN A 92 -14.910 -8.354 6.579 1.00 0.00 O ATOM 1425 CB GLN A 92 -12.255 -10.355 6.456 1.00 0.00 C ATOM 1426 CG GLN A 92 -11.414 -11.289 5.599 1.00 0.00 C ATOM 1427 CD GLN A 92 -10.871 -12.475 6.362 1.00 0.00 C ATOM 1428 OE1 GLN A 92 -10.169 -12.328 7.362 1.00 0.00 O ATOM 1429 NE2 GLN A 92 -11.175 -13.663 5.873 1.00 0.00 N ATOM 0 H GLN A 92 -10.839 -8.718 5.285 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.509 -9.606 4.897 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.641 -9.959 7.265 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.064 -10.921 6.917 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.018 -11.648 4.765 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.582 -10.729 5.172 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.761 -13.737 5.041 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.824 -14.506 6.327 1.00 0.00 H new ATOM 1438 N ARG A 93 -12.997 -7.336 7.210 1.00 0.00 N ATOM 1439 CA ARG A 93 -13.633 -6.317 8.045 1.00 0.00 C ATOM 1440 C ARG A 93 -14.610 -5.470 7.230 1.00 0.00 C ATOM 1441 O ARG A 93 -15.535 -4.873 7.783 1.00 0.00 O ATOM 1442 CB ARG A 93 -12.569 -5.382 8.631 1.00 0.00 C ATOM 1443 CG ARG A 93 -11.516 -6.065 9.486 1.00 0.00 C ATOM 1444 CD ARG A 93 -12.085 -6.593 10.785 1.00 0.00 C ATOM 1445 NE ARG A 93 -12.543 -5.509 11.652 1.00 0.00 N ATOM 1446 CZ ARG A 93 -13.074 -5.695 12.854 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -13.248 -6.925 13.324 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -13.433 -4.649 13.585 1.00 0.00 N ATOM 0 H ARG A 93 -11.980 -7.266 7.183 1.00 0.00 H new ATOM 0 HA ARG A 93 -14.172 -6.832 8.840 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.070 -4.864 7.811 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -13.067 -4.621 9.233 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -11.073 -6.888 8.925 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -10.714 -5.360 9.703 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -12.916 -7.265 10.572 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -11.326 -7.179 11.304 1.00 0.00 H new ATOM 0 HE ARG A 93 -12.449 -4.552 11.313 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -12.973 -7.730 12.761 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -13.656 -7.065 14.248 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -13.301 -3.705 13.223 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -13.841 -4.789 14.509 1.00 0.00 H new ATOM 1462 N GLY A 94 -14.260 -5.246 5.964 1.00 0.00 N ATOM 1463 CA GLY A 94 -14.967 -4.268 5.159 1.00 0.00 C ATOM 1464 C GLY A 94 -14.377 -2.885 5.344 1.00 0.00 C ATOM 1465 O GLY A 94 -14.495 -2.023 4.480 1.00 0.00 O ATOM 0 H GLY A 94 -13.499 -5.726 5.484 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.916 -4.552 4.108 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.021 -4.258 5.436 1.00 0.00 H new ATOM 1469 N GLU A 95 -13.730 -2.689 6.476 1.00 0.00 N ATOM 1470 CA GLU A 95 -13.095 -1.424 6.814 1.00 0.00 C ATOM 1471 C GLU A 95 -12.047 -1.002 5.774 1.00 0.00 C ATOM 1472 O GLU A 95 -11.814 0.182 5.586 1.00 0.00 O ATOM 1473 CB GLU A 95 -12.477 -1.518 8.209 1.00 0.00 C ATOM 1474 CG GLU A 95 -13.513 -1.770 9.292 1.00 0.00 C ATOM 1475 CD GLU A 95 -12.912 -1.935 10.673 1.00 0.00 C ATOM 1476 OE1 GLU A 95 -12.156 -2.906 10.886 1.00 0.00 O ATOM 1477 OE2 GLU A 95 -13.200 -1.097 11.553 1.00 0.00 O ATOM 0 H GLU A 95 -13.628 -3.406 7.194 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.862 -0.650 6.810 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.740 -2.321 8.222 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.944 -0.593 8.429 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.220 -0.940 9.308 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -14.080 -2.667 9.041 1.00 0.00 H new ATOM 1484 N LEU A 96 -11.417 -1.969 5.111 1.00 0.00 N ATOM 1485 CA LEU A 96 -10.384 -1.675 4.106 1.00 0.00 C ATOM 1486 C LEU A 96 -10.948 -0.837 2.973 1.00 0.00 C ATOM 1487 O LEU A 96 -10.492 0.272 2.715 1.00 0.00 O ATOM 1488 CB LEU A 96 -9.817 -2.967 3.518 1.00 0.00 C ATOM 1489 CG LEU A 96 -8.738 -2.780 2.448 1.00 0.00 C ATOM 1490 CD1 LEU A 96 -7.509 -2.098 3.035 1.00 0.00 C ATOM 1491 CD2 LEU A 96 -8.366 -4.115 1.825 1.00 0.00 C ATOM 0 H LEU A 96 -11.599 -2.963 5.247 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.593 -1.120 4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.401 -3.564 4.329 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -10.637 -3.541 3.087 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.141 -2.138 1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.755 -1.975 2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.788 -1.120 3.428 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -7.103 -2.710 3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.598 -3.961 1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.985 -4.783 2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.248 -4.559 1.363 1.00 0.00 H new ATOM 1503 N GLN A 97 -11.987 -1.360 2.354 1.00 0.00 N ATOM 1504 CA GLN A 97 -12.693 -0.654 1.289 1.00 0.00 C ATOM 1505 C GLN A 97 -13.325 0.624 1.812 1.00 0.00 C ATOM 1506 O GLN A 97 -13.417 1.614 1.099 1.00 0.00 O ATOM 1507 CB GLN A 97 -13.743 -1.553 0.638 1.00 0.00 C ATOM 1508 CG GLN A 97 -14.641 -2.257 1.637 1.00 0.00 C ATOM 1509 CD GLN A 97 -15.604 -3.222 0.990 1.00 0.00 C ATOM 1510 OE1 GLN A 97 -15.403 -4.506 1.245 1.00 0.00 O flip ATOM 1511 NE2 GLN A 97 -16.497 -2.825 0.248 1.00 0.00 N flip ATOM 0 H GLN A 97 -12.369 -2.281 2.569 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.963 -0.383 0.526 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -14.359 -0.953 -0.032 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -13.240 -2.300 0.024 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -14.023 -2.796 2.355 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -15.205 -1.512 2.198 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -16.614 -1.826 0.081 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -17.122 -3.494 -0.201 1.00 0.00 H new ATOM 1520 N GLN A 98 -13.675 0.619 3.087 1.00 0.00 N ATOM 1521 CA GLN A 98 -14.199 1.806 3.740 1.00 0.00 C ATOM 1522 C GLN A 98 -13.157 2.908 3.729 1.00 0.00 C ATOM 1523 O GLN A 98 -13.437 4.042 3.332 1.00 0.00 O ATOM 1524 CB GLN A 98 -14.621 1.475 5.174 1.00 0.00 C ATOM 1525 CG GLN A 98 -15.862 0.599 5.264 1.00 0.00 C ATOM 1526 CD GLN A 98 -17.122 1.285 4.756 1.00 0.00 C ATOM 1527 OE1 GLN A 98 -17.035 2.575 4.473 1.00 0.00 O flip ATOM 1528 NE2 GLN A 98 -18.181 0.664 4.655 1.00 0.00 N flip ATOM 0 H GLN A 98 -13.605 -0.199 3.693 1.00 0.00 H new ATOM 0 HA GLN A 98 -15.076 2.155 3.195 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -13.796 0.972 5.678 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -14.805 2.405 5.712 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -15.697 -0.313 4.690 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -16.013 0.300 6.301 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -18.213 -0.330 4.881 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -19.026 1.144 4.345 1.00 0.00 H new ATOM 1537 N LEU A 99 -11.942 2.546 4.101 1.00 0.00 N ATOM 1538 CA LEU A 99 -10.826 3.472 4.079 1.00 0.00 C ATOM 1539 C LEU A 99 -10.508 3.861 2.647 1.00 0.00 C ATOM 1540 O LEU A 99 -10.266 5.033 2.349 1.00 0.00 O ATOM 1541 CB LEU A 99 -9.588 2.827 4.708 1.00 0.00 C ATOM 1542 CG LEU A 99 -9.810 2.166 6.067 1.00 0.00 C ATOM 1543 CD1 LEU A 99 -8.512 1.570 6.589 1.00 0.00 C ATOM 1544 CD2 LEU A 99 -10.382 3.162 7.067 1.00 0.00 C ATOM 0 H LEU A 99 -11.703 1.609 4.424 1.00 0.00 H new ATOM 0 HA LEU A 99 -11.100 4.359 4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.200 2.078 4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.817 3.590 4.816 1.00 0.00 H new ATOM 0 HG LEU A 99 -10.533 1.360 5.939 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.690 1.104 7.558 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.148 0.820 5.887 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.767 2.358 6.697 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -10.532 2.668 8.027 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -9.688 3.993 7.190 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -11.337 3.538 6.700 1.00 0.00 H new ATOM 1556 N ILE A 100 -10.470 2.858 1.773 1.00 0.00 N ATOM 1557 CA ILE A 100 -10.127 3.082 0.379 1.00 0.00 C ATOM 1558 C ILE A 100 -11.128 4.015 -0.277 1.00 0.00 C ATOM 1559 O ILE A 100 -10.735 4.943 -0.960 1.00 0.00 O ATOM 1560 CB ILE A 100 -10.064 1.771 -0.440 1.00 0.00 C ATOM 1561 CG1 ILE A 100 -9.024 0.808 0.144 1.00 0.00 C ATOM 1562 CG2 ILE A 100 -9.745 2.074 -1.901 1.00 0.00 C ATOM 1563 CD1 ILE A 100 -7.616 1.363 0.178 1.00 0.00 C ATOM 0 H ILE A 100 -10.673 1.886 2.009 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.134 3.531 0.382 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.040 1.289 -0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.322 0.540 1.158 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -9.026 -0.111 -0.442 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.704 1.142 -2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -10.521 2.716 -2.317 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.782 2.580 -1.966 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.942 0.620 0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.295 1.604 -0.836 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.595 2.265 0.789 1.00 0.00 H new ATOM 1575 N LYS A 101 -12.416 3.754 -0.088 1.00 0.00 N ATOM 1576 CA LYS A 101 -13.445 4.566 -0.707 1.00 0.00 C ATOM 1577 C LYS A 101 -13.376 6.002 -0.229 1.00 0.00 C ATOM 1578 O LYS A 101 -13.394 6.925 -1.030 1.00 0.00 O ATOM 1579 CB LYS A 101 -14.838 4.028 -0.418 1.00 0.00 C ATOM 1580 CG LYS A 101 -15.895 4.907 -1.044 1.00 0.00 C ATOM 1581 CD LYS A 101 -17.316 4.452 -0.761 1.00 0.00 C ATOM 1582 CE LYS A 101 -17.673 4.556 0.712 1.00 0.00 C ATOM 1583 NZ LYS A 101 -19.101 4.218 0.954 1.00 0.00 N ATOM 0 H LYS A 101 -12.767 2.989 0.487 1.00 0.00 H new ATOM 0 HA LYS A 101 -13.260 4.527 -1.781 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -14.928 3.013 -0.805 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -14.995 3.974 0.659 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -15.770 5.926 -0.678 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -15.740 4.934 -2.123 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -18.011 5.056 -1.344 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -17.437 3.420 -1.090 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -17.037 3.885 1.289 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -17.473 5.568 1.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -19.310 4.299 1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -19.708 4.874 0.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -19.285 3.244 0.640 1.00 0.00 H new ATOM 1597 N GLU A 102 -13.311 6.173 1.080 1.00 0.00 N ATOM 1598 CA GLU A 102 -13.256 7.502 1.678 1.00 0.00 C ATOM 1599 C GLU A 102 -12.086 8.287 1.095 1.00 0.00 C ATOM 1600 O GLU A 102 -12.221 9.443 0.692 1.00 0.00 O ATOM 1601 CB GLU A 102 -13.108 7.369 3.193 1.00 0.00 C ATOM 1602 CG GLU A 102 -12.991 8.693 3.925 1.00 0.00 C ATOM 1603 CD GLU A 102 -12.836 8.517 5.421 1.00 0.00 C ATOM 1604 OE1 GLU A 102 -12.871 7.365 5.900 1.00 0.00 O ATOM 1605 OE2 GLU A 102 -12.686 9.532 6.128 1.00 0.00 O ATOM 0 H GLU A 102 -13.295 5.407 1.754 1.00 0.00 H new ATOM 0 HA GLU A 102 -14.177 8.041 1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -13.968 6.825 3.584 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.225 6.768 3.409 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -12.135 9.245 3.537 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -13.877 9.296 3.723 1.00 0.00 H new ATOM 1612 N THR A 103 -10.960 7.616 1.008 1.00 0.00 N ATOM 1613 CA THR A 103 -9.762 8.181 0.433 1.00 0.00 C ATOM 1614 C THR A 103 -9.869 8.360 -1.081 1.00 0.00 C ATOM 1615 O THR A 103 -9.524 9.413 -1.616 1.00 0.00 O ATOM 1616 CB THR A 103 -8.579 7.292 0.781 1.00 0.00 C ATOM 1617 OG1 THR A 103 -8.462 7.222 2.205 1.00 0.00 O ATOM 1618 CG2 THR A 103 -7.312 7.835 0.185 1.00 0.00 C ATOM 0 H THR A 103 -10.850 6.657 1.337 1.00 0.00 H new ATOM 0 HA THR A 103 -9.621 9.176 0.854 1.00 0.00 H new ATOM 0 HB THR A 103 -8.742 6.296 0.371 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.051 6.517 2.547 1.00 0.00 H new ATOM 0 HG21 THR A 103 -6.478 7.183 0.447 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.410 7.881 -0.900 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.126 8.836 0.575 1.00 0.00 H new ATOM 1626 N ALA A 104 -10.358 7.347 -1.767 1.00 0.00 N ATOM 1627 CA ALA A 104 -10.515 7.413 -3.204 1.00 0.00 C ATOM 1628 C ALA A 104 -11.444 8.560 -3.572 1.00 0.00 C ATOM 1629 O ALA A 104 -11.163 9.331 -4.490 1.00 0.00 O ATOM 1630 CB ALA A 104 -11.060 6.103 -3.738 1.00 0.00 C ATOM 0 H ALA A 104 -10.654 6.465 -1.349 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.539 7.589 -3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -11.172 6.170 -4.820 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.370 5.295 -3.494 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -12.030 5.901 -3.285 1.00 0.00 H new ATOM 1636 N ALA A 105 -12.537 8.664 -2.829 1.00 0.00 N ATOM 1637 CA ALA A 105 -13.522 9.707 -3.033 1.00 0.00 C ATOM 1638 C ALA A 105 -12.916 11.095 -2.835 1.00 0.00 C ATOM 1639 O ALA A 105 -13.226 12.020 -3.574 1.00 0.00 O ATOM 1640 CB ALA A 105 -14.709 9.516 -2.104 1.00 0.00 C ATOM 0 H ALA A 105 -12.762 8.024 -2.067 1.00 0.00 H new ATOM 0 HA ALA A 105 -13.867 9.633 -4.064 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -15.436 10.310 -2.274 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -15.174 8.550 -2.302 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -14.370 9.551 -1.069 1.00 0.00 H new ATOM 1646 N LYS A 106 -12.080 11.257 -1.812 1.00 0.00 N ATOM 1647 CA LYS A 106 -11.488 12.563 -1.541 1.00 0.00 C ATOM 1648 C LYS A 106 -10.415 12.915 -2.578 1.00 0.00 C ATOM 1649 O LYS A 106 -10.261 14.084 -2.932 1.00 0.00 O ATOM 1650 CB LYS A 106 -10.994 12.690 -0.081 1.00 0.00 C ATOM 1651 CG LYS A 106 -9.913 11.716 0.358 1.00 0.00 C ATOM 1652 CD LYS A 106 -8.531 12.095 -0.156 1.00 0.00 C ATOM 1653 CE LYS A 106 -8.037 13.411 0.427 1.00 0.00 C ATOM 1654 NZ LYS A 106 -7.771 13.311 1.888 1.00 0.00 N ATOM 0 H LYS A 106 -11.802 10.516 -1.169 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.274 13.310 -1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -10.620 13.703 0.065 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.852 12.568 0.581 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.891 11.672 1.447 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.166 10.717 0.004 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -7.824 11.303 0.091 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -8.558 12.170 -1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.125 13.715 -0.087 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -8.779 14.188 0.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -7.310 14.183 2.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -8.669 13.180 2.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.147 12.499 2.073 1.00 0.00 H new ATOM 1668 N TYR A 107 -9.710 11.907 -3.107 1.00 0.00 N ATOM 1669 CA TYR A 107 -8.713 12.164 -4.149 1.00 0.00 C ATOM 1670 C TYR A 107 -9.339 12.374 -5.529 1.00 0.00 C ATOM 1671 O TYR A 107 -9.047 13.372 -6.187 1.00 0.00 O ATOM 1672 CB TYR A 107 -7.662 11.057 -4.251 1.00 0.00 C ATOM 1673 CG TYR A 107 -6.610 11.073 -3.168 1.00 0.00 C ATOM 1674 CD1 TYR A 107 -5.479 11.863 -3.309 1.00 0.00 C ATOM 1675 CD2 TYR A 107 -6.736 10.309 -2.017 1.00 0.00 C ATOM 1676 CE1 TYR A 107 -4.501 11.888 -2.337 1.00 0.00 C ATOM 1677 CE2 TYR A 107 -5.764 10.329 -1.045 1.00 0.00 C ATOM 1678 CZ TYR A 107 -4.645 11.119 -1.206 1.00 0.00 C ATOM 1679 OH TYR A 107 -3.667 11.134 -0.240 1.00 0.00 O ATOM 0 H TYR A 107 -9.809 10.928 -2.837 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.225 13.087 -3.837 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.169 10.092 -4.230 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -7.167 11.135 -5.219 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -5.362 12.469 -4.195 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -7.610 9.689 -1.883 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -3.626 12.509 -2.463 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -5.877 9.726 -0.156 1.00 0.00 H new ATOM 0 HH TYR A 107 -2.787 11.050 -0.664 1.00 0.00 H new ATOM 1689 N LYS A 108 -10.267 11.510 -5.936 1.00 0.00 N ATOM 1690 CA LYS A 108 -10.975 11.736 -7.191 1.00 0.00 C ATOM 1691 C LYS A 108 -12.322 12.366 -6.905 1.00 0.00 C ATOM 1692 O LYS A 108 -12.496 13.011 -5.875 1.00 0.00 O ATOM 1693 CB LYS A 108 -11.110 10.461 -8.044 1.00 0.00 C ATOM 1694 CG LYS A 108 -9.794 9.924 -8.607 1.00 0.00 C ATOM 1695 CD LYS A 108 -8.970 9.187 -7.572 1.00 0.00 C ATOM 1696 CE LYS A 108 -9.791 8.067 -6.982 1.00 0.00 C ATOM 1697 NZ LYS A 108 -8.994 7.162 -6.110 1.00 0.00 N ATOM 0 H LYS A 108 -10.540 10.668 -5.429 1.00 0.00 H new ATOM 0 HA LYS A 108 -10.379 12.423 -7.792 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -11.574 9.683 -7.438 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -11.787 10.666 -8.873 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -10.007 9.254 -9.440 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -9.210 10.753 -9.007 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -8.065 8.787 -8.029 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -8.654 9.874 -6.787 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -10.612 8.491 -6.403 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -10.237 7.486 -7.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -9.597 6.384 -5.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -8.196 6.773 -6.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -8.632 7.696 -5.295 1.00 0.00 H new ATOM 1711 N SER A 109 -13.304 12.019 -7.697 1.00 0.00 N ATOM 1712 CA SER A 109 -14.672 12.366 -7.380 1.00 0.00 C ATOM 1713 C SER A 109 -15.224 11.322 -6.418 1.00 0.00 C ATOM 1714 O SER A 109 -14.459 10.646 -5.728 1.00 0.00 O ATOM 1715 CB SER A 109 -15.504 12.446 -8.662 1.00 0.00 C ATOM 1716 OG SER A 109 -14.973 13.427 -9.539 1.00 0.00 O ATOM 0 H SER A 109 -13.186 11.497 -8.565 1.00 0.00 H new ATOM 0 HA SER A 109 -14.717 13.345 -6.903 1.00 0.00 H new ATOM 0 HB2 SER A 109 -15.514 11.475 -9.157 1.00 0.00 H new ATOM 0 HB3 SER A 109 -16.538 12.690 -8.417 1.00 0.00 H new ATOM 0 HG SER A 109 -15.515 13.465 -10.355 1.00 0.00 H new ATOM 1722 N GLU A 110 -16.528 11.170 -6.392 1.00 0.00 N ATOM 1723 CA GLU A 110 -17.185 10.192 -5.541 1.00 0.00 C ATOM 1724 C GLU A 110 -16.936 8.750 -6.000 1.00 0.00 C ATOM 1725 O GLU A 110 -17.885 7.998 -6.236 1.00 0.00 O ATOM 1726 CB GLU A 110 -18.689 10.468 -5.452 1.00 0.00 C ATOM 1727 CG GLU A 110 -19.045 11.731 -4.676 1.00 0.00 C ATOM 1728 CD GLU A 110 -18.674 13.029 -5.371 1.00 0.00 C ATOM 1729 OE1 GLU A 110 -18.353 13.014 -6.578 1.00 0.00 O ATOM 1730 OE2 GLU A 110 -18.761 14.088 -4.720 1.00 0.00 O ATOM 0 H GLU A 110 -17.170 11.721 -6.961 1.00 0.00 H new ATOM 0 HA GLU A 110 -16.744 10.297 -4.550 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -19.093 10.548 -6.461 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -19.177 9.615 -4.980 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -20.118 11.732 -4.483 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -18.547 11.698 -3.707 1.00 0.00 H new ATOM 1737 N GLU A 111 -15.666 8.346 -6.035 1.00 0.00 N ATOM 1738 CA GLU A 111 -15.312 6.966 -6.346 1.00 0.00 C ATOM 1739 C GLU A 111 -15.952 6.029 -5.326 1.00 0.00 C ATOM 1740 O GLU A 111 -15.812 6.217 -4.115 1.00 0.00 O ATOM 1741 CB GLU A 111 -13.792 6.792 -6.345 1.00 0.00 C ATOM 1742 CG GLU A 111 -13.089 7.585 -7.433 1.00 0.00 C ATOM 1743 CD GLU A 111 -13.449 7.107 -8.825 1.00 0.00 C ATOM 1744 OE1 GLU A 111 -14.210 6.126 -8.944 1.00 0.00 O ATOM 1745 OE2 GLU A 111 -12.959 7.700 -9.809 1.00 0.00 O ATOM 0 H GLU A 111 -14.869 8.955 -5.852 1.00 0.00 H new ATOM 0 HA GLU A 111 -15.685 6.720 -7.340 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -13.400 7.096 -5.374 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -13.555 5.735 -6.467 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -13.350 8.639 -7.336 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -12.011 7.509 -7.294 1.00 0.00 H new ATOM 1752 N PRO A 112 -16.768 5.085 -5.801 1.00 0.00 N ATOM 1753 CA PRO A 112 -17.544 4.216 -4.939 1.00 0.00 C ATOM 1754 C PRO A 112 -16.852 2.899 -4.604 1.00 0.00 C ATOM 1755 O PRO A 112 -17.421 1.821 -4.788 1.00 0.00 O ATOM 1756 CB PRO A 112 -18.786 3.950 -5.761 1.00 0.00 C ATOM 1757 CG PRO A 112 -18.349 4.041 -7.186 1.00 0.00 C ATOM 1758 CD PRO A 112 -17.099 4.881 -7.216 1.00 0.00 C ATOM 0 HA PRO A 112 -17.722 4.680 -3.969 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -19.200 2.966 -5.540 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -19.565 4.680 -5.542 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -18.155 3.049 -7.593 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -19.129 4.491 -7.800 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -16.292 4.375 -7.745 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -17.269 5.829 -7.726 1.00 0.00 H new ATOM 1766 N ASP A 113 -15.608 2.997 -4.209 1.00 0.00 N ATOM 1767 CA ASP A 113 -14.768 1.827 -3.950 1.00 0.00 C ATOM 1768 C ASP A 113 -15.446 0.828 -3.012 1.00 0.00 C ATOM 1769 O ASP A 113 -15.587 -0.342 -3.352 1.00 0.00 O ATOM 1770 CB ASP A 113 -13.425 2.275 -3.375 1.00 0.00 C ATOM 1771 CG ASP A 113 -12.594 3.039 -4.391 1.00 0.00 C ATOM 1772 OD1 ASP A 113 -13.094 4.050 -4.929 1.00 0.00 O ATOM 1773 OD2 ASP A 113 -11.441 2.640 -4.650 1.00 0.00 O ATOM 0 H ASP A 113 -15.136 3.888 -4.054 1.00 0.00 H new ATOM 0 HA ASP A 113 -14.606 1.315 -4.898 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -13.597 2.904 -2.502 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.868 1.402 -3.035 1.00 0.00 H new