USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 774 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 65 LYS NZ :NH3+ 174:sc= 0.582 (180deg=-0.0418) USER MOD Set 1.2: A 83 THR OG1 : rot -105:sc= 0.552 USER MOD Set 2.1: A 20 LYS NZ :NH3+ -149:sc= 0.587 (180deg=-0.154) USER MOD Set 2.2: A 24 SER OG : rot 155:sc= 0.541 USER MOD Single : A 8 ASN : amide:sc= -1.03 K(o=-1,f=0) USER MOD Single : A 13 THR OG1 : rot 67:sc= 1.26 USER MOD Single : A 19 CYS SG : rot 78:sc= -0.588 USER MOD Single : A 27 HIS : no HD1:sc= 0.741 K(o=0.74,f=-5.6!) USER MOD Single : A 28 LYS NZ :NH3+ -170:sc=-0.00886 (180deg=-0.116) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 172:sc= 1.07 (180deg=1.03) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0274) USER MOD Single : A 46 LYS NZ :NH3+ -156:sc= -0.839 (180deg=-1.69!) USER MOD Single : A 53 GLN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 174:sc= 0.309 (180deg=0.198) USER MOD Single : A 56 SER OG : rot -89:sc= 1.24 USER MOD Single : A 69 GLN : amide:sc= -2.19! C(o=-2.2!,f=-3.2!) USER MOD Single : A 70 ASN : amide:sc= -0.526 X(o=-0.53,f=-0.35) USER MOD Single : A 72 SER OG : rot -154:sc= -1.03 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -164:sc= -0.0265 (180deg=-0.239) USER MOD Single : A 88 LYS NZ :NH3+ -163:sc= -0.037 (180deg=-0.341) USER MOD Single : A 92 SER OG : rot 51:sc= 0.486 USER MOD Single : A 97 LYS NZ :NH3+ 176:sc= 1.17 (180deg=1.01) USER MOD Single : A 106 MET CE :methyl 138:sc= -1.6 (180deg=-5.18!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N GLY A 5 -14.214 7.636 2.795 1.00 0.00 N ATOM 61 CA GLY A 5 -13.770 8.607 3.779 1.00 0.00 C ATOM 62 C GLY A 5 -12.587 8.112 4.590 1.00 0.00 C ATOM 63 O GLY A 5 -11.851 8.907 5.174 1.00 0.00 O ATOM 0 HA2 GLY A 5 -13.498 9.534 3.273 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.595 8.841 4.452 1.00 0.00 H new ATOM 67 N ILE A 6 -12.414 6.792 4.632 1.00 0.00 N ATOM 68 CA ILE A 6 -11.237 6.182 5.243 1.00 0.00 C ATOM 69 C ILE A 6 -9.981 6.709 4.559 1.00 0.00 C ATOM 70 O ILE A 6 -8.941 6.921 5.185 1.00 0.00 O ATOM 71 CB ILE A 6 -11.283 4.641 5.120 1.00 0.00 C ATOM 72 CG1 ILE A 6 -12.521 4.087 5.833 1.00 0.00 C ATOM 73 CG2 ILE A 6 -10.013 4.013 5.682 1.00 0.00 C ATOM 74 CD1 ILE A 6 -12.687 2.588 5.684 1.00 0.00 C ATOM 0 H ILE A 6 -13.080 6.122 4.247 1.00 0.00 H new ATOM 0 HA ILE A 6 -11.224 6.442 6.301 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.347 4.383 4.063 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.460 4.334 6.893 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -13.409 4.583 5.440 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -10.069 2.929 5.584 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -9.149 4.383 5.130 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -9.911 4.278 6.735 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -13.584 2.267 6.214 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.780 2.335 4.628 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -11.817 2.082 6.103 1.00 0.00 H new ATOM 86 N LEU A 7 -10.111 6.938 3.266 1.00 0.00 N ATOM 87 CA LEU A 7 -9.044 7.501 2.469 1.00 0.00 C ATOM 88 C LEU A 7 -9.569 8.691 1.688 1.00 0.00 C ATOM 89 O LEU A 7 -10.773 8.812 1.458 1.00 0.00 O ATOM 90 CB LEU A 7 -8.400 6.444 1.534 1.00 0.00 C ATOM 91 CG LEU A 7 -9.258 5.799 0.405 1.00 0.00 C ATOM 92 CD1 LEU A 7 -10.577 5.236 0.915 1.00 0.00 C ATOM 93 CD2 LEU A 7 -9.496 6.769 -0.745 1.00 0.00 C ATOM 0 H LEU A 7 -10.962 6.738 2.740 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.253 7.840 3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.534 6.909 1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.025 5.636 2.162 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.675 4.958 0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -11.132 4.800 0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.380 4.468 1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -11.165 6.037 1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.098 6.283 -1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -10.022 7.650 -0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.539 7.070 -1.171 1.00 0.00 H new ATOM 105 N ASN A 8 -8.673 9.580 1.318 1.00 0.00 N ATOM 106 CA ASN A 8 -9.031 10.744 0.537 1.00 0.00 C ATOM 107 C ASN A 8 -8.640 10.516 -0.912 1.00 0.00 C ATOM 108 O ASN A 8 -7.544 10.037 -1.202 1.00 0.00 O ATOM 109 CB ASN A 8 -8.327 11.995 1.072 1.00 0.00 C ATOM 110 CG ASN A 8 -8.734 12.353 2.491 1.00 0.00 C ATOM 111 OD1 ASN A 8 -7.957 12.948 3.238 1.00 0.00 O ATOM 112 ND2 ASN A 8 -9.948 11.990 2.879 1.00 0.00 N ATOM 0 H ASN A 8 -7.681 9.517 1.548 1.00 0.00 H new ATOM 0 HA ASN A 8 -10.108 10.898 0.610 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.249 11.839 1.039 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.547 12.836 0.415 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -10.266 12.202 3.825 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -10.564 11.498 2.232 1.00 0.00 H new ATOM 119 N ASP A 9 -9.538 10.866 -1.819 1.00 0.00 N ATOM 120 CA ASP A 9 -9.263 10.768 -3.247 1.00 0.00 C ATOM 121 C ASP A 9 -8.031 11.589 -3.580 1.00 0.00 C ATOM 122 O ASP A 9 -7.232 11.222 -4.432 1.00 0.00 O ATOM 123 CB ASP A 9 -10.461 11.275 -4.054 1.00 0.00 C ATOM 124 CG ASP A 9 -10.194 11.316 -5.547 1.00 0.00 C ATOM 125 OD1 ASP A 9 -9.694 12.349 -6.041 1.00 0.00 O ATOM 126 OD2 ASP A 9 -10.500 10.326 -6.238 1.00 0.00 O ATOM 0 H ASP A 9 -10.467 11.222 -1.593 1.00 0.00 H new ATOM 0 HA ASP A 9 -9.086 9.724 -3.506 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.320 10.632 -3.861 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.727 12.275 -3.710 1.00 0.00 H new ATOM 131 N ALA A 10 -7.882 12.690 -2.865 1.00 0.00 N ATOM 132 CA ALA A 10 -6.781 13.613 -3.070 1.00 0.00 C ATOM 133 C ALA A 10 -5.443 13.018 -2.633 1.00 0.00 C ATOM 134 O ALA A 10 -4.434 13.191 -3.317 1.00 0.00 O ATOM 135 CB ALA A 10 -7.056 14.895 -2.304 1.00 0.00 C ATOM 0 H ALA A 10 -8.524 12.970 -2.123 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.707 13.821 -4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.232 15.592 -2.454 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.981 15.343 -2.665 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.152 14.671 -1.242 1.00 0.00 H new ATOM 141 N ASP A 11 -5.434 12.309 -1.509 1.00 0.00 N ATOM 142 CA ASP A 11 -4.180 11.826 -0.932 1.00 0.00 C ATOM 143 C ASP A 11 -3.679 10.610 -1.688 1.00 0.00 C ATOM 144 O ASP A 11 -2.488 10.495 -1.995 1.00 0.00 O ATOM 145 CB ASP A 11 -4.347 11.544 0.569 1.00 0.00 C ATOM 146 CG ASP A 11 -4.796 10.145 0.924 1.00 0.00 C ATOM 147 OD1 ASP A 11 -3.938 9.269 1.074 1.00 0.00 O ATOM 148 OD2 ASP A 11 -6.004 9.938 1.125 1.00 0.00 O ATOM 0 H ASP A 11 -6.270 12.057 -0.982 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.424 12.605 -1.032 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.396 11.738 1.065 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.069 12.252 0.976 1.00 0.00 H new ATOM 153 N ILE A 12 -4.600 9.728 -2.008 1.00 0.00 N ATOM 154 CA ILE A 12 -4.307 8.602 -2.882 1.00 0.00 C ATOM 155 C ILE A 12 -3.784 9.101 -4.230 1.00 0.00 C ATOM 156 O ILE A 12 -2.694 8.722 -4.659 1.00 0.00 O ATOM 157 CB ILE A 12 -5.554 7.704 -3.079 1.00 0.00 C ATOM 158 CG1 ILE A 12 -5.618 6.618 -2.001 1.00 0.00 C ATOM 159 CG2 ILE A 12 -5.571 7.060 -4.462 1.00 0.00 C ATOM 160 CD1 ILE A 12 -5.666 7.145 -0.587 1.00 0.00 C ATOM 0 H ILE A 12 -5.564 9.765 -1.677 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.534 7.997 -2.408 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.430 8.347 -2.991 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.499 6.001 -2.176 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.749 5.969 -2.105 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.460 6.438 -4.563 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.584 7.838 -5.225 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.681 6.444 -4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.710 6.309 0.111 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.772 7.737 -0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.550 7.770 -0.461 1.00 0.00 H new ATOM 172 N THR A 13 -4.549 9.980 -4.875 1.00 0.00 N ATOM 173 CA THR A 13 -4.164 10.540 -6.164 1.00 0.00 C ATOM 174 C THR A 13 -2.795 11.225 -6.086 1.00 0.00 C ATOM 175 O THR A 13 -2.025 11.196 -7.045 1.00 0.00 O ATOM 176 CB THR A 13 -5.226 11.537 -6.669 1.00 0.00 C ATOM 177 OG1 THR A 13 -6.480 10.863 -6.867 1.00 0.00 O ATOM 178 CG2 THR A 13 -4.796 12.198 -7.966 1.00 0.00 C ATOM 0 H THR A 13 -5.443 10.320 -4.521 1.00 0.00 H new ATOM 0 HA THR A 13 -4.094 9.714 -6.872 1.00 0.00 H new ATOM 0 HB THR A 13 -5.340 12.312 -5.911 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.832 10.566 -6.002 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.568 12.894 -8.293 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.863 12.739 -7.807 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.647 11.436 -8.731 1.00 0.00 H new ATOM 186 N ALA A 14 -2.486 11.815 -4.934 1.00 0.00 N ATOM 187 CA ALA A 14 -1.192 12.453 -4.726 1.00 0.00 C ATOM 188 C ALA A 14 -0.062 11.452 -4.932 1.00 0.00 C ATOM 189 O ALA A 14 0.936 11.753 -5.586 1.00 0.00 O ATOM 190 CB ALA A 14 -1.113 13.058 -3.334 1.00 0.00 C ATOM 0 H ALA A 14 -3.114 11.864 -4.132 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.084 13.253 -5.459 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.140 13.530 -3.197 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.898 13.805 -3.217 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.244 12.274 -2.588 1.00 0.00 H new ATOM 196 N ALA A 15 -0.234 10.257 -4.380 1.00 0.00 N ATOM 197 CA ALA A 15 0.752 9.194 -4.533 1.00 0.00 C ATOM 198 C ALA A 15 0.810 8.702 -5.978 1.00 0.00 C ATOM 199 O ALA A 15 1.887 8.462 -6.521 1.00 0.00 O ATOM 200 CB ALA A 15 0.433 8.045 -3.592 1.00 0.00 C ATOM 0 H ALA A 15 -1.048 9.999 -3.822 1.00 0.00 H new ATOM 0 HA ALA A 15 1.732 9.597 -4.277 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.176 7.257 -3.715 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.450 8.402 -2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.556 7.650 -3.822 1.00 0.00 H new ATOM 206 N LEU A 16 -0.360 8.571 -6.596 1.00 0.00 N ATOM 207 CA LEU A 16 -0.460 8.123 -7.986 1.00 0.00 C ATOM 208 C LEU A 16 0.239 9.093 -8.932 1.00 0.00 C ATOM 209 O LEU A 16 0.880 8.680 -9.900 1.00 0.00 O ATOM 210 CB LEU A 16 -1.928 7.977 -8.402 1.00 0.00 C ATOM 211 CG LEU A 16 -2.602 6.643 -8.057 1.00 0.00 C ATOM 212 CD1 LEU A 16 -1.906 5.492 -8.761 1.00 0.00 C ATOM 213 CD2 LEU A 16 -2.623 6.408 -6.558 1.00 0.00 C ATOM 0 H LEU A 16 -1.258 8.769 -6.155 1.00 0.00 H new ATOM 0 HA LEU A 16 0.033 7.153 -8.052 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.498 8.780 -7.934 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.995 8.126 -9.480 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.633 6.694 -8.406 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.400 4.555 -8.503 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.955 5.642 -9.839 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.863 5.451 -8.447 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.107 5.455 -6.346 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.601 6.389 -6.178 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.176 7.212 -6.071 1.00 0.00 H new ATOM 225 N ALA A 17 0.101 10.381 -8.647 1.00 0.00 N ATOM 226 CA ALA A 17 0.732 11.419 -9.450 1.00 0.00 C ATOM 227 C ALA A 17 2.227 11.490 -9.168 1.00 0.00 C ATOM 228 O ALA A 17 3.011 11.921 -10.013 1.00 0.00 O ATOM 229 CB ALA A 17 0.077 12.763 -9.177 1.00 0.00 C ATOM 0 H ALA A 17 -0.446 10.733 -7.861 1.00 0.00 H new ATOM 0 HA ALA A 17 0.597 11.169 -10.502 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.557 13.531 -9.783 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.982 12.710 -9.430 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.185 13.013 -8.122 1.00 0.00 H new ATOM 235 N ALA A 18 2.619 11.061 -7.975 1.00 0.00 N ATOM 236 CA ALA A 18 4.019 11.061 -7.591 1.00 0.00 C ATOM 237 C ALA A 18 4.740 9.910 -8.267 1.00 0.00 C ATOM 238 O ALA A 18 5.831 10.078 -8.801 1.00 0.00 O ATOM 239 CB ALA A 18 4.158 10.962 -6.083 1.00 0.00 C ATOM 0 H ALA A 18 1.984 10.709 -7.258 1.00 0.00 H new ATOM 0 HA ALA A 18 4.471 11.999 -7.914 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.214 10.963 -5.814 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.663 11.813 -5.615 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.696 10.038 -5.735 1.00 0.00 H new ATOM 245 N CYS A 19 4.101 8.750 -8.270 1.00 0.00 N ATOM 246 CA CYS A 19 4.646 7.571 -8.928 1.00 0.00 C ATOM 247 C CYS A 19 4.235 7.557 -10.398 1.00 0.00 C ATOM 248 O CYS A 19 3.782 6.541 -10.924 1.00 0.00 O ATOM 249 CB CYS A 19 4.152 6.302 -8.226 1.00 0.00 C ATOM 250 SG CYS A 19 4.617 6.199 -6.480 1.00 0.00 S ATOM 0 H CYS A 19 3.198 8.599 -7.821 1.00 0.00 H new ATOM 0 HA CYS A 19 5.734 7.602 -8.868 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.066 6.254 -8.306 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.549 5.432 -8.749 1.00 0.00 H new ATOM 0 HG CYS A 19 3.837 6.965 -5.777 1.00 0.00 H new ATOM 256 N LYS A 20 4.401 8.703 -11.046 1.00 0.00 N ATOM 257 CA LYS A 20 3.952 8.907 -12.411 1.00 0.00 C ATOM 258 C LYS A 20 4.720 8.049 -13.418 1.00 0.00 C ATOM 259 O LYS A 20 4.139 7.565 -14.388 1.00 0.00 O ATOM 260 CB LYS A 20 4.097 10.386 -12.765 1.00 0.00 C ATOM 261 CG LYS A 20 5.508 10.931 -12.589 1.00 0.00 C ATOM 262 CD LYS A 20 5.598 12.391 -12.991 1.00 0.00 C ATOM 263 CE LYS A 20 7.008 12.941 -12.823 1.00 0.00 C ATOM 264 NZ LYS A 20 7.476 12.880 -11.412 1.00 0.00 N ATOM 0 H LYS A 20 4.854 9.519 -10.634 1.00 0.00 H new ATOM 0 HA LYS A 20 2.908 8.600 -12.469 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.789 10.533 -13.800 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.415 10.966 -12.144 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.814 10.820 -11.549 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.203 10.344 -13.190 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.287 12.501 -14.030 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.905 12.977 -12.387 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.693 12.376 -13.455 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.035 13.975 -13.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.128 13.669 -11.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.659 12.950 -10.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.968 11.979 -11.248 1.00 0.00 H new ATOM 278 N ALA A 21 6.019 7.869 -13.197 1.00 0.00 N ATOM 279 CA ALA A 21 6.854 7.143 -14.146 1.00 0.00 C ATOM 280 C ALA A 21 8.208 6.778 -13.544 1.00 0.00 C ATOM 281 O ALA A 21 8.356 6.703 -12.320 1.00 0.00 O ATOM 282 CB ALA A 21 7.044 7.978 -15.403 1.00 0.00 C ATOM 0 H ALA A 21 6.513 8.214 -12.374 1.00 0.00 H new ATOM 0 HA ALA A 21 6.347 6.212 -14.399 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.669 7.433 -16.111 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.073 8.180 -15.856 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.526 8.921 -15.144 1.00 0.00 H new ATOM 288 N GLU A 22 9.186 6.553 -14.421 1.00 0.00 N ATOM 289 CA GLU A 22 10.534 6.151 -14.027 1.00 0.00 C ATOM 290 C GLU A 22 11.126 7.086 -12.980 1.00 0.00 C ATOM 291 O GLU A 22 11.041 8.311 -13.095 1.00 0.00 O ATOM 292 CB GLU A 22 11.445 6.109 -15.253 1.00 0.00 C ATOM 293 CG GLU A 22 10.990 5.121 -16.312 1.00 0.00 C ATOM 294 CD GLU A 22 10.931 3.701 -15.793 1.00 0.00 C ATOM 295 OE1 GLU A 22 12.003 3.132 -15.489 1.00 0.00 O ATOM 296 OE2 GLU A 22 9.817 3.147 -15.692 1.00 0.00 O ATOM 0 H GLU A 22 9.064 6.645 -15.429 1.00 0.00 H new ATOM 0 HA GLU A 22 10.463 5.158 -13.583 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.494 7.105 -15.694 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.455 5.850 -14.936 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.005 5.412 -16.677 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.671 5.166 -17.162 1.00 0.00 H new ATOM 303 N GLY A 23 11.715 6.490 -11.951 1.00 0.00 N ATOM 304 CA GLY A 23 12.340 7.255 -10.886 1.00 0.00 C ATOM 305 C GLY A 23 11.340 7.928 -9.961 1.00 0.00 C ATOM 306 O GLY A 23 11.719 8.496 -8.936 1.00 0.00 O ATOM 0 H GLY A 23 11.772 5.478 -11.834 1.00 0.00 H new ATOM 0 HA2 GLY A 23 12.978 6.594 -10.300 1.00 0.00 H new ATOM 0 HA3 GLY A 23 12.986 8.015 -11.325 1.00 0.00 H new ATOM 310 N SER A 24 10.066 7.872 -10.315 1.00 0.00 N ATOM 311 CA SER A 24 9.032 8.524 -9.533 1.00 0.00 C ATOM 312 C SER A 24 8.314 7.533 -8.621 1.00 0.00 C ATOM 313 O SER A 24 7.800 7.907 -7.567 1.00 0.00 O ATOM 314 CB SER A 24 8.034 9.202 -10.467 1.00 0.00 C ATOM 315 OG SER A 24 8.678 10.139 -11.312 1.00 0.00 O ATOM 0 H SER A 24 9.724 7.380 -11.141 1.00 0.00 H new ATOM 0 HA SER A 24 9.504 9.274 -8.899 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.529 8.449 -11.072 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.266 9.706 -9.879 1.00 0.00 H new ATOM 0 HG SER A 24 8.151 10.258 -12.130 1.00 0.00 H new ATOM 321 N PHE A 25 8.280 6.268 -9.030 1.00 0.00 N ATOM 322 CA PHE A 25 7.613 5.242 -8.241 1.00 0.00 C ATOM 323 C PHE A 25 8.363 4.945 -6.952 1.00 0.00 C ATOM 324 O PHE A 25 9.522 4.527 -6.966 1.00 0.00 O ATOM 325 CB PHE A 25 7.414 3.946 -9.036 1.00 0.00 C ATOM 326 CG PHE A 25 8.559 3.570 -9.944 1.00 0.00 C ATOM 327 CD1 PHE A 25 9.732 3.039 -9.433 1.00 0.00 C ATOM 328 CD2 PHE A 25 8.446 3.729 -11.314 1.00 0.00 C ATOM 329 CE1 PHE A 25 10.771 2.680 -10.271 1.00 0.00 C ATOM 330 CE2 PHE A 25 9.478 3.368 -12.157 1.00 0.00 C ATOM 331 CZ PHE A 25 10.642 2.844 -11.634 1.00 0.00 C ATOM 0 H PHE A 25 8.703 5.933 -9.895 1.00 0.00 H new ATOM 0 HA PHE A 25 6.632 5.643 -7.987 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.244 3.130 -8.334 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.510 4.042 -9.638 1.00 0.00 H new ATOM 0 HD1 PHE A 25 9.836 2.904 -8.367 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.538 4.141 -11.729 1.00 0.00 H new ATOM 0 HE1 PHE A 25 11.682 2.272 -9.859 1.00 0.00 H new ATOM 0 HE2 PHE A 25 9.374 3.496 -13.224 1.00 0.00 H new ATOM 0 HZ PHE A 25 11.451 2.563 -12.291 1.00 0.00 H new ATOM 341 N ASP A 26 7.703 5.188 -5.839 1.00 0.00 N ATOM 342 CA ASP A 26 8.243 4.828 -4.546 1.00 0.00 C ATOM 343 C ASP A 26 7.141 4.234 -3.684 1.00 0.00 C ATOM 344 O ASP A 26 6.333 4.961 -3.105 1.00 0.00 O ATOM 345 CB ASP A 26 8.875 6.038 -3.862 1.00 0.00 C ATOM 346 CG ASP A 26 9.730 5.634 -2.680 1.00 0.00 C ATOM 347 OD1 ASP A 26 10.863 5.153 -2.898 1.00 0.00 O ATOM 348 OD2 ASP A 26 9.276 5.782 -1.531 1.00 0.00 O ATOM 0 H ASP A 26 6.787 5.636 -5.805 1.00 0.00 H new ATOM 0 HA ASP A 26 9.027 4.083 -4.685 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.485 6.585 -4.581 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.091 6.717 -3.528 1.00 0.00 H new ATOM 353 N HIS A 27 7.089 2.904 -3.645 1.00 0.00 N ATOM 354 CA HIS A 27 6.073 2.179 -2.871 1.00 0.00 C ATOM 355 C HIS A 27 6.026 2.661 -1.429 1.00 0.00 C ATOM 356 O HIS A 27 4.974 2.663 -0.791 1.00 0.00 O ATOM 357 CB HIS A 27 6.341 0.659 -2.907 1.00 0.00 C ATOM 358 CG HIS A 27 7.140 0.130 -1.744 1.00 0.00 C ATOM 359 ND1 HIS A 27 8.516 0.105 -1.717 1.00 0.00 N ATOM 360 CD2 HIS A 27 6.738 -0.392 -0.557 1.00 0.00 C ATOM 361 CE1 HIS A 27 8.926 -0.404 -0.571 1.00 0.00 C ATOM 362 NE2 HIS A 27 7.867 -0.713 0.150 1.00 0.00 N ATOM 0 H HIS A 27 7.742 2.299 -4.143 1.00 0.00 H new ATOM 0 HA HIS A 27 5.106 2.381 -3.332 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.385 0.137 -2.940 1.00 0.00 H new ATOM 0 HB3 HIS A 27 6.868 0.419 -3.831 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.718 -0.529 -0.231 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.955 -0.544 -0.274 1.00 0.00 H new ATOM 0 HE2 HIS A 27 7.885 -1.124 1.083 1.00 0.00 H new ATOM 371 N LYS A 28 7.177 3.046 -0.925 1.00 0.00 N ATOM 372 CA LYS A 28 7.304 3.495 0.439 1.00 0.00 C ATOM 373 C LYS A 28 6.577 4.813 0.614 1.00 0.00 C ATOM 374 O LYS A 28 5.717 4.947 1.483 1.00 0.00 O ATOM 375 CB LYS A 28 8.777 3.651 0.755 1.00 0.00 C ATOM 376 CG LYS A 28 9.085 3.949 2.215 1.00 0.00 C ATOM 377 CD LYS A 28 10.583 4.053 2.451 1.00 0.00 C ATOM 378 CE LYS A 28 10.909 4.345 3.906 1.00 0.00 C ATOM 379 NZ LYS A 28 10.392 5.667 4.346 1.00 0.00 N ATOM 0 H LYS A 28 8.051 3.056 -1.451 1.00 0.00 H new ATOM 0 HA LYS A 28 6.860 2.770 1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.295 2.736 0.468 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.184 4.454 0.141 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.602 4.881 2.508 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.669 3.163 2.845 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.063 3.121 2.151 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.996 4.841 1.821 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.483 3.563 4.535 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.989 4.315 4.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.779 5.897 5.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.680 6.397 3.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.354 5.634 4.399 1.00 0.00 H new ATOM 393 N ALA A 29 6.921 5.775 -0.233 1.00 0.00 N ATOM 394 CA ALA A 29 6.229 7.049 -0.266 1.00 0.00 C ATOM 395 C ALA A 29 4.736 6.829 -0.431 1.00 0.00 C ATOM 396 O ALA A 29 3.935 7.515 0.182 1.00 0.00 O ATOM 397 CB ALA A 29 6.762 7.914 -1.394 1.00 0.00 C ATOM 0 H ALA A 29 7.681 5.692 -0.909 1.00 0.00 H new ATOM 0 HA ALA A 29 6.406 7.565 0.678 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.232 8.866 -1.404 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.827 8.093 -1.243 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.611 7.404 -2.346 1.00 0.00 H new ATOM 403 N PHE A 30 4.372 5.847 -1.245 1.00 0.00 N ATOM 404 CA PHE A 30 2.973 5.503 -1.459 1.00 0.00 C ATOM 405 C PHE A 30 2.277 5.190 -0.130 1.00 0.00 C ATOM 406 O PHE A 30 1.321 5.869 0.242 1.00 0.00 O ATOM 407 CB PHE A 30 2.859 4.307 -2.416 1.00 0.00 C ATOM 408 CG PHE A 30 1.445 3.872 -2.699 1.00 0.00 C ATOM 409 CD1 PHE A 30 0.705 4.481 -3.699 1.00 0.00 C ATOM 410 CD2 PHE A 30 0.860 2.848 -1.968 1.00 0.00 C ATOM 411 CE1 PHE A 30 -0.591 4.079 -3.966 1.00 0.00 C ATOM 412 CE2 PHE A 30 -0.436 2.442 -2.230 1.00 0.00 C ATOM 413 CZ PHE A 30 -1.162 3.060 -3.230 1.00 0.00 C ATOM 0 H PHE A 30 5.030 5.272 -1.770 1.00 0.00 H new ATOM 0 HA PHE A 30 2.476 6.362 -1.909 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.343 4.563 -3.358 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.408 3.465 -1.994 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.146 5.280 -4.277 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.423 2.362 -1.185 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.156 4.562 -4.750 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.880 1.643 -1.654 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.175 2.746 -3.436 1.00 0.00 H new ATOM 423 N PHE A 31 2.782 4.191 0.601 1.00 0.00 N ATOM 424 CA PHE A 31 2.119 3.736 1.828 1.00 0.00 C ATOM 425 C PHE A 31 2.069 4.838 2.867 1.00 0.00 C ATOM 426 O PHE A 31 1.078 5.004 3.573 1.00 0.00 O ATOM 427 CB PHE A 31 2.784 2.461 2.407 1.00 0.00 C ATOM 428 CG PHE A 31 4.078 2.609 3.170 1.00 0.00 C ATOM 429 CD1 PHE A 31 4.133 3.236 4.405 1.00 0.00 C ATOM 430 CD2 PHE A 31 5.236 2.049 2.662 1.00 0.00 C ATOM 431 CE1 PHE A 31 5.318 3.313 5.108 1.00 0.00 C ATOM 432 CE2 PHE A 31 6.424 2.127 3.359 1.00 0.00 C ATOM 433 CZ PHE A 31 6.465 2.759 4.582 1.00 0.00 C ATOM 0 H PHE A 31 3.638 3.687 0.368 1.00 0.00 H new ATOM 0 HA PHE A 31 1.095 3.477 1.559 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.062 1.981 3.068 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.963 1.775 1.579 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.237 3.670 4.823 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.210 1.544 1.708 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.346 3.806 6.068 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.322 1.692 2.946 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.395 2.820 5.128 1.00 0.00 H new ATOM 443 N THR A 32 3.135 5.593 2.943 1.00 0.00 N ATOM 444 CA THR A 32 3.308 6.540 4.010 1.00 0.00 C ATOM 445 C THR A 32 2.657 7.885 3.696 1.00 0.00 C ATOM 446 O THR A 32 2.343 8.658 4.598 1.00 0.00 O ATOM 447 CB THR A 32 4.802 6.652 4.343 1.00 0.00 C ATOM 448 OG1 THR A 32 4.994 7.340 5.588 1.00 0.00 O ATOM 449 CG2 THR A 32 5.584 7.359 3.243 1.00 0.00 C ATOM 0 H THR A 32 3.902 5.568 2.271 1.00 0.00 H new ATOM 0 HA THR A 32 2.789 6.181 4.899 1.00 0.00 H new ATOM 0 HB THR A 32 5.184 5.634 4.427 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.952 7.400 5.784 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.636 7.415 3.523 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.485 6.802 2.311 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.191 8.366 3.107 1.00 0.00 H new ATOM 457 N LYS A 33 2.434 8.148 2.420 1.00 0.00 N ATOM 458 CA LYS A 33 1.764 9.368 1.998 1.00 0.00 C ATOM 459 C LYS A 33 0.258 9.225 2.143 1.00 0.00 C ATOM 460 O LYS A 33 -0.418 10.137 2.622 1.00 0.00 O ATOM 461 CB LYS A 33 2.134 9.679 0.552 1.00 0.00 C ATOM 462 CG LYS A 33 1.572 10.985 0.013 1.00 0.00 C ATOM 463 CD LYS A 33 2.123 11.285 -1.374 1.00 0.00 C ATOM 464 CE LYS A 33 3.612 11.599 -1.321 1.00 0.00 C ATOM 465 NZ LYS A 33 4.178 11.875 -2.666 1.00 0.00 N ATOM 0 H LYS A 33 2.708 7.531 1.655 1.00 0.00 H new ATOM 0 HA LYS A 33 2.089 10.191 2.634 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.220 9.706 0.468 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.786 8.862 -0.080 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.484 10.927 -0.029 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.822 11.800 0.692 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.952 10.430 -2.028 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.586 12.129 -1.806 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.776 12.462 -0.676 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.142 10.760 -0.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.193 12.083 -2.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.046 11.043 -3.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.692 12.693 -3.086 1.00 0.00 H new ATOM 479 N VAL A 34 -0.265 8.070 1.744 1.00 0.00 N ATOM 480 CA VAL A 34 -1.680 7.797 1.848 1.00 0.00 C ATOM 481 C VAL A 34 -2.052 7.363 3.265 1.00 0.00 C ATOM 482 O VAL A 34 -3.216 7.097 3.566 1.00 0.00 O ATOM 483 CB VAL A 34 -2.094 6.705 0.849 1.00 0.00 C ATOM 484 CG1 VAL A 34 -1.629 7.052 -0.554 1.00 0.00 C ATOM 485 CG2 VAL A 34 -1.568 5.343 1.270 1.00 0.00 C ATOM 0 H VAL A 34 0.281 7.307 1.344 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.213 8.718 1.613 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.183 6.654 0.845 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.934 6.265 -1.243 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.076 7.997 -0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.543 7.144 -0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.878 4.593 0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.480 5.373 1.319 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.969 5.085 2.250 1.00 0.00 H new ATOM 495 N GLY A 35 -1.048 7.287 4.128 1.00 0.00 N ATOM 496 CA GLY A 35 -1.273 6.914 5.510 1.00 0.00 C ATOM 497 C GLY A 35 -1.757 5.487 5.650 1.00 0.00 C ATOM 498 O GLY A 35 -2.553 5.180 6.536 1.00 0.00 O ATOM 0 H GLY A 35 -0.074 7.479 3.893 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.348 7.038 6.072 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.007 7.589 5.951 1.00 0.00 H new ATOM 502 N LEU A 36 -1.282 4.612 4.775 1.00 0.00 N ATOM 503 CA LEU A 36 -1.715 3.223 4.781 1.00 0.00 C ATOM 504 C LEU A 36 -1.043 2.454 5.912 1.00 0.00 C ATOM 505 O LEU A 36 -1.636 1.557 6.501 1.00 0.00 O ATOM 506 CB LEU A 36 -1.399 2.554 3.446 1.00 0.00 C ATOM 507 CG LEU A 36 -2.228 1.309 3.142 1.00 0.00 C ATOM 508 CD1 LEU A 36 -3.661 1.692 2.819 1.00 0.00 C ATOM 509 CD2 LEU A 36 -1.612 0.525 1.999 1.00 0.00 C ATOM 0 H LEU A 36 -0.598 4.839 4.053 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.794 3.210 4.937 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.552 3.279 2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.343 2.283 3.432 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.234 0.673 4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.238 0.793 2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.100 2.211 3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.675 2.348 1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.217 -0.359 1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.574 1.151 1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.602 0.219 2.271 1.00 0.00 H new ATOM 521 N ALA A 37 0.192 2.827 6.221 1.00 0.00 N ATOM 522 CA ALA A 37 0.959 2.161 7.270 1.00 0.00 C ATOM 523 C ALA A 37 0.341 2.420 8.644 1.00 0.00 C ATOM 524 O ALA A 37 0.569 1.668 9.593 1.00 0.00 O ATOM 525 CB ALA A 37 2.410 2.624 7.236 1.00 0.00 C ATOM 0 H ALA A 37 0.687 3.590 5.759 1.00 0.00 H new ATOM 0 HA ALA A 37 0.933 1.087 7.087 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.971 2.120 8.023 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.847 2.382 6.267 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.452 3.702 7.394 1.00 0.00 H new ATOM 531 N ALA A 38 -0.447 3.485 8.737 1.00 0.00 N ATOM 532 CA ALA A 38 -1.124 3.841 9.978 1.00 0.00 C ATOM 533 C ALA A 38 -2.533 3.253 10.029 1.00 0.00 C ATOM 534 O ALA A 38 -3.218 3.343 11.051 1.00 0.00 O ATOM 535 CB ALA A 38 -1.175 5.354 10.130 1.00 0.00 C ATOM 0 H ALA A 38 -0.633 4.121 7.962 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.556 3.419 10.807 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.683 5.609 11.060 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.161 5.752 10.149 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.718 5.786 9.290 1.00 0.00 H new ATOM 541 N LYS A 39 -2.958 2.643 8.928 1.00 0.00 N ATOM 542 CA LYS A 39 -4.283 2.036 8.849 1.00 0.00 C ATOM 543 C LYS A 39 -4.335 0.764 9.684 1.00 0.00 C ATOM 544 O LYS A 39 -3.349 0.031 9.781 1.00 0.00 O ATOM 545 CB LYS A 39 -4.643 1.721 7.395 1.00 0.00 C ATOM 546 CG LYS A 39 -4.826 2.952 6.521 1.00 0.00 C ATOM 547 CD LYS A 39 -6.075 3.735 6.903 1.00 0.00 C ATOM 548 CE LYS A 39 -6.256 4.963 6.023 1.00 0.00 C ATOM 549 NZ LYS A 39 -5.219 5.996 6.283 1.00 0.00 N ATOM 0 H LYS A 39 -2.404 2.555 8.076 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.009 2.747 9.244 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.860 1.096 6.965 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.563 1.136 7.378 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.951 3.596 6.612 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.892 2.649 5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.950 3.091 6.815 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.008 4.041 7.947 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.216 4.666 4.975 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.244 5.390 6.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.297 6.752 5.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.358 6.396 7.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.275 5.563 6.225 1.00 0.00 H new ATOM 563 N SER A 40 -5.485 0.518 10.292 1.00 0.00 N ATOM 564 CA SER A 40 -5.675 -0.646 11.143 1.00 0.00 C ATOM 565 C SER A 40 -5.822 -1.915 10.304 1.00 0.00 C ATOM 566 O SER A 40 -6.172 -1.832 9.124 1.00 0.00 O ATOM 567 CB SER A 40 -6.912 -0.443 12.020 1.00 0.00 C ATOM 568 OG SER A 40 -6.830 0.780 12.734 1.00 0.00 O ATOM 0 H SER A 40 -6.308 1.115 10.210 1.00 0.00 H new ATOM 0 HA SER A 40 -4.797 -0.762 11.779 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.808 -0.447 11.399 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.006 -1.272 12.721 1.00 0.00 H new ATOM 0 HG SER A 40 -7.632 0.890 13.287 1.00 0.00 H new ATOM 574 N PRO A 41 -5.538 -3.098 10.887 1.00 0.00 N ATOM 575 CA PRO A 41 -5.618 -4.384 10.179 1.00 0.00 C ATOM 576 C PRO A 41 -6.869 -4.526 9.312 1.00 0.00 C ATOM 577 O PRO A 41 -6.777 -4.907 8.150 1.00 0.00 O ATOM 578 CB PRO A 41 -5.641 -5.399 11.319 1.00 0.00 C ATOM 579 CG PRO A 41 -4.845 -4.757 12.400 1.00 0.00 C ATOM 580 CD PRO A 41 -5.094 -3.275 12.285 1.00 0.00 C ATOM 0 HA PRO A 41 -4.792 -4.508 9.478 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.660 -5.607 11.646 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.203 -6.350 11.014 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.149 -5.128 13.379 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.785 -4.983 12.289 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.854 -2.941 12.991 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.191 -2.701 12.494 1.00 0.00 H new ATOM 588 N ALA A 42 -8.028 -4.196 9.877 1.00 0.00 N ATOM 589 CA ALA A 42 -9.298 -4.322 9.165 1.00 0.00 C ATOM 590 C ALA A 42 -9.327 -3.458 7.905 1.00 0.00 C ATOM 591 O ALA A 42 -9.787 -3.892 6.840 1.00 0.00 O ATOM 592 CB ALA A 42 -10.449 -3.948 10.085 1.00 0.00 C ATOM 0 H ALA A 42 -8.114 -3.838 10.828 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.406 -5.361 8.855 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.392 -4.045 9.546 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.455 -4.613 10.949 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.327 -2.918 10.420 1.00 0.00 H new ATOM 598 N ASP A 43 -8.818 -2.240 8.026 1.00 0.00 N ATOM 599 CA ASP A 43 -8.789 -1.309 6.909 1.00 0.00 C ATOM 600 C ASP A 43 -7.820 -1.807 5.849 1.00 0.00 C ATOM 601 O ASP A 43 -8.116 -1.784 4.658 1.00 0.00 O ATOM 602 CB ASP A 43 -8.377 0.092 7.373 1.00 0.00 C ATOM 603 CG ASP A 43 -9.293 0.646 8.445 1.00 0.00 C ATOM 604 OD1 ASP A 43 -10.388 1.144 8.108 1.00 0.00 O ATOM 605 OD2 ASP A 43 -8.918 0.587 9.636 1.00 0.00 O ATOM 0 H ASP A 43 -8.418 -1.873 8.890 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.792 -1.249 6.486 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.357 0.058 7.755 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.375 0.768 6.518 1.00 0.00 H new ATOM 610 N ILE A 44 -6.669 -2.283 6.291 1.00 0.00 N ATOM 611 CA ILE A 44 -5.674 -2.831 5.384 1.00 0.00 C ATOM 612 C ILE A 44 -6.142 -4.170 4.796 1.00 0.00 C ATOM 613 O ILE A 44 -5.721 -4.562 3.711 1.00 0.00 O ATOM 614 CB ILE A 44 -4.295 -2.953 6.088 1.00 0.00 C ATOM 615 CG1 ILE A 44 -3.433 -1.728 5.751 1.00 0.00 C ATOM 616 CG2 ILE A 44 -3.567 -4.236 5.717 1.00 0.00 C ATOM 617 CD1 ILE A 44 -2.087 -1.710 6.436 1.00 0.00 C ATOM 0 H ILE A 44 -6.399 -2.301 7.275 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.552 -2.141 4.549 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.473 -2.992 7.163 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.280 -1.691 4.672 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.980 -0.826 6.026 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.609 -4.273 6.235 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.171 -5.095 6.009 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.399 -4.260 4.640 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.542 -0.812 6.144 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.229 -1.713 7.517 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.517 -2.592 6.142 1.00 0.00 H new ATOM 629 N LYS A 45 -7.048 -4.843 5.496 1.00 0.00 N ATOM 630 CA LYS A 45 -7.612 -6.102 5.023 1.00 0.00 C ATOM 631 C LYS A 45 -8.423 -5.891 3.742 1.00 0.00 C ATOM 632 O LYS A 45 -8.308 -6.660 2.782 1.00 0.00 O ATOM 633 CB LYS A 45 -8.490 -6.733 6.106 1.00 0.00 C ATOM 634 CG LYS A 45 -9.038 -8.094 5.721 1.00 0.00 C ATOM 635 CD LYS A 45 -7.922 -9.101 5.496 1.00 0.00 C ATOM 636 CE LYS A 45 -8.444 -10.379 4.870 1.00 0.00 C ATOM 637 NZ LYS A 45 -9.454 -11.053 5.728 1.00 0.00 N ATOM 0 H LYS A 45 -7.410 -4.535 6.399 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.788 -6.779 4.799 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.909 -6.830 7.023 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.322 -6.063 6.325 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.702 -8.455 6.506 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.636 -8.003 4.814 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.160 -8.663 4.851 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.441 -9.331 6.447 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.887 -10.152 3.900 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.612 -11.059 4.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.720 -11.963 5.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.052 -11.218 6.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.297 -10.450 5.811 1.00 0.00 H new ATOM 651 N LYS A 46 -9.243 -4.850 3.713 1.00 0.00 N ATOM 652 CA LYS A 46 -9.985 -4.539 2.497 1.00 0.00 C ATOM 653 C LYS A 46 -9.039 -3.964 1.446 1.00 0.00 C ATOM 654 O LYS A 46 -9.294 -4.056 0.252 1.00 0.00 O ATOM 655 CB LYS A 46 -11.178 -3.605 2.780 1.00 0.00 C ATOM 656 CG LYS A 46 -10.829 -2.313 3.506 1.00 0.00 C ATOM 657 CD LYS A 46 -10.410 -1.196 2.555 1.00 0.00 C ATOM 658 CE LYS A 46 -11.606 -0.424 2.009 1.00 0.00 C ATOM 659 NZ LYS A 46 -12.403 -1.206 1.027 1.00 0.00 N ATOM 0 H LYS A 46 -9.410 -4.219 4.497 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.410 -5.462 2.102 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.655 -3.354 1.833 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.913 -4.149 3.373 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.690 -1.985 4.088 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.021 -2.505 4.212 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.744 -0.509 3.076 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.845 -1.621 1.725 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -12.249 -0.128 2.838 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.254 0.493 1.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.922 -0.555 0.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.766 -1.798 0.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -13.079 -1.813 1.533 1.00 0.00 H new ATOM 673 N VAL A 47 -7.928 -3.392 1.893 1.00 0.00 N ATOM 674 CA VAL A 47 -6.875 -2.981 0.975 1.00 0.00 C ATOM 675 C VAL A 47 -6.271 -4.210 0.301 1.00 0.00 C ATOM 676 O VAL A 47 -5.970 -4.202 -0.897 1.00 0.00 O ATOM 677 CB VAL A 47 -5.770 -2.176 1.692 1.00 0.00 C ATOM 678 CG1 VAL A 47 -4.636 -1.842 0.737 1.00 0.00 C ATOM 679 CG2 VAL A 47 -6.350 -0.907 2.293 1.00 0.00 C ATOM 0 H VAL A 47 -7.734 -3.204 2.877 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.322 -2.330 0.224 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.365 -2.791 2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.870 -1.275 1.266 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.202 -2.764 0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.021 -1.247 -0.091 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.560 -0.349 2.796 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.781 -0.294 1.502 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.125 -1.167 3.013 1.00 0.00 H new ATOM 689 N PHE A 48 -6.132 -5.275 1.082 1.00 0.00 N ATOM 690 CA PHE A 48 -5.639 -6.550 0.582 1.00 0.00 C ATOM 691 C PHE A 48 -6.528 -7.086 -0.531 1.00 0.00 C ATOM 692 O PHE A 48 -6.044 -7.696 -1.483 1.00 0.00 O ATOM 693 CB PHE A 48 -5.553 -7.579 1.709 1.00 0.00 C ATOM 694 CG PHE A 48 -4.399 -7.375 2.659 1.00 0.00 C ATOM 695 CD1 PHE A 48 -3.238 -6.731 2.253 1.00 0.00 C ATOM 696 CD2 PHE A 48 -4.475 -7.846 3.959 1.00 0.00 C ATOM 697 CE1 PHE A 48 -2.183 -6.561 3.128 1.00 0.00 C ATOM 698 CE2 PHE A 48 -3.422 -7.682 4.835 1.00 0.00 C ATOM 699 CZ PHE A 48 -2.275 -7.039 4.420 1.00 0.00 C ATOM 0 H PHE A 48 -6.358 -5.278 2.077 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.641 -6.378 0.179 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.483 -7.555 2.277 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.474 -8.574 1.270 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.159 -6.359 1.242 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.371 -8.349 4.292 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.287 -6.054 2.802 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.496 -8.057 5.845 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.450 -6.909 5.105 1.00 0.00 H new ATOM 709 N GLU A 49 -7.825 -6.857 -0.416 1.00 0.00 N ATOM 710 CA GLU A 49 -8.743 -7.300 -1.452 1.00 0.00 C ATOM 711 C GLU A 49 -8.714 -6.335 -2.641 1.00 0.00 C ATOM 712 O GLU A 49 -9.190 -6.668 -3.721 1.00 0.00 O ATOM 713 CB GLU A 49 -10.168 -7.449 -0.898 1.00 0.00 C ATOM 714 CG GLU A 49 -10.946 -6.150 -0.807 1.00 0.00 C ATOM 715 CD GLU A 49 -12.327 -6.340 -0.228 1.00 0.00 C ATOM 716 OE1 GLU A 49 -12.446 -6.503 1.001 1.00 0.00 O ATOM 717 OE2 GLU A 49 -13.307 -6.320 -1.002 1.00 0.00 O ATOM 0 H GLU A 49 -8.261 -6.375 0.370 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.419 -8.281 -1.800 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.719 -8.145 -1.531 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.114 -7.896 0.095 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.392 -5.441 -0.191 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.030 -5.711 -1.801 1.00 0.00 H new ATOM 724 N ILE A 50 -8.159 -5.137 -2.442 1.00 0.00 N ATOM 725 CA ILE A 50 -8.025 -4.181 -3.541 1.00 0.00 C ATOM 726 C ILE A 50 -6.974 -4.640 -4.557 1.00 0.00 C ATOM 727 O ILE A 50 -7.227 -4.582 -5.760 1.00 0.00 O ATOM 728 CB ILE A 50 -7.672 -2.757 -3.063 1.00 0.00 C ATOM 729 CG1 ILE A 50 -8.636 -2.297 -1.977 1.00 0.00 C ATOM 730 CG2 ILE A 50 -7.729 -1.786 -4.232 1.00 0.00 C ATOM 731 CD1 ILE A 50 -8.277 -0.952 -1.390 1.00 0.00 C ATOM 0 H ILE A 50 -7.801 -4.810 -1.545 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.006 -4.145 -4.015 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.662 -2.777 -2.653 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.643 -2.248 -2.392 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.656 -3.040 -1.180 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.478 -0.784 -3.885 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.016 -2.094 -4.996 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.734 -1.783 -4.654 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.004 -0.684 -0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.283 -1.002 -0.946 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.285 -0.198 -2.177 1.00 0.00 H new ATOM 743 N ILE A 51 -5.795 -5.096 -4.089 1.00 0.00 N ATOM 744 CA ILE A 51 -4.790 -5.629 -5.023 1.00 0.00 C ATOM 745 C ILE A 51 -5.367 -6.846 -5.709 1.00 0.00 C ATOM 746 O ILE A 51 -5.135 -7.085 -6.895 1.00 0.00 O ATOM 747 CB ILE A 51 -3.409 -5.999 -4.392 1.00 0.00 C ATOM 748 CG1 ILE A 51 -3.562 -6.585 -2.978 1.00 0.00 C ATOM 749 CG2 ILE A 51 -2.487 -4.790 -4.386 1.00 0.00 C ATOM 750 CD1 ILE A 51 -3.478 -5.550 -1.876 1.00 0.00 C ATOM 0 H ILE A 51 -5.523 -5.106 -3.106 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.574 -4.819 -5.720 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.960 -6.775 -5.011 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.521 -7.098 -2.909 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.787 -7.335 -2.820 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.530 -5.065 -3.943 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.329 -4.448 -5.409 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.941 -3.989 -3.802 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.595 -6.038 -0.909 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.509 -5.053 -1.917 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.270 -4.813 -2.008 1.00 0.00 H new ATOM 762 N ASP A 52 -6.157 -7.596 -4.958 1.00 0.00 N ATOM 763 CA ASP A 52 -6.871 -8.728 -5.506 1.00 0.00 C ATOM 764 C ASP A 52 -8.130 -8.231 -6.222 1.00 0.00 C ATOM 765 O ASP A 52 -9.247 -8.563 -5.833 1.00 0.00 O ATOM 766 CB ASP A 52 -7.260 -9.709 -4.396 1.00 0.00 C ATOM 767 CG ASP A 52 -7.753 -11.036 -4.931 1.00 0.00 C ATOM 768 OD1 ASP A 52 -7.312 -11.466 -6.034 1.00 0.00 O ATOM 769 OD2 ASP A 52 -8.575 -11.670 -4.256 1.00 0.00 O ATOM 0 H ASP A 52 -6.318 -7.437 -3.963 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.224 -9.247 -6.213 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.398 -9.880 -3.751 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.037 -9.261 -3.777 1.00 0.00 H new ATOM 774 N GLN A 53 -7.930 -7.432 -7.265 1.00 0.00 N ATOM 775 CA GLN A 53 -9.021 -6.735 -7.951 1.00 0.00 C ATOM 776 C GLN A 53 -10.065 -7.729 -8.461 1.00 0.00 C ATOM 777 O GLN A 53 -11.268 -7.477 -8.418 1.00 0.00 O ATOM 778 CB GLN A 53 -8.436 -5.918 -9.112 1.00 0.00 C ATOM 779 CG GLN A 53 -9.159 -4.610 -9.406 1.00 0.00 C ATOM 780 CD GLN A 53 -10.437 -4.786 -10.201 1.00 0.00 C ATOM 781 OE1 GLN A 53 -10.409 -4.815 -11.430 1.00 0.00 O ATOM 782 NE2 GLN A 53 -11.565 -4.868 -9.517 1.00 0.00 N ATOM 0 H GLN A 53 -7.008 -7.247 -7.661 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.520 -6.066 -7.250 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.392 -5.697 -8.891 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.448 -6.533 -10.012 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.393 -4.115 -8.464 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.488 -3.950 -9.955 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.546 -4.840 -8.498 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.454 -4.959 -10.009 1.00 0.00 H new ATOM 791 N ASP A 54 -9.584 -8.869 -8.917 1.00 0.00 N ATOM 792 CA ASP A 54 -10.445 -9.936 -9.429 1.00 0.00 C ATOM 793 C ASP A 54 -11.143 -10.694 -8.290 1.00 0.00 C ATOM 794 O ASP A 54 -12.171 -11.348 -8.496 1.00 0.00 O ATOM 795 CB ASP A 54 -9.604 -10.890 -10.289 1.00 0.00 C ATOM 796 CG ASP A 54 -10.261 -12.229 -10.533 1.00 0.00 C ATOM 797 OD1 ASP A 54 -11.068 -12.343 -11.478 1.00 0.00 O ATOM 798 OD2 ASP A 54 -9.961 -13.183 -9.787 1.00 0.00 O ATOM 0 H ASP A 54 -8.588 -9.089 -8.946 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.230 -9.492 -10.041 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.400 -10.415 -11.249 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.642 -11.051 -9.802 1.00 0.00 H new ATOM 803 N LYS A 55 -10.595 -10.555 -7.083 1.00 0.00 N ATOM 804 CA LYS A 55 -11.073 -11.267 -5.896 1.00 0.00 C ATOM 805 C LYS A 55 -10.920 -12.778 -6.070 1.00 0.00 C ATOM 806 O LYS A 55 -11.890 -13.531 -6.130 1.00 0.00 O ATOM 807 CB LYS A 55 -12.510 -10.879 -5.533 1.00 0.00 C ATOM 808 CG LYS A 55 -13.018 -11.550 -4.262 1.00 0.00 C ATOM 809 CD LYS A 55 -12.065 -11.351 -3.087 1.00 0.00 C ATOM 810 CE LYS A 55 -12.516 -12.145 -1.867 1.00 0.00 C ATOM 811 NZ LYS A 55 -12.610 -13.607 -2.143 1.00 0.00 N ATOM 0 H LYS A 55 -9.801 -9.941 -6.899 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.448 -10.963 -5.056 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.566 -9.797 -5.411 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.169 -11.141 -6.361 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -13.997 -11.146 -4.006 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.151 -12.616 -4.444 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.060 -11.661 -3.374 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.012 -10.292 -2.835 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.816 -11.977 -1.048 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.487 -11.777 -1.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.821 -14.114 -1.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.369 -13.782 -2.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.706 -13.946 -2.529 1.00 0.00 H new ATOM 825 N SER A 56 -9.676 -13.197 -6.162 1.00 0.00 N ATOM 826 CA SER A 56 -9.329 -14.591 -6.349 1.00 0.00 C ATOM 827 C SER A 56 -8.668 -15.150 -5.091 1.00 0.00 C ATOM 828 O SER A 56 -8.281 -16.317 -5.052 1.00 0.00 O ATOM 829 CB SER A 56 -8.370 -14.700 -7.530 1.00 0.00 C ATOM 830 OG SER A 56 -8.037 -13.401 -8.023 1.00 0.00 O ATOM 0 H SER A 56 -8.870 -12.575 -6.109 1.00 0.00 H new ATOM 0 HA SER A 56 -10.233 -15.168 -6.545 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.464 -15.223 -7.224 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.826 -15.291 -8.324 1.00 0.00 H new ATOM 0 HG SER A 56 -8.684 -13.136 -8.709 1.00 0.00 H new ATOM 836 N ASP A 57 -8.517 -14.281 -4.085 1.00 0.00 N ATOM 837 CA ASP A 57 -7.809 -14.595 -2.836 1.00 0.00 C ATOM 838 C ASP A 57 -6.309 -14.690 -3.086 1.00 0.00 C ATOM 839 O ASP A 57 -5.519 -14.916 -2.170 1.00 0.00 O ATOM 840 CB ASP A 57 -8.339 -15.873 -2.176 1.00 0.00 C ATOM 841 CG ASP A 57 -9.680 -15.656 -1.504 1.00 0.00 C ATOM 842 OD1 ASP A 57 -10.710 -15.621 -2.215 1.00 0.00 O ATOM 843 OD2 ASP A 57 -9.710 -15.503 -0.264 1.00 0.00 O ATOM 0 H ASP A 57 -8.886 -13.331 -4.114 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.997 -13.779 -2.138 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.434 -16.656 -2.928 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.618 -16.225 -1.439 1.00 0.00 H new ATOM 848 N PHE A 58 -5.939 -14.502 -4.343 1.00 0.00 N ATOM 849 CA PHE A 58 -4.554 -14.388 -4.762 1.00 0.00 C ATOM 850 C PHE A 58 -4.454 -13.237 -5.748 1.00 0.00 C ATOM 851 O PHE A 58 -5.345 -13.054 -6.589 1.00 0.00 O ATOM 852 CB PHE A 58 -4.056 -15.684 -5.408 1.00 0.00 C ATOM 853 CG PHE A 58 -3.953 -16.841 -4.452 1.00 0.00 C ATOM 854 CD1 PHE A 58 -2.831 -16.994 -3.653 1.00 0.00 C ATOM 855 CD2 PHE A 58 -4.974 -17.773 -4.354 1.00 0.00 C ATOM 856 CE1 PHE A 58 -2.730 -18.056 -2.773 1.00 0.00 C ATOM 857 CE2 PHE A 58 -4.879 -18.836 -3.475 1.00 0.00 C ATOM 858 CZ PHE A 58 -3.755 -18.977 -2.685 1.00 0.00 C ATOM 0 H PHE A 58 -6.605 -14.423 -5.112 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.927 -14.202 -3.890 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.730 -15.956 -6.221 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.077 -15.504 -5.852 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.027 -16.276 -3.718 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.854 -17.668 -4.971 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.851 -18.165 -2.155 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.682 -19.555 -3.406 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.678 -19.807 -1.999 1.00 0.00 H new ATOM 868 N VAL A 59 -3.403 -12.450 -5.635 1.00 0.00 N ATOM 869 CA VAL A 59 -3.270 -11.247 -6.435 1.00 0.00 C ATOM 870 C VAL A 59 -2.280 -11.444 -7.572 1.00 0.00 C ATOM 871 O VAL A 59 -1.092 -11.629 -7.337 1.00 0.00 O ATOM 872 CB VAL A 59 -2.801 -10.068 -5.576 1.00 0.00 C ATOM 873 CG1 VAL A 59 -2.705 -8.811 -6.406 1.00 0.00 C ATOM 874 CG2 VAL A 59 -3.718 -9.870 -4.383 1.00 0.00 C ATOM 0 H VAL A 59 -2.627 -12.622 -4.996 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.255 -11.032 -6.849 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.806 -10.296 -5.195 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.370 -7.985 -5.778 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.992 -8.963 -7.216 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.684 -8.576 -6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.365 -9.028 -3.788 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.731 -9.668 -4.732 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.718 -10.772 -3.771 1.00 0.00 H new ATOM 884 N GLU A 60 -2.776 -11.400 -8.797 1.00 0.00 N ATOM 885 CA GLU A 60 -1.927 -11.554 -9.965 1.00 0.00 C ATOM 886 C GLU A 60 -1.357 -10.209 -10.419 1.00 0.00 C ATOM 887 O GLU A 60 -1.681 -9.162 -9.856 1.00 0.00 O ATOM 888 CB GLU A 60 -2.703 -12.187 -11.114 1.00 0.00 C ATOM 889 CG GLU A 60 -3.428 -13.456 -10.725 1.00 0.00 C ATOM 890 CD GLU A 60 -2.506 -14.573 -10.301 1.00 0.00 C ATOM 891 OE1 GLU A 60 -1.658 -15.002 -11.114 1.00 0.00 O ATOM 892 OE2 GLU A 60 -2.634 -15.047 -9.152 1.00 0.00 O ATOM 0 H GLU A 60 -3.764 -11.259 -9.008 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.101 -12.207 -9.683 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.427 -11.466 -11.494 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.014 -12.407 -11.930 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.117 -13.236 -9.910 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.030 -13.794 -11.569 1.00 0.00 H new ATOM 899 N GLU A 61 -0.527 -10.250 -11.445 1.00 0.00 N ATOM 900 CA GLU A 61 0.072 -9.052 -12.028 1.00 0.00 C ATOM 901 C GLU A 61 -0.989 -8.176 -12.686 1.00 0.00 C ATOM 902 O GLU A 61 -1.037 -6.961 -12.471 1.00 0.00 O ATOM 903 CB GLU A 61 1.141 -9.496 -13.035 1.00 0.00 C ATOM 904 CG GLU A 61 1.754 -8.390 -13.878 1.00 0.00 C ATOM 905 CD GLU A 61 0.974 -8.102 -15.144 1.00 0.00 C ATOM 906 OE1 GLU A 61 0.683 -9.054 -15.900 1.00 0.00 O ATOM 907 OE2 GLU A 61 0.660 -6.926 -15.397 1.00 0.00 O ATOM 0 H GLU A 61 -0.245 -11.117 -11.903 1.00 0.00 H new ATOM 0 HA GLU A 61 0.535 -8.446 -11.249 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.941 -9.998 -12.490 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.699 -10.235 -13.704 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.815 -7.480 -13.282 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.774 -8.667 -14.143 1.00 0.00 H new ATOM 914 N ASP A 62 -1.856 -8.801 -13.463 1.00 0.00 N ATOM 915 CA ASP A 62 -2.890 -8.077 -14.189 1.00 0.00 C ATOM 916 C ASP A 62 -3.925 -7.506 -13.225 1.00 0.00 C ATOM 917 O ASP A 62 -4.611 -6.533 -13.537 1.00 0.00 O ATOM 918 CB ASP A 62 -3.546 -8.992 -15.220 1.00 0.00 C ATOM 919 CG ASP A 62 -4.373 -10.095 -14.594 1.00 0.00 C ATOM 920 OD1 ASP A 62 -3.832 -10.861 -13.769 1.00 0.00 O ATOM 921 OD2 ASP A 62 -5.568 -10.207 -14.929 1.00 0.00 O ATOM 0 H ASP A 62 -1.866 -9.810 -13.609 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.429 -7.241 -14.716 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.182 -8.395 -15.874 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -2.773 -9.437 -15.847 1.00 0.00 H new ATOM 926 N GLU A 63 -4.023 -8.110 -12.046 1.00 0.00 N ATOM 927 CA GLU A 63 -4.860 -7.572 -10.984 1.00 0.00 C ATOM 928 C GLU A 63 -4.242 -6.302 -10.426 1.00 0.00 C ATOM 929 O GLU A 63 -4.940 -5.332 -10.148 1.00 0.00 O ATOM 930 CB GLU A 63 -5.049 -8.594 -9.863 1.00 0.00 C ATOM 931 CG GLU A 63 -5.951 -9.749 -10.250 1.00 0.00 C ATOM 932 CD GLU A 63 -6.242 -10.673 -9.092 1.00 0.00 C ATOM 933 OE1 GLU A 63 -5.439 -11.558 -8.779 1.00 0.00 O ATOM 934 OE2 GLU A 63 -7.294 -10.554 -8.458 1.00 0.00 O ATOM 0 H GLU A 63 -3.533 -8.971 -11.803 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.838 -7.342 -11.407 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.075 -8.985 -9.570 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.467 -8.092 -8.990 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.890 -9.357 -10.641 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.483 -10.317 -11.054 1.00 0.00 H new ATOM 941 N LEU A 64 -2.919 -6.313 -10.298 1.00 0.00 N ATOM 942 CA LEU A 64 -2.177 -5.171 -9.782 1.00 0.00 C ATOM 943 C LEU A 64 -2.343 -3.967 -10.698 1.00 0.00 C ATOM 944 O LEU A 64 -2.281 -2.822 -10.258 1.00 0.00 O ATOM 945 CB LEU A 64 -0.693 -5.524 -9.664 1.00 0.00 C ATOM 946 CG LEU A 64 -0.052 -5.241 -8.304 1.00 0.00 C ATOM 947 CD1 LEU A 64 -0.101 -3.764 -7.967 1.00 0.00 C ATOM 948 CD2 LEU A 64 -0.732 -6.058 -7.223 1.00 0.00 C ATOM 0 H LEU A 64 -2.334 -7.111 -10.548 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.571 -4.920 -8.797 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.571 -6.583 -9.890 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.145 -4.971 -10.426 1.00 0.00 H new ATOM 0 HG LEU A 64 0.997 -5.533 -8.358 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.362 -3.597 -6.995 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.438 -3.199 -8.728 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.139 -3.432 -7.936 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.266 -5.847 -6.260 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.789 -5.796 -7.180 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.630 -7.119 -7.451 1.00 0.00 H new ATOM 960 N LYS A 65 -2.552 -4.241 -11.974 1.00 0.00 N ATOM 961 CA LYS A 65 -2.707 -3.189 -12.965 1.00 0.00 C ATOM 962 C LYS A 65 -3.901 -2.289 -12.657 1.00 0.00 C ATOM 963 O LYS A 65 -3.758 -1.075 -12.557 1.00 0.00 O ATOM 964 CB LYS A 65 -2.866 -3.798 -14.357 1.00 0.00 C ATOM 965 CG LYS A 65 -1.719 -3.494 -15.304 1.00 0.00 C ATOM 966 CD LYS A 65 -0.376 -3.883 -14.712 1.00 0.00 C ATOM 967 CE LYS A 65 0.688 -3.974 -15.792 1.00 0.00 C ATOM 968 NZ LYS A 65 2.019 -4.353 -15.251 1.00 0.00 N ATOM 0 H LYS A 65 -2.619 -5.187 -12.350 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.808 -2.574 -12.933 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.965 -4.879 -14.259 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.793 -3.432 -14.798 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.871 -4.029 -16.241 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.717 -2.430 -15.541 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.078 -3.149 -13.964 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.464 -4.842 -14.201 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.381 -4.707 -16.539 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.767 -3.014 -16.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.684 -4.500 -16.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.373 -3.593 -14.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.933 -5.231 -14.701 1.00 0.00 H new ATOM 982 N LEU A 66 -5.080 -2.878 -12.522 1.00 0.00 N ATOM 983 CA LEU A 66 -6.289 -2.087 -12.320 1.00 0.00 C ATOM 984 C LEU A 66 -6.714 -2.058 -10.861 1.00 0.00 C ATOM 985 O LEU A 66 -7.764 -1.503 -10.525 1.00 0.00 O ATOM 986 CB LEU A 66 -7.436 -2.580 -13.208 1.00 0.00 C ATOM 987 CG LEU A 66 -7.193 -2.433 -14.714 1.00 0.00 C ATOM 988 CD1 LEU A 66 -6.332 -1.209 -15.005 1.00 0.00 C ATOM 989 CD2 LEU A 66 -6.561 -3.691 -15.284 1.00 0.00 C ATOM 0 H LEU A 66 -5.227 -3.887 -12.548 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.048 -1.065 -12.612 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.623 -3.631 -12.985 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.341 -2.032 -12.945 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.157 -2.291 -15.202 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.172 -1.124 -16.080 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.837 -0.314 -14.641 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.370 -1.313 -14.502 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.398 -3.563 -16.354 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.606 -3.874 -14.791 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.225 -4.539 -15.117 1.00 0.00 H new ATOM 1001 N PHE A 67 -5.895 -2.638 -9.991 1.00 0.00 N ATOM 1002 CA PHE A 67 -6.191 -2.647 -8.564 1.00 0.00 C ATOM 1003 C PHE A 67 -6.333 -1.212 -8.063 1.00 0.00 C ATOM 1004 O PHE A 67 -7.130 -0.920 -7.174 1.00 0.00 O ATOM 1005 CB PHE A 67 -5.099 -3.398 -7.782 1.00 0.00 C ATOM 1006 CG PHE A 67 -4.191 -2.536 -6.932 1.00 0.00 C ATOM 1007 CD1 PHE A 67 -4.510 -2.254 -5.612 1.00 0.00 C ATOM 1008 CD2 PHE A 67 -3.017 -2.018 -7.449 1.00 0.00 C ATOM 1009 CE1 PHE A 67 -3.682 -1.473 -4.830 1.00 0.00 C ATOM 1010 CE2 PHE A 67 -2.183 -1.236 -6.671 1.00 0.00 C ATOM 1011 CZ PHE A 67 -2.515 -0.963 -5.361 1.00 0.00 C ATOM 0 H PHE A 67 -5.025 -3.106 -10.247 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.132 -3.173 -8.400 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.580 -4.133 -7.137 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.484 -3.951 -8.492 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.421 -2.652 -5.189 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.748 -2.227 -8.474 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.947 -1.262 -3.805 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -1.270 -0.839 -7.090 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.864 -0.352 -4.753 1.00 0.00 H new ATOM 1021 N LEU A 68 -5.576 -0.311 -8.679 1.00 0.00 N ATOM 1022 CA LEU A 68 -5.567 1.086 -8.274 1.00 0.00 C ATOM 1023 C LEU A 68 -6.860 1.768 -8.676 1.00 0.00 C ATOM 1024 O LEU A 68 -7.355 2.636 -7.964 1.00 0.00 O ATOM 1025 CB LEU A 68 -4.378 1.820 -8.893 1.00 0.00 C ATOM 1026 CG LEU A 68 -3.061 1.050 -8.857 1.00 0.00 C ATOM 1027 CD1 LEU A 68 -2.717 0.522 -10.241 1.00 0.00 C ATOM 1028 CD2 LEU A 68 -1.944 1.927 -8.317 1.00 0.00 C ATOM 0 H LEU A 68 -4.960 -0.526 -9.463 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.474 1.121 -7.189 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.616 2.057 -9.930 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.243 2.768 -8.372 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.175 0.198 -8.186 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.775 -0.025 -10.198 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.508 -0.145 -10.583 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.621 1.357 -10.935 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.013 1.360 -8.299 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.825 2.800 -8.958 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.192 2.250 -7.306 1.00 0.00 H new ATOM 1040 N GLN A 69 -7.414 1.356 -9.807 1.00 0.00 N ATOM 1041 CA GLN A 69 -8.678 1.907 -10.274 1.00 0.00 C ATOM 1042 C GLN A 69 -9.808 1.407 -9.385 1.00 0.00 C ATOM 1043 O GLN A 69 -10.892 1.988 -9.343 1.00 0.00 O ATOM 1044 CB GLN A 69 -8.930 1.522 -11.732 1.00 0.00 C ATOM 1045 CG GLN A 69 -7.800 1.918 -12.670 1.00 0.00 C ATOM 1046 CD GLN A 69 -8.128 1.638 -14.123 1.00 0.00 C ATOM 1047 OE1 GLN A 69 -8.898 0.728 -14.435 1.00 0.00 O ATOM 1048 NE2 GLN A 69 -7.539 2.409 -15.022 1.00 0.00 N ATOM 0 H GLN A 69 -7.010 0.645 -10.416 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.634 2.995 -10.219 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.081 0.444 -11.794 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -9.853 1.993 -12.069 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -7.585 2.980 -12.547 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.896 1.376 -12.394 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -6.908 3.152 -14.722 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -7.716 2.261 -16.016 1.00 0.00 H new ATOM 1057 N ASN A 70 -9.535 0.322 -8.668 1.00 0.00 N ATOM 1058 CA ASN A 70 -10.474 -0.208 -7.688 1.00 0.00 C ATOM 1059 C ASN A 70 -10.321 0.558 -6.379 1.00 0.00 C ATOM 1060 O ASN A 70 -11.294 0.802 -5.663 1.00 0.00 O ATOM 1061 CB ASN A 70 -10.223 -1.703 -7.463 1.00 0.00 C ATOM 1062 CG ASN A 70 -11.156 -2.327 -6.436 1.00 0.00 C ATOM 1063 OD1 ASN A 70 -10.756 -3.215 -5.686 1.00 0.00 O ATOM 1064 ND2 ASN A 70 -12.409 -1.896 -6.410 1.00 0.00 N ATOM 0 H ASN A 70 -8.668 -0.209 -8.748 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.491 -0.086 -8.061 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.335 -2.229 -8.411 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -9.192 -1.846 -7.140 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -13.075 -2.303 -5.753 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.707 -1.157 -7.047 1.00 0.00 H new ATOM 1071 N PHE A 71 -9.084 0.940 -6.087 1.00 0.00 N ATOM 1072 CA PHE A 71 -8.771 1.748 -4.916 1.00 0.00 C ATOM 1073 C PHE A 71 -9.411 3.128 -5.064 1.00 0.00 C ATOM 1074 O PHE A 71 -10.094 3.617 -4.165 1.00 0.00 O ATOM 1075 CB PHE A 71 -7.248 1.886 -4.777 1.00 0.00 C ATOM 1076 CG PHE A 71 -6.763 2.122 -3.372 1.00 0.00 C ATOM 1077 CD1 PHE A 71 -7.174 3.228 -2.647 1.00 0.00 C ATOM 1078 CD2 PHE A 71 -5.886 1.226 -2.779 1.00 0.00 C ATOM 1079 CE1 PHE A 71 -6.720 3.437 -1.358 1.00 0.00 C ATOM 1080 CE2 PHE A 71 -5.429 1.431 -1.490 1.00 0.00 C ATOM 1081 CZ PHE A 71 -5.847 2.537 -0.779 1.00 0.00 C ATOM 0 H PHE A 71 -8.271 0.699 -6.654 1.00 0.00 H new ATOM 0 HA PHE A 71 -9.166 1.265 -4.022 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.778 0.981 -5.162 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.913 2.711 -5.406 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.857 3.935 -3.094 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -5.556 0.358 -3.330 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -7.048 4.304 -0.804 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.746 0.726 -1.040 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.492 2.699 0.228 1.00 0.00 H new ATOM 1091 N SER A 72 -9.178 3.747 -6.212 1.00 0.00 N ATOM 1092 CA SER A 72 -9.742 5.051 -6.522 1.00 0.00 C ATOM 1093 C SER A 72 -9.945 5.184 -8.029 1.00 0.00 C ATOM 1094 O SER A 72 -9.093 4.785 -8.822 1.00 0.00 O ATOM 1095 CB SER A 72 -8.824 6.158 -6.000 1.00 0.00 C ATOM 1096 OG SER A 72 -8.651 6.055 -4.595 1.00 0.00 O ATOM 0 H SER A 72 -8.594 3.360 -6.953 1.00 0.00 H new ATOM 0 HA SER A 72 -10.711 5.148 -6.032 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.855 6.095 -6.495 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.246 7.132 -6.248 1.00 0.00 H new ATOM 0 HG SER A 72 -8.436 6.937 -4.226 1.00 0.00 H new ATOM 1102 N ALA A 73 -11.087 5.745 -8.412 1.00 0.00 N ATOM 1103 CA ALA A 73 -11.501 5.804 -9.811 1.00 0.00 C ATOM 1104 C ALA A 73 -10.575 6.672 -10.658 1.00 0.00 C ATOM 1105 O ALA A 73 -10.444 6.453 -11.861 1.00 0.00 O ATOM 1106 CB ALA A 73 -12.930 6.312 -9.908 1.00 0.00 C ATOM 0 H ALA A 73 -11.750 6.171 -7.765 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.442 4.791 -10.209 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.231 6.353 -10.955 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.593 5.638 -9.366 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.992 7.310 -9.473 1.00 0.00 H new ATOM 1112 N GLY A 74 -9.931 7.649 -10.034 1.00 0.00 N ATOM 1113 CA GLY A 74 -9.057 8.541 -10.768 1.00 0.00 C ATOM 1114 C GLY A 74 -7.598 8.159 -10.635 1.00 0.00 C ATOM 1115 O GLY A 74 -6.711 8.956 -10.942 1.00 0.00 O ATOM 0 H GLY A 74 -9.998 7.839 -9.034 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.337 8.534 -11.821 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -9.197 9.560 -10.408 1.00 0.00 H new ATOM 1119 N ALA A 75 -7.348 6.939 -10.180 1.00 0.00 N ATOM 1120 CA ALA A 75 -5.987 6.457 -9.993 1.00 0.00 C ATOM 1121 C ALA A 75 -5.413 5.918 -11.298 1.00 0.00 C ATOM 1122 O ALA A 75 -6.147 5.429 -12.161 1.00 0.00 O ATOM 1123 CB ALA A 75 -5.952 5.385 -8.916 1.00 0.00 C ATOM 0 H ALA A 75 -8.072 6.264 -9.933 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.369 7.297 -9.674 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.929 5.033 -8.786 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.315 5.801 -7.976 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.588 4.551 -9.212 1.00 0.00 H new ATOM 1129 N ARG A 76 -4.100 6.032 -11.434 1.00 0.00 N ATOM 1130 CA ARG A 76 -3.389 5.556 -12.608 1.00 0.00 C ATOM 1131 C ARG A 76 -3.120 4.059 -12.521 1.00 0.00 C ATOM 1132 O ARG A 76 -2.934 3.521 -11.431 1.00 0.00 O ATOM 1133 CB ARG A 76 -2.051 6.277 -12.738 1.00 0.00 C ATOM 1134 CG ARG A 76 -2.145 7.752 -13.088 1.00 0.00 C ATOM 1135 CD ARG A 76 -0.752 8.348 -13.212 1.00 0.00 C ATOM 1136 NE ARG A 76 0.112 7.496 -14.034 1.00 0.00 N ATOM 1137 CZ ARG A 76 1.080 6.716 -13.545 1.00 0.00 C ATOM 1138 NH1 ARG A 76 1.408 6.778 -12.258 1.00 0.00 N ATOM 1139 NH2 ARG A 76 1.731 5.887 -14.351 1.00 0.00 N ATOM 0 H ARG A 76 -3.497 6.459 -10.730 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.017 5.759 -13.476 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.509 6.177 -11.798 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.458 5.775 -13.503 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.688 7.878 -14.025 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.709 8.281 -12.320 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.816 9.342 -13.655 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.314 8.468 -12.221 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.035 7.499 -15.043 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.920 7.424 -11.638 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.148 6.180 -11.891 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.492 5.846 -15.342 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.470 5.291 -13.980 1.00 0.00 H new ATOM 1153 N ALA A 77 -3.089 3.398 -13.670 1.00 0.00 N ATOM 1154 CA ALA A 77 -2.700 1.997 -13.733 1.00 0.00 C ATOM 1155 C ALA A 77 -1.198 1.879 -13.948 1.00 0.00 C ATOM 1156 O ALA A 77 -0.668 2.357 -14.952 1.00 0.00 O ATOM 1157 CB ALA A 77 -3.441 1.275 -14.847 1.00 0.00 C ATOM 0 H ALA A 77 -3.329 3.810 -14.572 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.965 1.529 -12.785 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.132 0.230 -14.872 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.514 1.332 -14.666 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.209 1.745 -15.803 1.00 0.00 H new ATOM 1163 N LEU A 78 -0.520 1.258 -12.995 1.00 0.00 N ATOM 1164 CA LEU A 78 0.926 1.064 -13.074 1.00 0.00 C ATOM 1165 C LEU A 78 1.284 0.145 -14.236 1.00 0.00 C ATOM 1166 O LEU A 78 0.625 -0.872 -14.456 1.00 0.00 O ATOM 1167 CB LEU A 78 1.451 0.474 -11.761 1.00 0.00 C ATOM 1168 CG LEU A 78 1.840 1.488 -10.676 1.00 0.00 C ATOM 1169 CD1 LEU A 78 0.743 2.518 -10.457 1.00 0.00 C ATOM 1170 CD2 LEU A 78 2.148 0.761 -9.378 1.00 0.00 C ATOM 0 H LEU A 78 -0.948 0.876 -12.152 1.00 0.00 H new ATOM 0 HA LEU A 78 1.393 2.034 -13.243 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.689 -0.190 -11.353 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.323 -0.141 -11.985 1.00 0.00 H new ATOM 0 HG LEU A 78 2.730 2.020 -11.012 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.052 3.220 -9.682 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.561 3.059 -11.386 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.172 2.014 -10.146 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.423 1.486 -8.612 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.267 0.207 -9.054 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.975 0.068 -9.536 1.00 0.00 H new ATOM 1182 N SER A 79 2.327 0.497 -14.975 1.00 0.00 N ATOM 1183 CA SER A 79 2.759 -0.306 -16.107 1.00 0.00 C ATOM 1184 C SER A 79 4.275 -0.516 -16.105 1.00 0.00 C ATOM 1185 O SER A 79 5.036 0.374 -15.727 1.00 0.00 O ATOM 1186 CB SER A 79 2.317 0.357 -17.413 1.00 0.00 C ATOM 1187 OG SER A 79 0.926 0.638 -17.390 1.00 0.00 O ATOM 0 H SER A 79 2.888 1.333 -14.810 1.00 0.00 H new ATOM 0 HA SER A 79 2.291 -1.287 -16.022 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.877 1.280 -17.565 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.547 -0.297 -18.254 1.00 0.00 H new ATOM 0 HG SER A 79 0.664 1.063 -18.233 1.00 0.00 H new ATOM 1193 N ASP A 80 4.687 -1.712 -16.514 1.00 0.00 N ATOM 1194 CA ASP A 80 6.098 -2.083 -16.637 1.00 0.00 C ATOM 1195 C ASP A 80 6.854 -1.935 -15.320 1.00 0.00 C ATOM 1196 O ASP A 80 6.629 -2.704 -14.381 1.00 0.00 O ATOM 1197 CB ASP A 80 6.780 -1.285 -17.760 1.00 0.00 C ATOM 1198 CG ASP A 80 8.152 -1.827 -18.122 1.00 0.00 C ATOM 1199 OD1 ASP A 80 8.224 -2.853 -18.835 1.00 0.00 O ATOM 1200 OD2 ASP A 80 9.166 -1.229 -17.703 1.00 0.00 O ATOM 0 H ASP A 80 4.045 -2.461 -16.773 1.00 0.00 H new ATOM 0 HA ASP A 80 6.128 -3.140 -16.900 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.145 -1.298 -18.646 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.876 -0.244 -17.452 1.00 0.00 H new ATOM 1205 N ALA A 81 7.717 -0.937 -15.236 1.00 0.00 N ATOM 1206 CA ALA A 81 8.666 -0.849 -14.143 1.00 0.00 C ATOM 1207 C ALA A 81 7.992 -0.533 -12.818 1.00 0.00 C ATOM 1208 O ALA A 81 8.346 -1.099 -11.783 1.00 0.00 O ATOM 1209 CB ALA A 81 9.730 0.190 -14.451 1.00 0.00 C ATOM 0 H ALA A 81 7.779 -0.176 -15.913 1.00 0.00 H new ATOM 0 HA ALA A 81 9.134 -1.828 -14.043 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.435 0.245 -13.622 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.261 -0.091 -15.361 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.259 1.163 -14.592 1.00 0.00 H new ATOM 1215 N GLU A 82 7.006 0.351 -12.859 1.00 0.00 N ATOM 1216 CA GLU A 82 6.343 0.801 -11.654 1.00 0.00 C ATOM 1217 C GLU A 82 5.542 -0.335 -11.035 1.00 0.00 C ATOM 1218 O GLU A 82 5.479 -0.457 -9.813 1.00 0.00 O ATOM 1219 CB GLU A 82 5.474 2.030 -11.951 1.00 0.00 C ATOM 1220 CG GLU A 82 4.546 1.872 -13.139 1.00 0.00 C ATOM 1221 CD GLU A 82 4.288 3.182 -13.856 1.00 0.00 C ATOM 1222 OE1 GLU A 82 5.224 3.706 -14.496 1.00 0.00 O ATOM 1223 OE2 GLU A 82 3.145 3.677 -13.810 1.00 0.00 O ATOM 0 H GLU A 82 6.650 0.769 -13.719 1.00 0.00 H new ATOM 0 HA GLU A 82 7.092 1.104 -10.923 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.877 2.259 -11.068 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.126 2.886 -12.126 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.978 1.157 -13.840 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.598 1.454 -12.801 1.00 0.00 H new ATOM 1230 N THR A 83 4.967 -1.194 -11.875 1.00 0.00 N ATOM 1231 CA THR A 83 4.308 -2.385 -11.372 1.00 0.00 C ATOM 1232 C THR A 83 5.347 -3.319 -10.782 1.00 0.00 C ATOM 1233 O THR A 83 5.195 -3.786 -9.670 1.00 0.00 O ATOM 1234 CB THR A 83 3.541 -3.157 -12.461 1.00 0.00 C ATOM 1235 OG1 THR A 83 2.850 -2.253 -13.327 1.00 0.00 O ATOM 1236 CG2 THR A 83 2.543 -4.119 -11.824 1.00 0.00 C ATOM 0 H THR A 83 4.946 -1.086 -12.889 1.00 0.00 H new ATOM 0 HA THR A 83 3.588 -2.052 -10.625 1.00 0.00 H new ATOM 0 HB THR A 83 4.263 -3.725 -13.048 1.00 0.00 H new ATOM 0 HG1 THR A 83 1.892 -2.274 -13.124 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.008 -4.658 -12.606 1.00 0.00 H new ATOM 0 HG22 THR A 83 3.075 -4.830 -11.192 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.832 -3.557 -11.219 1.00 0.00 H new ATOM 1244 N LYS A 84 6.413 -3.551 -11.538 1.00 0.00 N ATOM 1245 CA LYS A 84 7.459 -4.494 -11.157 1.00 0.00 C ATOM 1246 C LYS A 84 8.040 -4.193 -9.775 1.00 0.00 C ATOM 1247 O LYS A 84 7.970 -5.028 -8.872 1.00 0.00 O ATOM 1248 CB LYS A 84 8.566 -4.478 -12.213 1.00 0.00 C ATOM 1249 CG LYS A 84 9.849 -5.168 -11.784 1.00 0.00 C ATOM 1250 CD LYS A 84 10.855 -5.220 -12.923 1.00 0.00 C ATOM 1251 CE LYS A 84 12.177 -5.812 -12.472 1.00 0.00 C ATOM 1252 NZ LYS A 84 12.845 -4.962 -11.451 1.00 0.00 N ATOM 0 H LYS A 84 6.577 -3.091 -12.433 1.00 0.00 H new ATOM 0 HA LYS A 84 7.010 -5.486 -11.102 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.195 -4.957 -13.119 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.792 -3.443 -12.470 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.283 -4.638 -10.936 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.625 -6.180 -11.447 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.449 -5.815 -13.741 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.019 -4.215 -13.311 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.008 -6.807 -12.061 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.835 -5.930 -13.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.843 -5.241 -11.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.787 -3.964 -11.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.372 -5.086 -10.533 1.00 0.00 H new ATOM 1266 N VAL A 85 8.600 -3.005 -9.609 1.00 0.00 N ATOM 1267 CA VAL A 85 9.288 -2.658 -8.371 1.00 0.00 C ATOM 1268 C VAL A 85 8.313 -2.560 -7.194 1.00 0.00 C ATOM 1269 O VAL A 85 8.623 -3.002 -6.085 1.00 0.00 O ATOM 1270 CB VAL A 85 10.085 -1.344 -8.523 1.00 0.00 C ATOM 1271 CG1 VAL A 85 9.167 -0.194 -8.887 1.00 0.00 C ATOM 1272 CG2 VAL A 85 10.874 -1.031 -7.260 1.00 0.00 C ATOM 0 H VAL A 85 8.593 -2.266 -10.312 1.00 0.00 H new ATOM 0 HA VAL A 85 9.992 -3.463 -8.158 1.00 0.00 H new ATOM 0 HB VAL A 85 10.798 -1.478 -9.337 1.00 0.00 H new ATOM 0 HG11 VAL A 85 9.752 0.720 -8.988 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.668 -0.412 -9.831 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.421 -0.062 -8.104 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.425 -0.101 -7.396 1.00 0.00 H new ATOM 0 HG22 VAL A 85 10.188 -0.927 -6.419 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.575 -1.841 -7.058 1.00 0.00 H new ATOM 1282 N PHE A 86 7.126 -2.013 -7.439 1.00 0.00 N ATOM 1283 CA PHE A 86 6.123 -1.874 -6.391 1.00 0.00 C ATOM 1284 C PHE A 86 5.541 -3.243 -6.026 1.00 0.00 C ATOM 1285 O PHE A 86 5.195 -3.494 -4.878 1.00 0.00 O ATOM 1286 CB PHE A 86 5.037 -0.889 -6.851 1.00 0.00 C ATOM 1287 CG PHE A 86 3.813 -0.825 -5.973 1.00 0.00 C ATOM 1288 CD1 PHE A 86 2.724 -1.652 -6.205 1.00 0.00 C ATOM 1289 CD2 PHE A 86 3.752 0.075 -4.923 1.00 0.00 C ATOM 1290 CE1 PHE A 86 1.600 -1.582 -5.402 1.00 0.00 C ATOM 1291 CE2 PHE A 86 2.631 0.149 -4.117 1.00 0.00 C ATOM 1292 CZ PHE A 86 1.555 -0.680 -4.357 1.00 0.00 C ATOM 0 H PHE A 86 6.837 -1.660 -8.351 1.00 0.00 H new ATOM 0 HA PHE A 86 6.584 -1.471 -5.489 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.475 0.108 -6.910 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.727 -1.161 -7.860 1.00 0.00 H new ATOM 0 HD1 PHE A 86 2.754 -2.358 -7.022 1.00 0.00 H new ATOM 0 HD2 PHE A 86 4.591 0.728 -4.731 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.759 -2.232 -5.592 1.00 0.00 H new ATOM 0 HE2 PHE A 86 2.598 0.855 -3.300 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.678 -0.624 -3.729 1.00 0.00 H new ATOM 1302 N LEU A 87 5.472 -4.129 -7.009 1.00 0.00 N ATOM 1303 CA LEU A 87 5.000 -5.497 -6.807 1.00 0.00 C ATOM 1304 C LEU A 87 6.006 -6.267 -5.959 1.00 0.00 C ATOM 1305 O LEU A 87 5.651 -6.926 -4.979 1.00 0.00 O ATOM 1306 CB LEU A 87 4.841 -6.184 -8.171 1.00 0.00 C ATOM 1307 CG LEU A 87 4.053 -7.491 -8.195 1.00 0.00 C ATOM 1308 CD1 LEU A 87 2.561 -7.221 -8.104 1.00 0.00 C ATOM 1309 CD2 LEU A 87 4.373 -8.264 -9.462 1.00 0.00 C ATOM 0 H LEU A 87 5.741 -3.922 -7.971 1.00 0.00 H new ATOM 0 HA LEU A 87 4.039 -5.479 -6.293 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.357 -5.483 -8.850 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.836 -6.380 -8.571 1.00 0.00 H new ATOM 0 HG LEU A 87 4.344 -8.089 -7.331 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.018 -8.166 -8.123 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.342 -6.695 -7.174 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.250 -6.607 -8.949 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.807 -9.196 -9.473 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.102 -7.665 -10.332 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.440 -8.487 -9.493 1.00 0.00 H new ATOM 1321 N LYS A 88 7.272 -6.143 -6.338 1.00 0.00 N ATOM 1322 CA LYS A 88 8.364 -6.847 -5.677 1.00 0.00 C ATOM 1323 C LYS A 88 8.607 -6.286 -4.278 1.00 0.00 C ATOM 1324 O LYS A 88 9.259 -6.920 -3.447 1.00 0.00 O ATOM 1325 CB LYS A 88 9.629 -6.725 -6.523 1.00 0.00 C ATOM 1326 CG LYS A 88 10.711 -7.731 -6.176 1.00 0.00 C ATOM 1327 CD LYS A 88 10.295 -9.135 -6.575 1.00 0.00 C ATOM 1328 CE LYS A 88 11.421 -10.135 -6.369 1.00 0.00 C ATOM 1329 NZ LYS A 88 12.605 -9.823 -7.211 1.00 0.00 N ATOM 0 H LYS A 88 7.571 -5.551 -7.113 1.00 0.00 H new ATOM 0 HA LYS A 88 8.094 -7.898 -5.574 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.363 -6.843 -7.573 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.034 -5.719 -6.408 1.00 0.00 H new ATOM 0 HG2 LYS A 88 11.638 -7.464 -6.684 1.00 0.00 H new ATOM 0 HG3 LYS A 88 10.914 -7.698 -5.106 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.427 -9.438 -5.989 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.990 -9.141 -7.622 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.714 -10.139 -5.319 1.00 0.00 H new ATOM 0 HE3 LYS A 88 11.063 -11.137 -6.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 13.222 -10.658 -7.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 12.292 -9.561 -8.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 13.131 -9.031 -6.790 1.00 0.00 H new ATOM 1343 N ALA A 89 8.089 -5.086 -4.031 1.00 0.00 N ATOM 1344 CA ALA A 89 8.161 -4.474 -2.709 1.00 0.00 C ATOM 1345 C ALA A 89 7.494 -5.368 -1.680 1.00 0.00 C ATOM 1346 O ALA A 89 7.861 -5.377 -0.503 1.00 0.00 O ATOM 1347 CB ALA A 89 7.484 -3.116 -2.717 1.00 0.00 C ATOM 0 H ALA A 89 7.614 -4.517 -4.732 1.00 0.00 H new ATOM 0 HA ALA A 89 9.211 -4.346 -2.447 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.546 -2.673 -1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.982 -2.466 -3.436 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.437 -3.233 -2.997 1.00 0.00 H new ATOM 1353 N GLY A 90 6.516 -6.122 -2.146 1.00 0.00 N ATOM 1354 CA GLY A 90 5.793 -7.019 -1.279 1.00 0.00 C ATOM 1355 C GLY A 90 6.161 -8.449 -1.562 1.00 0.00 C ATOM 1356 O GLY A 90 6.558 -9.188 -0.660 1.00 0.00 O ATOM 0 H GLY A 90 6.208 -6.128 -3.118 1.00 0.00 H new ATOM 0 HA2 GLY A 90 6.013 -6.782 -0.238 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.721 -6.881 -1.418 1.00 0.00 H new ATOM 1360 N ASP A 91 6.044 -8.831 -2.826 1.00 0.00 N ATOM 1361 CA ASP A 91 6.427 -10.162 -3.260 1.00 0.00 C ATOM 1362 C ASP A 91 7.930 -10.339 -3.109 1.00 0.00 C ATOM 1363 O ASP A 91 8.709 -9.907 -3.955 1.00 0.00 O ATOM 1364 CB ASP A 91 6.021 -10.387 -4.708 1.00 0.00 C ATOM 1365 CG ASP A 91 6.365 -11.779 -5.182 1.00 0.00 C ATOM 1366 OD1 ASP A 91 6.172 -12.750 -4.403 1.00 0.00 O ATOM 1367 OD2 ASP A 91 6.820 -11.919 -6.328 1.00 0.00 O ATOM 0 H ASP A 91 5.685 -8.233 -3.570 1.00 0.00 H new ATOM 0 HA ASP A 91 5.913 -10.895 -2.638 1.00 0.00 H new ATOM 0 HB2 ASP A 91 4.949 -10.223 -4.814 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.520 -9.654 -5.342 1.00 0.00 H new ATOM 1372 N SER A 92 8.330 -10.982 -2.032 1.00 0.00 N ATOM 1373 CA SER A 92 9.733 -11.055 -1.671 1.00 0.00 C ATOM 1374 C SER A 92 10.342 -12.358 -2.156 1.00 0.00 C ATOM 1375 O SER A 92 11.563 -12.494 -2.242 1.00 0.00 O ATOM 1376 CB SER A 92 9.878 -10.930 -0.155 1.00 0.00 C ATOM 1377 OG SER A 92 9.141 -9.815 0.332 1.00 0.00 O ATOM 0 H SER A 92 7.702 -11.464 -1.388 1.00 0.00 H new ATOM 0 HA SER A 92 10.266 -10.234 -2.150 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.525 -11.843 0.325 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.930 -10.818 0.106 1.00 0.00 H new ATOM 0 HG SER A 92 8.224 -9.854 -0.010 1.00 0.00 H new ATOM 1383 N ASP A 93 9.483 -13.310 -2.485 1.00 0.00 N ATOM 1384 CA ASP A 93 9.938 -14.638 -2.879 1.00 0.00 C ATOM 1385 C ASP A 93 9.864 -14.842 -4.393 1.00 0.00 C ATOM 1386 O ASP A 93 10.209 -15.907 -4.900 1.00 0.00 O ATOM 1387 CB ASP A 93 9.130 -15.720 -2.154 1.00 0.00 C ATOM 1388 CG ASP A 93 7.690 -15.798 -2.611 1.00 0.00 C ATOM 1389 OD1 ASP A 93 7.019 -14.742 -2.707 1.00 0.00 O ATOM 1390 OD2 ASP A 93 7.219 -16.916 -2.880 1.00 0.00 O ATOM 0 H ASP A 93 8.470 -13.191 -2.488 1.00 0.00 H new ATOM 0 HA ASP A 93 10.985 -14.722 -2.588 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.607 -16.687 -2.312 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.154 -15.524 -1.082 1.00 0.00 H new ATOM 1395 N GLY A 94 9.403 -13.821 -5.110 1.00 0.00 N ATOM 1396 CA GLY A 94 9.487 -13.836 -6.562 1.00 0.00 C ATOM 1397 C GLY A 94 8.404 -14.657 -7.246 1.00 0.00 C ATOM 1398 O GLY A 94 8.707 -15.511 -8.079 1.00 0.00 O ATOM 0 H GLY A 94 8.974 -12.985 -4.714 1.00 0.00 H new ATOM 0 HA2 GLY A 94 9.434 -12.810 -6.927 1.00 0.00 H new ATOM 0 HA3 GLY A 94 10.461 -14.228 -6.853 1.00 0.00 H new ATOM 1402 N ASP A 95 7.146 -14.388 -6.926 1.00 0.00 N ATOM 1403 CA ASP A 95 6.031 -15.067 -7.583 1.00 0.00 C ATOM 1404 C ASP A 95 5.649 -14.335 -8.859 1.00 0.00 C ATOM 1405 O ASP A 95 5.024 -14.903 -9.755 1.00 0.00 O ATOM 1406 CB ASP A 95 4.784 -15.121 -6.692 1.00 0.00 C ATOM 1407 CG ASP A 95 4.982 -15.852 -5.389 1.00 0.00 C ATOM 1408 OD1 ASP A 95 5.130 -17.090 -5.411 1.00 0.00 O ATOM 1409 OD2 ASP A 95 4.950 -15.186 -4.326 1.00 0.00 O ATOM 0 H ASP A 95 6.869 -13.707 -6.218 1.00 0.00 H new ATOM 0 HA ASP A 95 6.367 -16.082 -7.796 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.461 -14.102 -6.478 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.977 -15.602 -7.245 1.00 0.00 H new ATOM 1414 N GLY A 96 6.022 -13.062 -8.928 1.00 0.00 N ATOM 1415 CA GLY A 96 5.604 -12.223 -10.035 1.00 0.00 C ATOM 1416 C GLY A 96 4.185 -11.740 -9.835 1.00 0.00 C ATOM 1417 O GLY A 96 3.476 -11.423 -10.791 1.00 0.00 O ATOM 0 H GLY A 96 6.608 -12.595 -8.235 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.275 -11.369 -10.123 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.675 -12.782 -10.968 1.00 0.00 H new ATOM 1421 N LYS A 97 3.781 -11.700 -8.576 1.00 0.00 N ATOM 1422 CA LYS A 97 2.429 -11.335 -8.184 1.00 0.00 C ATOM 1423 C LYS A 97 2.452 -10.884 -6.739 1.00 0.00 C ATOM 1424 O LYS A 97 3.483 -10.972 -6.083 1.00 0.00 O ATOM 1425 CB LYS A 97 1.500 -12.538 -8.327 1.00 0.00 C ATOM 1426 CG LYS A 97 1.813 -13.662 -7.353 1.00 0.00 C ATOM 1427 CD LYS A 97 0.748 -14.745 -7.384 1.00 0.00 C ATOM 1428 CE LYS A 97 0.733 -15.473 -8.718 1.00 0.00 C ATOM 1429 NZ LYS A 97 -0.391 -16.437 -8.810 1.00 0.00 N ATOM 0 H LYS A 97 4.389 -11.923 -7.788 1.00 0.00 H new ATOM 0 HA LYS A 97 2.065 -10.532 -8.825 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.471 -12.213 -8.176 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.567 -12.921 -9.345 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.782 -14.097 -7.599 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.892 -13.258 -6.344 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.930 -15.459 -6.581 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.230 -14.300 -7.200 1.00 0.00 H new ATOM 0 HE2 LYS A 97 0.655 -14.747 -9.527 1.00 0.00 H new ATOM 0 HE3 LYS A 97 1.677 -16.002 -8.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.406 -16.863 -9.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.267 -17.184 -8.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.289 -15.941 -8.639 1.00 0.00 H new ATOM 1443 N ILE A 98 1.325 -10.430 -6.233 1.00 0.00 N ATOM 1444 CA ILE A 98 1.250 -10.021 -4.848 1.00 0.00 C ATOM 1445 C ILE A 98 0.597 -11.093 -4.001 1.00 0.00 C ATOM 1446 O ILE A 98 -0.576 -11.424 -4.181 1.00 0.00 O ATOM 1447 CB ILE A 98 0.496 -8.676 -4.668 1.00 0.00 C ATOM 1448 CG1 ILE A 98 1.421 -7.500 -4.960 1.00 0.00 C ATOM 1449 CG2 ILE A 98 -0.086 -8.536 -3.268 1.00 0.00 C ATOM 1450 CD1 ILE A 98 2.638 -7.440 -4.063 1.00 0.00 C ATOM 0 H ILE A 98 0.454 -10.335 -6.756 1.00 0.00 H new ATOM 0 HA ILE A 98 2.277 -9.873 -4.513 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.330 -8.672 -5.379 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.749 -7.557 -5.998 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.858 -6.573 -4.855 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.605 -7.581 -3.184 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.788 -9.349 -3.083 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.718 -8.578 -2.534 1.00 0.00 H new ATOM 0 HD11 ILE A 98 3.246 -6.577 -4.332 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.320 -7.350 -3.024 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.225 -8.350 -4.185 1.00 0.00 H new ATOM 1462 N GLY A 99 1.374 -11.671 -3.106 1.00 0.00 N ATOM 1463 CA GLY A 99 0.774 -12.397 -2.025 1.00 0.00 C ATOM 1464 C GLY A 99 0.137 -11.400 -1.093 1.00 0.00 C ATOM 1465 O GLY A 99 0.739 -10.367 -0.804 1.00 0.00 O ATOM 0 H GLY A 99 2.394 -11.650 -3.110 1.00 0.00 H new ATOM 0 HA2 GLY A 99 0.028 -13.096 -2.403 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.525 -12.986 -1.498 1.00 0.00 H new ATOM 1469 N VAL A 100 -1.065 -11.675 -0.638 1.00 0.00 N ATOM 1470 CA VAL A 100 -1.803 -10.712 0.163 1.00 0.00 C ATOM 1471 C VAL A 100 -1.025 -10.321 1.419 1.00 0.00 C ATOM 1472 O VAL A 100 -0.924 -9.138 1.762 1.00 0.00 O ATOM 1473 CB VAL A 100 -3.195 -11.264 0.512 1.00 0.00 C ATOM 1474 CG1 VAL A 100 -3.812 -10.531 1.688 1.00 0.00 C ATOM 1475 CG2 VAL A 100 -4.103 -11.185 -0.710 1.00 0.00 C ATOM 0 H VAL A 100 -1.555 -12.554 -0.806 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.935 -9.805 -0.427 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.082 -12.307 0.808 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.795 -10.951 1.903 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.171 -10.641 2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.914 -9.474 1.444 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.088 -11.577 -0.457 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.197 -10.146 -1.027 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -3.675 -11.775 -1.520 1.00 0.00 H new ATOM 1485 N ASP A 101 -0.427 -11.304 2.071 1.00 0.00 N ATOM 1486 CA ASP A 101 0.372 -11.039 3.259 1.00 0.00 C ATOM 1487 C ASP A 101 1.676 -10.346 2.870 1.00 0.00 C ATOM 1488 O ASP A 101 2.214 -9.532 3.627 1.00 0.00 O ATOM 1489 CB ASP A 101 0.655 -12.336 4.013 1.00 0.00 C ATOM 1490 CG ASP A 101 1.281 -12.085 5.372 1.00 0.00 C ATOM 1491 OD1 ASP A 101 0.620 -11.454 6.225 1.00 0.00 O ATOM 1492 OD2 ASP A 101 2.434 -12.509 5.595 1.00 0.00 O ATOM 0 H ASP A 101 -0.478 -12.286 1.802 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.189 -10.378 3.919 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.275 -12.890 4.140 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.321 -12.962 3.418 1.00 0.00 H new ATOM 1497 N GLU A 102 2.161 -10.652 1.666 1.00 0.00 N ATOM 1498 CA GLU A 102 3.364 -10.020 1.137 1.00 0.00 C ATOM 1499 C GLU A 102 3.127 -8.526 0.913 1.00 0.00 C ATOM 1500 O GLU A 102 4.024 -7.711 1.112 1.00 0.00 O ATOM 1501 CB GLU A 102 3.813 -10.680 -0.178 1.00 0.00 C ATOM 1502 CG GLU A 102 4.201 -12.145 -0.039 1.00 0.00 C ATOM 1503 CD GLU A 102 5.011 -12.657 -1.221 1.00 0.00 C ATOM 1504 OE1 GLU A 102 6.251 -12.562 -1.187 1.00 0.00 O ATOM 1505 OE2 GLU A 102 4.426 -13.181 -2.196 1.00 0.00 O ATOM 0 H GLU A 102 1.736 -11.336 1.040 1.00 0.00 H new ATOM 0 HA GLU A 102 4.157 -10.152 1.873 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.007 -10.597 -0.907 1.00 0.00 H new ATOM 0 HB3 GLU A 102 4.663 -10.127 -0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.779 -12.278 0.876 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.298 -12.747 0.064 1.00 0.00 H new ATOM 1512 N PHE A 103 1.910 -8.172 0.507 1.00 0.00 N ATOM 1513 CA PHE A 103 1.551 -6.771 0.309 1.00 0.00 C ATOM 1514 C PHE A 103 1.599 -6.027 1.636 1.00 0.00 C ATOM 1515 O PHE A 103 2.103 -4.906 1.711 1.00 0.00 O ATOM 1516 CB PHE A 103 0.158 -6.642 -0.311 1.00 0.00 C ATOM 1517 CG PHE A 103 -0.177 -5.240 -0.740 1.00 0.00 C ATOM 1518 CD1 PHE A 103 0.259 -4.756 -1.962 1.00 0.00 C ATOM 1519 CD2 PHE A 103 -0.924 -4.405 0.075 1.00 0.00 C ATOM 1520 CE1 PHE A 103 -0.042 -3.468 -2.363 1.00 0.00 C ATOM 1521 CE2 PHE A 103 -1.230 -3.115 -0.321 1.00 0.00 C ATOM 1522 CZ PHE A 103 -0.787 -2.647 -1.541 1.00 0.00 C ATOM 0 H PHE A 103 1.159 -8.833 0.310 1.00 0.00 H new ATOM 0 HA PHE A 103 2.273 -6.330 -0.378 1.00 0.00 H new ATOM 0 HB2 PHE A 103 0.090 -7.304 -1.174 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.586 -6.981 0.410 1.00 0.00 H new ATOM 0 HD1 PHE A 103 0.842 -5.393 -2.610 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.272 -4.766 1.032 1.00 0.00 H new ATOM 0 HE1 PHE A 103 0.305 -3.104 -3.319 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.815 -2.476 0.324 1.00 0.00 H new ATOM 0 HZ PHE A 103 -1.023 -1.640 -1.852 1.00 0.00 H new ATOM 1532 N GLY A 104 1.084 -6.664 2.683 1.00 0.00 N ATOM 1533 CA GLY A 104 1.158 -6.087 4.014 1.00 0.00 C ATOM 1534 C GLY A 104 2.585 -5.764 4.402 1.00 0.00 C ATOM 1535 O GLY A 104 2.858 -4.737 5.025 1.00 0.00 O ATOM 0 H GLY A 104 0.617 -7.569 2.634 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.556 -5.179 4.052 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.732 -6.783 4.737 1.00 0.00 H new ATOM 1539 N ALA A 105 3.501 -6.630 3.991 1.00 0.00 N ATOM 1540 CA ALA A 105 4.914 -6.444 4.270 1.00 0.00 C ATOM 1541 C ALA A 105 5.461 -5.177 3.610 1.00 0.00 C ATOM 1542 O ALA A 105 6.377 -4.553 4.138 1.00 0.00 O ATOM 1543 CB ALA A 105 5.703 -7.664 3.816 1.00 0.00 C ATOM 0 H ALA A 105 3.286 -7.474 3.459 1.00 0.00 H new ATOM 0 HA ALA A 105 5.027 -6.326 5.348 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.761 -7.513 4.030 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.347 -8.546 4.348 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.567 -7.807 2.744 1.00 0.00 H new ATOM 1549 N MET A 106 4.893 -4.785 2.467 1.00 0.00 N ATOM 1550 CA MET A 106 5.380 -3.604 1.753 1.00 0.00 C ATOM 1551 C MET A 106 4.766 -2.329 2.325 1.00 0.00 C ATOM 1552 O MET A 106 5.314 -1.241 2.161 1.00 0.00 O ATOM 1553 CB MET A 106 5.086 -3.686 0.245 1.00 0.00 C ATOM 1554 CG MET A 106 3.751 -3.080 -0.165 1.00 0.00 C ATOM 1555 SD MET A 106 3.612 -2.803 -1.938 1.00 0.00 S ATOM 1556 CE MET A 106 3.590 -4.483 -2.542 1.00 0.00 C ATOM 0 H MET A 106 4.108 -5.260 2.022 1.00 0.00 H new ATOM 0 HA MET A 106 6.461 -3.575 1.890 1.00 0.00 H new ATOM 0 HB2 MET A 106 5.884 -3.179 -0.297 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.107 -4.732 -0.061 1.00 0.00 H new ATOM 0 HG2 MET A 106 2.946 -3.740 0.157 1.00 0.00 H new ATOM 0 HG3 MET A 106 3.614 -2.132 0.356 1.00 0.00 H new ATOM 0 HE1 MET A 106 2.842 -4.577 -3.329 1.00 0.00 H new ATOM 0 HE2 MET A 106 4.571 -4.739 -2.942 1.00 0.00 H new ATOM 0 HE3 MET A 106 3.343 -5.160 -1.724 1.00 0.00 H new ATOM 1566 N ILE A 107 3.624 -2.466 2.988 1.00 0.00 N ATOM 1567 CA ILE A 107 2.970 -1.322 3.612 1.00 0.00 C ATOM 1568 C ILE A 107 3.721 -0.952 4.876 1.00 0.00 C ATOM 1569 O ILE A 107 3.779 0.205 5.292 1.00 0.00 O ATOM 1570 CB ILE A 107 1.501 -1.630 3.979 1.00 0.00 C ATOM 1571 CG1 ILE A 107 0.751 -2.210 2.783 1.00 0.00 C ATOM 1572 CG2 ILE A 107 0.810 -0.371 4.480 1.00 0.00 C ATOM 1573 CD1 ILE A 107 -0.645 -2.687 3.124 1.00 0.00 C ATOM 0 H ILE A 107 3.134 -3.352 3.107 1.00 0.00 H new ATOM 0 HA ILE A 107 2.978 -0.499 2.897 1.00 0.00 H new ATOM 0 HB ILE A 107 1.495 -2.375 4.775 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.688 -1.453 2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 107 1.322 -3.043 2.374 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.224 -0.601 4.735 1.00 0.00 H new ATOM 0 HG22 ILE A 107 1.328 0.001 5.364 1.00 0.00 H new ATOM 0 HG23 ILE A 107 0.831 0.390 3.700 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.122 -3.087 2.229 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.588 -3.466 3.884 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.232 -1.851 3.505 1.00 0.00 H new ATOM 1585 N LYS A 108 4.304 -1.967 5.471 1.00 0.00 N ATOM 1586 CA LYS A 108 5.023 -1.829 6.717 1.00 0.00 C ATOM 1587 C LYS A 108 6.520 -1.620 6.467 1.00 0.00 C ATOM 1588 O LYS A 108 7.249 -1.136 7.341 1.00 0.00 O ATOM 1589 CB LYS A 108 4.746 -3.075 7.553 1.00 0.00 C ATOM 1590 CG LYS A 108 5.594 -3.214 8.805 1.00 0.00 C ATOM 1591 CD LYS A 108 6.450 -4.474 8.760 1.00 0.00 C ATOM 1592 CE LYS A 108 5.597 -5.734 8.708 1.00 0.00 C ATOM 1593 NZ LYS A 108 6.423 -6.961 8.562 1.00 0.00 N ATOM 0 H LYS A 108 4.293 -2.918 5.102 1.00 0.00 H new ATOM 0 HA LYS A 108 4.684 -0.947 7.260 1.00 0.00 H new ATOM 0 HB2 LYS A 108 3.695 -3.072 7.843 1.00 0.00 H new ATOM 0 HB3 LYS A 108 4.902 -3.954 6.928 1.00 0.00 H new ATOM 0 HG2 LYS A 108 6.236 -2.340 8.910 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.948 -3.242 9.682 1.00 0.00 H new ATOM 0 HD2 LYS A 108 7.102 -4.440 7.887 1.00 0.00 H new ATOM 0 HD3 LYS A 108 7.095 -4.507 9.638 1.00 0.00 H new ATOM 0 HE2 LYS A 108 5.000 -5.805 9.617 1.00 0.00 H new ATOM 0 HE3 LYS A 108 4.900 -5.665 7.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 5.803 -7.795 8.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 6.974 -6.906 7.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 7.071 -7.042 9.371 1.00 0.00 H new ATOM 1607 N ALA A 109 6.966 -1.951 5.265 1.00 0.00 N ATOM 1608 CA ALA A 109 8.364 -1.794 4.897 1.00 0.00 C ATOM 1609 C ALA A 109 8.489 -1.137 3.529 1.00 0.00 C ATOM 1610 O ALA A 109 8.256 -1.822 2.513 1.00 0.00 O ATOM 1611 CB ALA A 109 9.076 -3.139 4.912 1.00 0.00 C ATOM 1612 OXT ALA A 109 8.828 0.062 3.473 1.00 0.00 O ATOM 0 H ALA A 109 6.377 -2.332 4.525 1.00 0.00 H new ATOM 0 HA ALA A 109 8.840 -1.146 5.632 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.121 -3.001 4.634 1.00 0.00 H new ATOM 0 HB2 ALA A 109 9.020 -3.569 5.912 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.597 -3.812 4.201 1.00 0.00 H new