USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 699 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 83 CYS SG : rot 170:sc= -0.641 USER MOD Set 1.2: A 86 HIS : no HE2:sc= -0.3 K(o=-0.94,f=-2.6!) USER MOD Set 2.1: A 78 THR OG1 : rot 33:sc= 1.3 USER MOD Set 2.2: A 80 THR OG1 : rot 94:sc= 1.18 USER MOD Set 2.3: A 94 LYS NZ :NH3+ -175:sc= 0.763 (180deg=0.627) USER MOD Set 3.1: A 55 LYS NZ :NH3+ 147:sc= 2.73 (180deg=-0.622) USER MOD Set 3.2: A 58 HIS : no HE2:sc= 2.03 K(o=4.8,f=-11!) USER MOD Set 4.1: A 34 ASN : amide:sc= 0.483 K(o=2.3,f=1.6) USER MOD Set 4.2: A 35 LYS NZ :NH3+ 176:sc= 1.85 (180deg=1.85) USER MOD Set 5.1: A 33 ASN : amide:sc= -9.3! C(o=-15!,f=-17!) USER MOD Set 5.2: A 37 SER OG : rot 180:sc= -0.0548 USER MOD Set 5.3: A 39 HIS : no HE2:sc= -6.1! C(o=-15!,f=-18!) USER MOD Set 6.1: A 9 SER OG : rot 61:sc= 1.99 USER MOD Set 6.2: A 11 SER OG : rot -72:sc= 0.764 USER MOD Set 7.1: A 2 ASN : amide:sc= 0.0916 K(o=3.9,f=-1.7) USER MOD Set 7.2: A 4 THR OG1 : rot 180:sc= 0.786 USER MOD Set 7.3: A 30 LYS NZ :NH3+ -112:sc= 3.01 (180deg=0.606) USER MOD Single : A 1 ALA N :NH3+ 161:sc= 1.02 (180deg=0.642) USER MOD Single : A 6 LYS NZ :NH3+ -147:sc= 2.29 (180deg=1.37) USER MOD Single : A 7 MET CE :methyl -174:sc= -0.169 (180deg=-0.209) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0961 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -150:sc= 0.621 (180deg=-1.56) USER MOD Single : A 40 ASN : amide:sc= 1.18 K(o=1.2,f=-7.7!) USER MOD Single : A 52 THR OG1 : rot -18:sc= 0.849 USER MOD Single : A 57 SER OG : rot 180:sc= 0.476 USER MOD Single : A 59 LYS NZ :NH3+ 169:sc= 1.24 (180deg=1.05) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 71 SER OG : rot 123:sc= 2.19 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 74 THR OG1 : rot -40:sc= 1.2 USER MOD Single : A 79 TYR OH : rot -86:sc= -0.876 USER MOD Single : A 81 TYR OH : rot -48:sc= 1.22 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl 172:sc= 0 (180deg=-0.0639) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.356 -1.370 -14.837 1.00 0.00 N ATOM 2 CA ALA A 1 3.620 -2.700 -15.419 1.00 0.00 C ATOM 3 C ALA A 1 4.018 -3.688 -14.315 1.00 0.00 C ATOM 4 O ALA A 1 5.204 -3.768 -14.011 1.00 0.00 O ATOM 5 CB ALA A 1 4.658 -2.609 -16.547 1.00 0.00 C ATOM 0 H1 ALA A 1 3.405 -0.648 -15.584 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.409 -1.361 -14.408 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.068 -1.163 -14.108 1.00 0.00 H new ATOM 0 HA ALA A 1 2.707 -3.082 -15.877 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.835 -3.602 -16.959 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.285 -1.951 -17.332 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.591 -2.209 -16.151 1.00 0.00 H new ATOM 13 N ASN A 2 3.043 -4.405 -13.711 1.00 0.00 N ATOM 14 CA ASN A 2 3.231 -5.376 -12.617 1.00 0.00 C ATOM 15 C ASN A 2 4.112 -4.754 -11.516 1.00 0.00 C ATOM 16 O ASN A 2 5.292 -5.078 -11.359 1.00 0.00 O ATOM 17 CB ASN A 2 3.801 -6.687 -13.250 1.00 0.00 C ATOM 18 CG ASN A 2 4.221 -7.849 -12.335 1.00 0.00 C ATOM 19 OD1 ASN A 2 5.379 -8.019 -11.962 1.00 0.00 O ATOM 20 ND2 ASN A 2 3.328 -8.766 -12.031 1.00 0.00 N ATOM 0 H ASN A 2 2.065 -4.317 -13.986 1.00 0.00 H new ATOM 0 HA ASN A 2 2.297 -5.634 -12.118 1.00 0.00 H new ATOM 0 HB2 ASN A 2 3.049 -7.070 -13.940 1.00 0.00 H new ATOM 0 HB3 ASN A 2 4.670 -6.410 -13.847 1.00 0.00 H new ATOM 0 HD21 ASN A 2 3.605 -9.591 -11.499 1.00 0.00 H new ATOM 0 HD22 ASN A 2 2.359 -8.652 -12.327 1.00 0.00 H new ATOM 27 N ALA A 3 3.545 -3.807 -10.752 1.00 0.00 N ATOM 28 CA ALA A 3 4.284 -3.113 -9.723 1.00 0.00 C ATOM 29 C ALA A 3 4.513 -3.975 -8.479 1.00 0.00 C ATOM 30 O ALA A 3 3.872 -4.992 -8.221 1.00 0.00 O ATOM 31 CB ALA A 3 3.574 -1.791 -9.415 1.00 0.00 C ATOM 0 H ALA A 3 2.572 -3.514 -10.840 1.00 0.00 H new ATOM 0 HA ALA A 3 5.287 -2.894 -10.089 1.00 0.00 H new ATOM 0 HB1 ALA A 3 4.122 -1.256 -8.639 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.534 -1.181 -10.317 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.560 -1.994 -9.069 1.00 0.00 H new ATOM 37 N THR A 4 5.457 -3.517 -7.671 1.00 0.00 N ATOM 38 CA THR A 4 5.970 -4.080 -6.436 1.00 0.00 C ATOM 39 C THR A 4 6.247 -2.857 -5.581 1.00 0.00 C ATOM 40 O THR A 4 6.559 -1.788 -6.110 1.00 0.00 O ATOM 41 CB THR A 4 7.272 -4.867 -6.702 1.00 0.00 C ATOM 42 OG1 THR A 4 7.075 -5.909 -7.636 1.00 0.00 O ATOM 43 CG2 THR A 4 7.817 -5.537 -5.436 1.00 0.00 C ATOM 0 H THR A 4 5.934 -2.643 -7.892 1.00 0.00 H new ATOM 0 HA THR A 4 5.281 -4.781 -5.965 1.00 0.00 H new ATOM 0 HB THR A 4 7.973 -4.123 -7.079 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.920 -6.383 -7.780 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.733 -6.077 -5.676 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.031 -4.776 -4.685 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.076 -6.234 -5.046 1.00 0.00 H new ATOM 51 N VAL A 5 6.111 -2.977 -4.265 1.00 0.00 N ATOM 52 CA VAL A 5 6.396 -1.876 -3.352 1.00 0.00 C ATOM 53 C VAL A 5 6.772 -2.435 -1.978 1.00 0.00 C ATOM 54 O VAL A 5 6.434 -3.561 -1.611 1.00 0.00 O ATOM 55 CB VAL A 5 5.226 -0.839 -3.373 1.00 0.00 C ATOM 56 CG1 VAL A 5 3.916 -1.264 -4.069 1.00 0.00 C ATOM 57 CG2 VAL A 5 4.977 -0.103 -2.055 1.00 0.00 C ATOM 0 H VAL A 5 5.803 -3.833 -3.804 1.00 0.00 H new ATOM 0 HA VAL A 5 7.267 -1.306 -3.675 1.00 0.00 H new ATOM 0 HB VAL A 5 5.650 -0.102 -4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.192 -0.451 -4.009 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.118 -1.494 -5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.511 -2.147 -3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.146 0.592 -2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.734 -0.825 -1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.873 0.449 -1.772 1.00 0.00 H new ATOM 67 N LYS A 6 7.517 -1.624 -1.223 1.00 0.00 N ATOM 68 CA LYS A 6 8.042 -1.982 0.098 1.00 0.00 C ATOM 69 C LYS A 6 7.585 -1.067 1.240 1.00 0.00 C ATOM 70 O LYS A 6 8.025 0.072 1.303 1.00 0.00 O ATOM 71 CB LYS A 6 9.585 -1.973 0.011 1.00 0.00 C ATOM 72 CG LYS A 6 10.211 -2.760 -1.156 1.00 0.00 C ATOM 73 CD LYS A 6 11.617 -2.263 -1.512 1.00 0.00 C ATOM 74 CE LYS A 6 12.635 -2.378 -0.374 1.00 0.00 C ATOM 75 NZ LYS A 6 13.677 -1.342 -0.510 1.00 0.00 N ATOM 0 H LYS A 6 7.777 -0.683 -1.518 1.00 0.00 H new ATOM 0 HA LYS A 6 7.644 -2.966 0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.917 -0.937 -0.059 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.982 -2.373 0.944 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.258 -3.817 -0.893 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.567 -2.678 -2.032 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.983 -2.828 -2.369 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.553 -1.220 -1.822 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.130 -2.271 0.586 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.093 -3.367 -0.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.583 -1.712 -0.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.776 -1.079 -1.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.407 -0.504 0.043 1.00 0.00 H new ATOM 89 N MET A 7 6.670 -1.527 2.092 1.00 0.00 N ATOM 90 CA MET A 7 6.161 -0.819 3.273 1.00 0.00 C ATOM 91 C MET A 7 7.356 -0.685 4.230 1.00 0.00 C ATOM 92 O MET A 7 7.886 -1.705 4.671 1.00 0.00 O ATOM 93 CB MET A 7 5.024 -1.631 3.912 1.00 0.00 C ATOM 94 CG MET A 7 3.757 -1.868 3.096 1.00 0.00 C ATOM 95 SD MET A 7 2.513 -2.741 4.099 1.00 0.00 S ATOM 96 CE MET A 7 2.932 -4.469 3.768 1.00 0.00 C ATOM 0 H MET A 7 6.242 -2.445 1.975 1.00 0.00 H new ATOM 0 HA MET A 7 5.753 0.161 3.025 1.00 0.00 H new ATOM 0 HB2 MET A 7 5.427 -2.605 4.191 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.736 -1.129 4.836 1.00 0.00 H new ATOM 0 HG2 MET A 7 3.354 -0.915 2.753 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.993 -2.453 2.207 1.00 0.00 H new ATOM 0 HE1 MET A 7 2.189 -5.119 4.230 1.00 0.00 H new ATOM 0 HE2 MET A 7 2.945 -4.640 2.692 1.00 0.00 H new ATOM 0 HE3 MET A 7 3.915 -4.691 4.183 1.00 0.00 H new ATOM 106 N GLY A 8 7.776 0.535 4.586 1.00 0.00 N ATOM 107 CA GLY A 8 8.941 0.746 5.458 1.00 0.00 C ATOM 108 C GLY A 8 10.196 0.854 4.594 1.00 0.00 C ATOM 109 O GLY A 8 10.732 -0.163 4.139 1.00 0.00 O ATOM 0 H GLY A 8 7.324 1.397 4.282 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.811 1.654 6.047 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.039 -0.080 6.162 1.00 0.00 H new ATOM 113 N SER A 9 10.647 2.086 4.341 1.00 0.00 N ATOM 114 CA SER A 9 11.811 2.324 3.490 1.00 0.00 C ATOM 115 C SER A 9 13.079 1.647 4.018 1.00 0.00 C ATOM 116 O SER A 9 13.233 1.476 5.231 1.00 0.00 O ATOM 117 CB SER A 9 12.059 3.833 3.356 1.00 0.00 C ATOM 118 OG SER A 9 13.198 4.113 2.555 1.00 0.00 O ATOM 0 H SER A 9 10.221 2.934 4.715 1.00 0.00 H new ATOM 0 HA SER A 9 11.587 1.886 2.517 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.181 4.308 2.918 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.196 4.268 4.346 1.00 0.00 H new ATOM 0 HG SER A 9 13.058 3.759 1.652 1.00 0.00 H new ATOM 124 N ASP A 10 14.030 1.284 3.145 1.00 0.00 N ATOM 125 CA ASP A 10 15.290 0.684 3.618 1.00 0.00 C ATOM 126 C ASP A 10 16.054 1.652 4.547 1.00 0.00 C ATOM 127 O ASP A 10 16.899 1.218 5.328 1.00 0.00 O ATOM 128 CB ASP A 10 16.169 0.196 2.451 1.00 0.00 C ATOM 129 CG ASP A 10 15.822 -1.232 2.007 1.00 0.00 C ATOM 130 OD1 ASP A 10 15.407 -2.054 2.868 1.00 0.00 O ATOM 131 OD2 ASP A 10 15.947 -1.507 0.794 1.00 0.00 O ATOM 0 H ASP A 10 13.957 1.391 2.133 1.00 0.00 H new ATOM 0 HA ASP A 10 15.031 -0.198 4.204 1.00 0.00 H new ATOM 0 HB2 ASP A 10 16.053 0.874 1.605 1.00 0.00 H new ATOM 0 HB3 ASP A 10 17.217 0.235 2.749 1.00 0.00 H new ATOM 136 N SER A 11 15.718 2.950 4.495 1.00 0.00 N ATOM 137 CA SER A 11 16.268 4.029 5.320 1.00 0.00 C ATOM 138 C SER A 11 15.607 4.101 6.710 1.00 0.00 C ATOM 139 O SER A 11 16.073 4.843 7.572 1.00 0.00 O ATOM 140 CB SER A 11 16.112 5.363 4.575 1.00 0.00 C ATOM 141 OG SER A 11 14.748 5.698 4.373 1.00 0.00 O ATOM 0 H SER A 11 15.016 3.291 3.838 1.00 0.00 H new ATOM 0 HA SER A 11 17.324 3.820 5.490 1.00 0.00 H new ATOM 0 HB2 SER A 11 16.601 6.155 5.142 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.618 5.302 3.611 1.00 0.00 H new ATOM 0 HG SER A 11 14.363 5.105 3.694 1.00 0.00 H new ATOM 147 N GLY A 12 14.542 3.315 6.930 1.00 0.00 N ATOM 148 CA GLY A 12 13.790 3.188 8.175 1.00 0.00 C ATOM 149 C GLY A 12 12.603 4.140 8.321 1.00 0.00 C ATOM 150 O GLY A 12 12.023 4.226 9.403 1.00 0.00 O ATOM 0 H GLY A 12 14.165 2.717 6.195 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.426 2.164 8.257 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.471 3.352 9.010 1.00 0.00 H new ATOM 154 N ALA A 13 12.249 4.852 7.248 1.00 0.00 N ATOM 155 CA ALA A 13 11.119 5.755 7.230 1.00 0.00 C ATOM 156 C ALA A 13 9.823 4.975 6.972 1.00 0.00 C ATOM 157 O ALA A 13 9.765 4.087 6.113 1.00 0.00 O ATOM 158 CB ALA A 13 11.356 6.816 6.148 1.00 0.00 C ATOM 0 H ALA A 13 12.752 4.810 6.362 1.00 0.00 H new ATOM 0 HA ALA A 13 11.017 6.249 8.196 1.00 0.00 H new ATOM 0 HB1 ALA A 13 10.511 7.505 6.123 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.268 7.368 6.374 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.457 6.330 5.178 1.00 0.00 H new ATOM 164 N LEU A 14 8.774 5.356 7.707 1.00 0.00 N ATOM 165 CA LEU A 14 7.419 4.814 7.619 1.00 0.00 C ATOM 166 C LEU A 14 6.779 5.305 6.318 1.00 0.00 C ATOM 167 O LEU A 14 5.943 6.203 6.291 1.00 0.00 O ATOM 168 CB LEU A 14 6.551 5.218 8.835 1.00 0.00 C ATOM 169 CG LEU A 14 6.930 4.682 10.227 1.00 0.00 C ATOM 170 CD1 LEU A 14 7.408 3.233 10.171 1.00 0.00 C ATOM 171 CD2 LEU A 14 7.956 5.571 10.929 1.00 0.00 C ATOM 0 H LEU A 14 8.853 6.087 8.414 1.00 0.00 H new ATOM 0 HA LEU A 14 7.479 3.726 7.624 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.547 6.307 8.890 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.527 4.905 8.628 1.00 0.00 H new ATOM 0 HG LEU A 14 6.017 4.706 10.823 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.665 2.896 11.175 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.614 2.603 9.769 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.286 3.164 9.529 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.192 5.152 11.907 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.864 5.623 10.328 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.545 6.573 11.053 1.00 0.00 H new ATOM 183 N VAL A 15 7.220 4.731 5.207 1.00 0.00 N ATOM 184 CA VAL A 15 6.736 5.063 3.883 1.00 0.00 C ATOM 185 C VAL A 15 6.943 3.862 2.971 1.00 0.00 C ATOM 186 O VAL A 15 7.948 3.152 3.059 1.00 0.00 O ATOM 187 CB VAL A 15 7.462 6.327 3.351 1.00 0.00 C ATOM 188 CG1 VAL A 15 8.973 6.139 3.142 1.00 0.00 C ATOM 189 CG2 VAL A 15 6.839 6.849 2.048 1.00 0.00 C ATOM 0 H VAL A 15 7.939 4.007 5.206 1.00 0.00 H new ATOM 0 HA VAL A 15 5.671 5.294 3.915 1.00 0.00 H new ATOM 0 HB VAL A 15 7.327 7.064 4.143 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.407 7.067 2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.441 5.875 4.090 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.144 5.342 2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.381 7.734 1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.899 6.077 1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.794 7.107 2.222 1.00 0.00 H new ATOM 199 N PHE A 16 5.912 3.546 2.194 1.00 0.00 N ATOM 200 CA PHE A 16 5.942 2.482 1.213 1.00 0.00 C ATOM 201 C PHE A 16 6.698 3.009 -0.004 1.00 0.00 C ATOM 202 O PHE A 16 6.500 4.142 -0.419 1.00 0.00 O ATOM 203 CB PHE A 16 4.512 1.932 1.006 1.00 0.00 C ATOM 204 CG PHE A 16 3.320 2.842 1.219 1.00 0.00 C ATOM 205 CD1 PHE A 16 3.329 4.190 0.838 1.00 0.00 C ATOM 206 CD2 PHE A 16 2.236 2.342 1.963 1.00 0.00 C ATOM 207 CE1 PHE A 16 2.254 5.024 1.167 1.00 0.00 C ATOM 208 CE2 PHE A 16 1.173 3.178 2.323 1.00 0.00 C ATOM 209 CZ PHE A 16 1.175 4.517 1.911 1.00 0.00 C ATOM 0 H PHE A 16 5.018 4.035 2.234 1.00 0.00 H new ATOM 0 HA PHE A 16 6.494 1.595 1.523 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.454 1.552 -0.014 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.392 1.077 1.672 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.169 4.588 0.288 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.224 1.303 2.259 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.254 6.056 0.849 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.356 2.793 2.915 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.346 5.161 2.166 1.00 0.00 H new ATOM 219 N GLU A 17 7.651 2.230 -0.528 1.00 0.00 N ATOM 220 CA GLU A 17 8.489 2.652 -1.662 1.00 0.00 C ATOM 221 C GLU A 17 8.300 1.761 -2.898 1.00 0.00 C ATOM 222 O GLU A 17 8.613 0.570 -2.828 1.00 0.00 O ATOM 223 CB GLU A 17 9.968 2.799 -1.192 1.00 0.00 C ATOM 224 CG GLU A 17 10.680 1.593 -0.559 1.00 0.00 C ATOM 225 CD GLU A 17 12.040 1.874 0.124 1.00 0.00 C ATOM 226 OE1 GLU A 17 12.434 3.049 0.333 1.00 0.00 O ATOM 227 OE2 GLU A 17 12.664 0.875 0.565 1.00 0.00 O ATOM 0 H GLU A 17 7.864 1.294 -0.182 1.00 0.00 H new ATOM 0 HA GLU A 17 8.163 3.635 -2.002 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.556 3.111 -2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.003 3.615 -0.471 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.012 1.152 0.180 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.836 0.843 -1.335 1.00 0.00 H new ATOM 234 N PRO A 18 7.734 2.290 -4.009 1.00 0.00 N ATOM 235 CA PRO A 18 7.218 3.654 -4.180 1.00 0.00 C ATOM 236 C PRO A 18 5.832 3.925 -3.574 1.00 0.00 C ATOM 237 O PRO A 18 4.889 3.142 -3.716 1.00 0.00 O ATOM 238 CB PRO A 18 7.199 3.900 -5.676 1.00 0.00 C ATOM 239 CG PRO A 18 6.960 2.509 -6.262 1.00 0.00 C ATOM 240 CD PRO A 18 7.710 1.596 -5.292 1.00 0.00 C ATOM 0 HA PRO A 18 7.868 4.335 -3.631 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.409 4.596 -5.959 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.139 4.327 -6.025 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.898 2.266 -6.306 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.348 2.426 -7.277 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.211 0.631 -5.202 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.722 1.400 -5.647 1.00 0.00 H new ATOM 248 N SER A 19 5.710 5.103 -2.957 1.00 0.00 N ATOM 249 CA SER A 19 4.526 5.604 -2.259 1.00 0.00 C ATOM 250 C SER A 19 3.450 6.131 -3.224 1.00 0.00 C ATOM 251 O SER A 19 2.314 6.384 -2.815 1.00 0.00 O ATOM 252 CB SER A 19 4.960 6.741 -1.308 1.00 0.00 C ATOM 253 OG SER A 19 6.047 7.496 -1.823 1.00 0.00 O ATOM 0 H SER A 19 6.481 5.771 -2.930 1.00 0.00 H new ATOM 0 HA SER A 19 4.085 4.773 -1.708 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.113 7.404 -1.130 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.241 6.317 -0.344 1.00 0.00 H new ATOM 0 HG SER A 19 6.284 8.204 -1.188 1.00 0.00 H new ATOM 259 N THR A 20 3.801 6.279 -4.508 1.00 0.00 N ATOM 260 CA THR A 20 3.020 6.793 -5.640 1.00 0.00 C ATOM 261 C THR A 20 3.379 5.983 -6.887 1.00 0.00 C ATOM 262 O THR A 20 4.565 5.825 -7.179 1.00 0.00 O ATOM 263 CB THR A 20 3.344 8.272 -5.915 1.00 0.00 C ATOM 264 OG1 THR A 20 3.539 9.014 -4.732 1.00 0.00 O ATOM 265 CG2 THR A 20 2.244 8.970 -6.717 1.00 0.00 C ATOM 0 H THR A 20 4.738 6.013 -4.811 1.00 0.00 H new ATOM 0 HA THR A 20 1.961 6.705 -5.398 1.00 0.00 H new ATOM 0 HB THR A 20 4.269 8.247 -6.492 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.743 9.945 -4.960 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.521 10.011 -6.884 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.120 8.469 -7.677 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.307 8.928 -6.162 1.00 0.00 H new ATOM 273 N VAL A 21 2.396 5.441 -7.620 1.00 0.00 N ATOM 274 CA VAL A 21 2.691 4.615 -8.807 1.00 0.00 C ATOM 275 C VAL A 21 1.630 4.722 -9.900 1.00 0.00 C ATOM 276 O VAL A 21 0.531 5.231 -9.662 1.00 0.00 O ATOM 277 CB VAL A 21 2.981 3.165 -8.341 1.00 0.00 C ATOM 278 CG1 VAL A 21 1.697 2.360 -8.086 1.00 0.00 C ATOM 279 CG2 VAL A 21 3.916 2.391 -9.282 1.00 0.00 C ATOM 0 H VAL A 21 1.403 5.555 -7.419 1.00 0.00 H new ATOM 0 HA VAL A 21 3.584 5.001 -9.298 1.00 0.00 H new ATOM 0 HB VAL A 21 3.506 3.282 -7.393 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.958 1.352 -7.762 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.109 2.850 -7.310 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.113 2.306 -9.005 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.073 1.385 -8.892 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.466 2.330 -10.273 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.873 2.908 -9.350 1.00 0.00 H new ATOM 289 N THR A 22 1.989 4.244 -11.098 1.00 0.00 N ATOM 290 CA THR A 22 1.160 4.288 -12.298 1.00 0.00 C ATOM 291 C THR A 22 1.110 2.906 -12.982 1.00 0.00 C ATOM 292 O THR A 22 2.097 2.424 -13.544 1.00 0.00 O ATOM 293 CB THR A 22 1.654 5.456 -13.179 1.00 0.00 C ATOM 294 OG1 THR A 22 0.819 5.618 -14.310 1.00 0.00 O ATOM 295 CG2 THR A 22 3.098 5.326 -13.690 1.00 0.00 C ATOM 0 H THR A 22 2.895 3.803 -11.259 1.00 0.00 H new ATOM 0 HA THR A 22 0.116 4.495 -12.064 1.00 0.00 H new ATOM 0 HB THR A 22 1.619 6.318 -12.513 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.147 6.364 -14.855 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.348 6.195 -14.298 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.780 5.268 -12.842 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.191 4.423 -14.293 1.00 0.00 H new ATOM 303 N ILE A 23 -0.042 2.249 -12.840 1.00 0.00 N ATOM 304 CA ILE A 23 -0.342 0.930 -13.426 1.00 0.00 C ATOM 305 C ILE A 23 -1.600 1.037 -14.298 1.00 0.00 C ATOM 306 O ILE A 23 -2.183 2.114 -14.348 1.00 0.00 O ATOM 307 CB ILE A 23 -0.463 -0.144 -12.308 1.00 0.00 C ATOM 308 CG1 ILE A 23 -1.592 0.122 -11.283 1.00 0.00 C ATOM 309 CG2 ILE A 23 0.885 -0.293 -11.578 1.00 0.00 C ATOM 310 CD1 ILE A 23 -2.889 -0.620 -11.627 1.00 0.00 C ATOM 0 H ILE A 23 -0.820 2.627 -12.299 1.00 0.00 H new ATOM 0 HA ILE A 23 0.475 0.608 -14.071 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.734 -1.071 -12.813 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.256 -0.182 -10.292 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.792 1.193 -11.238 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.794 -1.047 -10.796 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.652 -0.599 -12.289 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.164 0.661 -11.131 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.646 -0.397 -10.875 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.244 -0.298 -12.606 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.700 -1.693 -11.645 1.00 0.00 H new ATOM 322 N LYS A 24 -2.037 -0.004 -15.025 1.00 0.00 N ATOM 323 CA LYS A 24 -3.268 0.108 -15.806 1.00 0.00 C ATOM 324 C LYS A 24 -4.279 -1.004 -15.646 1.00 0.00 C ATOM 325 O LYS A 24 -4.071 -1.955 -14.905 1.00 0.00 O ATOM 326 CB LYS A 24 -2.901 0.431 -17.260 1.00 0.00 C ATOM 327 CG LYS A 24 -2.393 -0.602 -18.256 1.00 0.00 C ATOM 328 CD LYS A 24 -2.432 0.065 -19.651 1.00 0.00 C ATOM 329 CE LYS A 24 -1.396 1.188 -19.895 1.00 0.00 C ATOM 330 NZ LYS A 24 -1.816 2.543 -19.430 1.00 0.00 N ATOM 0 H LYS A 24 -1.567 -0.907 -15.085 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.836 0.936 -15.382 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.790 0.875 -17.708 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.142 1.212 -17.217 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.379 -0.915 -18.005 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.016 -1.496 -18.237 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.285 -0.708 -20.406 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.429 0.477 -19.807 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.466 0.920 -19.393 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.180 1.237 -20.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.376 3.268 -20.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.851 2.625 -19.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.514 2.681 -18.444 1.00 0.00 H new ATOM 344 N ALA A 25 -5.438 -0.817 -16.271 1.00 0.00 N ATOM 345 CA ALA A 25 -6.568 -1.721 -16.209 1.00 0.00 C ATOM 346 C ALA A 25 -6.176 -3.217 -16.376 1.00 0.00 C ATOM 347 O ALA A 25 -5.907 -3.687 -17.484 1.00 0.00 O ATOM 348 CB ALA A 25 -7.623 -1.255 -17.221 1.00 0.00 C ATOM 0 H ALA A 25 -5.616 0.000 -16.855 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.995 -1.679 -15.207 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.481 -1.926 -17.187 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.943 -0.243 -16.973 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.195 -1.264 -18.223 1.00 0.00 H new ATOM 354 N GLY A 26 -6.104 -3.937 -15.248 1.00 0.00 N ATOM 355 CA GLY A 26 -5.774 -5.359 -15.155 1.00 0.00 C ATOM 356 C GLY A 26 -4.437 -5.651 -14.465 1.00 0.00 C ATOM 357 O GLY A 26 -4.061 -6.815 -14.331 1.00 0.00 O ATOM 0 H GLY A 26 -6.283 -3.521 -14.334 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.569 -5.870 -14.612 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.751 -5.781 -16.160 1.00 0.00 H new ATOM 361 N GLU A 27 -3.686 -4.621 -14.069 1.00 0.00 N ATOM 362 CA GLU A 27 -2.377 -4.753 -13.440 1.00 0.00 C ATOM 363 C GLU A 27 -2.422 -4.935 -11.925 1.00 0.00 C ATOM 364 O GLU A 27 -3.465 -4.826 -11.269 1.00 0.00 O ATOM 365 CB GLU A 27 -1.546 -3.507 -13.727 1.00 0.00 C ATOM 366 CG GLU A 27 -0.850 -3.543 -15.081 1.00 0.00 C ATOM 367 CD GLU A 27 0.203 -2.451 -15.057 1.00 0.00 C ATOM 368 OE1 GLU A 27 1.113 -2.572 -14.208 1.00 0.00 O ATOM 369 OE2 GLU A 27 0.130 -1.475 -15.830 1.00 0.00 O ATOM 0 H GLU A 27 -3.981 -3.651 -14.181 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.940 -5.655 -13.867 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.192 -2.630 -13.682 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.796 -3.391 -12.944 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.394 -4.517 -15.256 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.563 -3.375 -15.888 1.00 0.00 H new ATOM 376 N GLU A 28 -1.231 -5.197 -11.367 1.00 0.00 N ATOM 377 CA GLU A 28 -1.094 -5.440 -9.945 1.00 0.00 C ATOM 378 C GLU A 28 0.023 -4.599 -9.344 1.00 0.00 C ATOM 379 O GLU A 28 0.800 -3.916 -10.020 1.00 0.00 O ATOM 380 CB GLU A 28 -0.897 -6.940 -9.684 1.00 0.00 C ATOM 381 CG GLU A 28 0.464 -7.545 -9.387 1.00 0.00 C ATOM 382 CD GLU A 28 1.442 -7.167 -10.453 1.00 0.00 C ATOM 383 OE1 GLU A 28 1.106 -7.374 -11.644 1.00 0.00 O ATOM 384 OE2 GLU A 28 2.558 -6.748 -10.085 1.00 0.00 O ATOM 0 H GLU A 28 -0.356 -5.243 -11.889 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.013 -5.133 -9.446 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.543 -7.198 -8.845 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.286 -7.462 -10.558 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.820 -7.198 -8.417 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.382 -8.630 -9.327 1.00 0.00 H new ATOM 391 N VAL A 29 0.050 -4.675 -8.021 1.00 0.00 N ATOM 392 CA VAL A 29 0.938 -3.987 -7.124 1.00 0.00 C ATOM 393 C VAL A 29 1.237 -4.971 -5.968 1.00 0.00 C ATOM 394 O VAL A 29 0.470 -5.062 -5.008 1.00 0.00 O ATOM 395 CB VAL A 29 0.197 -2.735 -6.638 1.00 0.00 C ATOM 396 CG1 VAL A 29 1.061 -1.957 -5.646 1.00 0.00 C ATOM 397 CG2 VAL A 29 -0.214 -1.742 -7.738 1.00 0.00 C ATOM 0 H VAL A 29 -0.606 -5.271 -7.517 1.00 0.00 H new ATOM 0 HA VAL A 29 1.879 -3.678 -7.580 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.715 -3.130 -6.191 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.522 -1.071 -5.310 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.290 -2.590 -4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.989 -1.654 -6.131 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.730 -0.894 -7.288 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.675 -1.390 -8.261 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.879 -2.238 -8.446 1.00 0.00 H new ATOM 407 N LYS A 30 2.335 -5.742 -6.010 1.00 0.00 N ATOM 408 CA LYS A 30 2.672 -6.743 -4.981 1.00 0.00 C ATOM 409 C LYS A 30 3.414 -6.244 -3.728 1.00 0.00 C ATOM 410 O LYS A 30 4.445 -6.788 -3.351 1.00 0.00 O ATOM 411 CB LYS A 30 3.358 -7.945 -5.684 1.00 0.00 C ATOM 412 CG LYS A 30 4.784 -7.703 -6.204 1.00 0.00 C ATOM 413 CD LYS A 30 5.270 -8.724 -7.245 1.00 0.00 C ATOM 414 CE LYS A 30 4.669 -8.524 -8.642 1.00 0.00 C ATOM 415 NZ LYS A 30 5.039 -7.228 -9.256 1.00 0.00 N ATOM 0 H LYS A 30 3.020 -5.689 -6.764 1.00 0.00 H new ATOM 0 HA LYS A 30 1.731 -7.052 -4.526 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.385 -8.781 -4.985 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.735 -8.252 -6.524 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.832 -6.706 -6.643 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.471 -7.712 -5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.356 -8.666 -7.316 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.026 -9.727 -6.896 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.999 -9.334 -9.292 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.583 -8.591 -8.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.195 -6.624 -9.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.754 -6.756 -8.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.428 -7.393 -10.206 1.00 0.00 H new ATOM 429 N TRP A 31 2.898 -5.203 -3.059 1.00 0.00 N ATOM 430 CA TRP A 31 3.513 -4.699 -1.828 1.00 0.00 C ATOM 431 C TRP A 31 3.682 -5.662 -0.653 1.00 0.00 C ATOM 432 O TRP A 31 2.762 -6.395 -0.277 1.00 0.00 O ATOM 433 CB TRP A 31 2.871 -3.375 -1.377 1.00 0.00 C ATOM 434 CG TRP A 31 1.448 -3.043 -1.697 1.00 0.00 C ATOM 435 CD1 TRP A 31 0.443 -3.868 -2.063 1.00 0.00 C ATOM 436 CD2 TRP A 31 0.938 -1.692 -1.884 1.00 0.00 C ATOM 437 NE1 TRP A 31 -0.560 -3.113 -2.642 1.00 0.00 N ATOM 438 CE2 TRP A 31 -0.320 -1.765 -2.537 1.00 0.00 C ATOM 439 CE3 TRP A 31 1.451 -0.407 -1.618 1.00 0.00 C ATOM 440 CZ2 TRP A 31 -1.009 -0.629 -2.972 1.00 0.00 C ATOM 441 CZ3 TRP A 31 0.778 0.743 -2.060 1.00 0.00 C ATOM 442 CH2 TRP A 31 -0.448 0.640 -2.741 1.00 0.00 C ATOM 0 H TRP A 31 2.061 -4.698 -3.349 1.00 0.00 H new ATOM 0 HA TRP A 31 4.544 -4.538 -2.143 1.00 0.00 H new ATOM 0 HB2 TRP A 31 2.970 -3.329 -0.292 1.00 0.00 H new ATOM 0 HB3 TRP A 31 3.483 -2.571 -1.787 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.426 -4.939 -1.926 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -1.383 -3.511 -3.095 1.00 0.00 H new ATOM 0 HE3 TRP A 31 2.374 -0.305 -1.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.958 -0.724 -3.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 1.206 1.717 -1.875 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -0.955 1.529 -3.084 1.00 0.00 H new ATOM 453 N VAL A 32 4.915 -5.565 -0.132 1.00 0.00 N ATOM 454 CA VAL A 32 5.615 -6.274 0.935 1.00 0.00 C ATOM 455 C VAL A 32 6.056 -5.384 2.097 1.00 0.00 C ATOM 456 O VAL A 32 6.389 -4.220 1.921 1.00 0.00 O ATOM 457 CB VAL A 32 6.868 -6.932 0.315 1.00 0.00 C ATOM 458 CG1 VAL A 32 7.494 -8.009 1.225 1.00 0.00 C ATOM 459 CG2 VAL A 32 6.693 -7.540 -1.089 1.00 0.00 C ATOM 0 H VAL A 32 5.543 -4.864 -0.525 1.00 0.00 H new ATOM 0 HA VAL A 32 4.916 -6.998 1.354 1.00 0.00 H new ATOM 0 HB VAL A 32 7.534 -6.075 0.213 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.370 -8.435 0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.791 -7.558 2.172 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.764 -8.797 1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.638 -7.972 -1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.931 -8.318 -1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.386 -6.761 -1.787 1.00 0.00 H new ATOM 469 N ASN A 33 6.102 -5.994 3.278 1.00 0.00 N ATOM 470 CA ASN A 33 6.530 -5.476 4.580 1.00 0.00 C ATOM 471 C ASN A 33 8.066 -5.489 4.587 1.00 0.00 C ATOM 472 O ASN A 33 8.662 -6.561 4.476 1.00 0.00 O ATOM 473 CB ASN A 33 5.879 -6.438 5.570 1.00 0.00 C ATOM 474 CG ASN A 33 6.371 -6.434 6.989 1.00 0.00 C ATOM 475 OD1 ASN A 33 7.529 -6.225 7.291 1.00 0.00 O ATOM 476 ND2 ASN A 33 5.489 -6.701 7.925 1.00 0.00 N ATOM 0 H ASN A 33 5.810 -6.968 3.358 1.00 0.00 H new ATOM 0 HA ASN A 33 6.240 -4.454 4.823 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.810 -6.226 5.587 1.00 0.00 H new ATOM 0 HB3 ASN A 33 5.997 -7.449 5.179 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.777 -6.732 8.903 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.516 -6.877 7.674 1.00 0.00 H new ATOM 483 N ASN A 34 8.725 -4.335 4.709 1.00 0.00 N ATOM 484 CA ASN A 34 10.186 -4.249 4.712 1.00 0.00 C ATOM 485 C ASN A 34 10.759 -3.444 5.883 1.00 0.00 C ATOM 486 O ASN A 34 11.951 -3.640 6.136 1.00 0.00 O ATOM 487 CB ASN A 34 10.663 -3.759 3.338 1.00 0.00 C ATOM 488 CG ASN A 34 12.184 -3.683 3.205 1.00 0.00 C ATOM 489 OD1 ASN A 34 12.919 -4.658 3.276 1.00 0.00 O ATOM 490 ND2 ASN A 34 12.701 -2.478 3.008 1.00 0.00 N ATOM 0 H ASN A 34 8.260 -3.433 4.809 1.00 0.00 H new ATOM 0 HA ASN A 34 10.585 -5.249 4.881 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.273 -4.426 2.569 1.00 0.00 H new ATOM 0 HB3 ASN A 34 10.241 -2.772 3.148 1.00 0.00 H new ATOM 0 HD21 ASN A 34 13.711 -2.365 2.916 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.089 -1.664 2.949 1.00 0.00 H new ATOM 497 N LYS A 35 10.017 -2.557 6.579 1.00 0.00 N ATOM 498 CA LYS A 35 10.615 -1.857 7.738 1.00 0.00 C ATOM 499 C LYS A 35 9.669 -1.170 8.741 1.00 0.00 C ATOM 500 O LYS A 35 8.576 -0.691 8.445 1.00 0.00 O ATOM 501 CB LYS A 35 11.710 -0.855 7.293 1.00 0.00 C ATOM 502 CG LYS A 35 12.989 -0.969 8.159 1.00 0.00 C ATOM 503 CD LYS A 35 14.064 -1.960 7.693 1.00 0.00 C ATOM 504 CE LYS A 35 14.591 -1.604 6.299 1.00 0.00 C ATOM 505 NZ LYS A 35 14.576 -2.773 5.392 1.00 0.00 N ATOM 0 H LYS A 35 9.048 -2.315 6.374 1.00 0.00 H new ATOM 0 HA LYS A 35 11.034 -2.691 8.302 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.963 -1.035 6.248 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.319 0.161 7.356 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.444 0.019 8.221 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.689 -1.246 9.170 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.889 -1.964 8.405 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.650 -2.968 7.680 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.983 -0.806 5.873 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.608 -1.221 6.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.875 -2.478 4.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.229 -3.499 5.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.614 -3.165 5.346 1.00 0.00 H new ATOM 519 N LEU A 36 10.237 -1.093 9.950 1.00 0.00 N ATOM 520 CA LEU A 36 9.771 -0.506 11.199 1.00 0.00 C ATOM 521 C LEU A 36 8.324 -0.887 11.508 1.00 0.00 C ATOM 522 O LEU A 36 7.468 -0.074 11.837 1.00 0.00 O ATOM 523 CB LEU A 36 10.094 0.999 11.152 1.00 0.00 C ATOM 524 CG LEU A 36 9.968 1.762 12.490 1.00 0.00 C ATOM 525 CD1 LEU A 36 10.800 1.143 13.615 1.00 0.00 C ATOM 526 CD2 LEU A 36 10.477 3.189 12.288 1.00 0.00 C ATOM 0 H LEU A 36 11.163 -1.500 10.086 1.00 0.00 H new ATOM 0 HA LEU A 36 10.296 -0.915 12.062 1.00 0.00 H new ATOM 0 HB2 LEU A 36 11.112 1.120 10.782 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.432 1.470 10.425 1.00 0.00 H new ATOM 0 HG LEU A 36 8.917 1.723 12.778 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.668 1.725 14.527 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.473 0.118 13.788 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.853 1.145 13.332 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.394 3.741 13.224 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.520 3.162 11.973 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.880 3.683 11.522 1.00 0.00 H new ATOM 538 N SER A 37 8.140 -2.204 11.416 1.00 0.00 N ATOM 539 CA SER A 37 6.945 -2.993 11.668 1.00 0.00 C ATOM 540 C SER A 37 6.308 -2.670 13.030 1.00 0.00 C ATOM 541 O SER A 37 7.021 -2.366 13.992 1.00 0.00 O ATOM 542 CB SER A 37 7.304 -4.487 11.656 1.00 0.00 C ATOM 543 OG SER A 37 8.438 -4.757 10.850 1.00 0.00 O ATOM 0 H SER A 37 8.913 -2.805 11.131 1.00 0.00 H new ATOM 0 HA SER A 37 6.230 -2.748 10.883 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.497 -4.821 12.675 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.453 -5.061 11.288 1.00 0.00 H new ATOM 0 HG SER A 37 8.633 -5.717 10.871 1.00 0.00 H new ATOM 549 N PRO A 38 4.977 -2.835 13.149 1.00 0.00 N ATOM 550 CA PRO A 38 4.054 -3.253 12.090 1.00 0.00 C ATOM 551 C PRO A 38 3.847 -2.160 11.022 1.00 0.00 C ATOM 552 O PRO A 38 4.383 -1.064 11.117 1.00 0.00 O ATOM 553 CB PRO A 38 2.757 -3.600 12.820 1.00 0.00 C ATOM 554 CG PRO A 38 2.765 -2.647 14.014 1.00 0.00 C ATOM 555 CD PRO A 38 4.247 -2.575 14.380 1.00 0.00 C ATOM 0 HA PRO A 38 4.445 -4.101 11.528 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.884 -3.445 12.186 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.739 -4.643 13.137 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.365 -1.667 13.752 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.163 -3.027 14.839 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.502 -1.596 14.785 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.496 -3.311 15.144 1.00 0.00 H new ATOM 563 N HIS A 39 3.112 -2.533 9.976 1.00 0.00 N ATOM 564 CA HIS A 39 2.673 -1.764 8.809 1.00 0.00 C ATOM 565 C HIS A 39 1.319 -2.202 8.263 1.00 0.00 C ATOM 566 O HIS A 39 0.830 -3.271 8.608 1.00 0.00 O ATOM 567 CB HIS A 39 3.778 -1.695 7.720 1.00 0.00 C ATOM 568 CG HIS A 39 4.811 -2.787 7.558 1.00 0.00 C ATOM 569 ND1 HIS A 39 5.157 -3.730 8.490 1.00 0.00 N ATOM 570 CD2 HIS A 39 5.971 -2.524 6.886 1.00 0.00 C ATOM 571 CE1 HIS A 39 6.479 -3.921 8.431 1.00 0.00 C ATOM 572 NE2 HIS A 39 7.013 -3.271 7.402 1.00 0.00 N ATOM 0 H HIS A 39 2.770 -3.492 9.918 1.00 0.00 H new ATOM 0 HA HIS A 39 2.510 -0.744 9.158 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.269 -1.599 6.761 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.325 -0.767 7.885 1.00 0.00 H new ATOM 0 HD1 HIS A 39 4.514 -4.206 9.123 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.061 -1.828 6.065 1.00 0.00 H new ATOM 0 HE1 HIS A 39 7.040 -4.525 9.129 1.00 0.00 H new ATOM 580 N ASN A 40 0.676 -1.367 7.434 1.00 0.00 N ATOM 581 CA ASN A 40 -0.661 -1.605 6.875 1.00 0.00 C ATOM 582 C ASN A 40 -0.855 -0.973 5.473 1.00 0.00 C ATOM 583 O ASN A 40 -0.094 -0.096 5.056 1.00 0.00 O ATOM 584 CB ASN A 40 -1.602 -1.035 7.974 1.00 0.00 C ATOM 585 CG ASN A 40 -3.084 -0.881 7.681 1.00 0.00 C ATOM 586 OD1 ASN A 40 -3.564 0.225 7.509 1.00 0.00 O ATOM 587 ND2 ASN A 40 -3.853 -1.952 7.685 1.00 0.00 N ATOM 0 H ASN A 40 1.083 -0.484 7.126 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.863 -2.656 6.670 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.507 -1.676 8.850 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.220 -0.053 8.254 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.859 -1.858 7.543 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.442 -2.874 7.830 1.00 0.00 H new ATOM 594 N ILE A 41 -1.898 -1.439 4.764 1.00 0.00 N ATOM 595 CA ILE A 41 -2.331 -0.986 3.439 1.00 0.00 C ATOM 596 C ILE A 41 -3.860 -0.808 3.414 1.00 0.00 C ATOM 597 O ILE A 41 -4.557 -1.701 2.963 1.00 0.00 O ATOM 598 CB ILE A 41 -1.798 -1.921 2.302 1.00 0.00 C ATOM 599 CG1 ILE A 41 -0.261 -1.783 2.216 1.00 0.00 C ATOM 600 CG2 ILE A 41 -2.354 -1.444 0.939 1.00 0.00 C ATOM 601 CD1 ILE A 41 0.435 -2.926 1.486 1.00 0.00 C ATOM 0 H ILE A 41 -2.493 -2.185 5.125 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.890 -0.009 3.240 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.101 -2.945 2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.020 -0.847 1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.142 -1.714 3.226 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.983 -2.095 0.147 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.443 -1.480 0.958 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.028 -0.421 0.751 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.510 -2.748 1.473 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.229 -3.865 2.000 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.064 -2.984 0.463 1.00 0.00 H new ATOM 613 N VAL A 42 -4.433 0.293 3.931 1.00 0.00 N ATOM 614 CA VAL A 42 -5.894 0.561 3.903 1.00 0.00 C ATOM 615 C VAL A 42 -6.249 1.630 2.882 1.00 0.00 C ATOM 616 O VAL A 42 -5.799 2.768 2.991 1.00 0.00 O ATOM 617 CB VAL A 42 -6.514 0.969 5.245 1.00 0.00 C ATOM 618 CG1 VAL A 42 -6.657 -0.265 6.117 1.00 0.00 C ATOM 619 CG2 VAL A 42 -5.835 2.102 6.004 1.00 0.00 C ATOM 0 H VAL A 42 -3.896 1.032 4.385 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.318 -0.406 3.631 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.483 1.399 4.992 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.097 0.015 7.074 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.301 -0.990 5.619 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.675 -0.708 6.285 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.372 2.290 6.934 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.806 1.823 6.230 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.841 3.004 5.392 1.00 0.00 H new ATOM 629 N PHE A 43 -7.059 1.290 1.879 1.00 0.00 N ATOM 630 CA PHE A 43 -7.506 2.230 0.863 1.00 0.00 C ATOM 631 C PHE A 43 -8.655 3.091 1.401 1.00 0.00 C ATOM 632 O PHE A 43 -9.544 2.603 2.117 1.00 0.00 O ATOM 633 CB PHE A 43 -7.899 1.539 -0.458 1.00 0.00 C ATOM 634 CG PHE A 43 -6.736 1.205 -1.381 1.00 0.00 C ATOM 635 CD1 PHE A 43 -5.722 0.315 -0.985 1.00 0.00 C ATOM 636 CD2 PHE A 43 -6.656 1.806 -2.650 1.00 0.00 C ATOM 637 CE1 PHE A 43 -4.638 0.043 -1.835 1.00 0.00 C ATOM 638 CE2 PHE A 43 -5.562 1.549 -3.504 1.00 0.00 C ATOM 639 CZ PHE A 43 -4.553 0.667 -3.090 1.00 0.00 C ATOM 0 H PHE A 43 -7.424 0.346 1.752 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.660 2.877 0.629 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.433 0.618 -0.224 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.595 2.184 -0.994 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.777 -0.164 -0.018 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.441 2.472 -2.975 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -3.868 -0.647 -1.523 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.502 2.028 -4.470 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.711 0.468 -3.736 1.00 0.00 H new ATOM 649 N ALA A 44 -8.609 4.367 1.012 1.00 0.00 N ATOM 650 CA ALA A 44 -9.550 5.403 1.418 1.00 0.00 C ATOM 651 C ALA A 44 -10.956 5.294 0.811 1.00 0.00 C ATOM 652 O ALA A 44 -11.860 5.923 1.359 1.00 0.00 O ATOM 653 CB ALA A 44 -8.951 6.761 1.036 1.00 0.00 C ATOM 0 H ALA A 44 -7.887 4.716 0.382 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.691 5.282 2.492 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.636 7.556 1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.998 6.896 1.548 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.792 6.798 -0.042 1.00 0.00 H new ATOM 659 N ALA A 45 -11.140 4.505 -0.260 1.00 0.00 N ATOM 660 CA ALA A 45 -12.387 4.318 -1.001 1.00 0.00 C ATOM 661 C ALA A 45 -12.700 5.622 -1.749 1.00 0.00 C ATOM 662 O ALA A 45 -13.629 6.355 -1.410 1.00 0.00 O ATOM 663 CB ALA A 45 -13.516 3.837 -0.072 1.00 0.00 C ATOM 0 H ALA A 45 -10.377 3.952 -0.650 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.286 3.526 -1.743 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -14.431 3.706 -0.649 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.234 2.887 0.381 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -13.683 4.577 0.711 1.00 0.00 H new ATOM 669 N ASP A 46 -11.876 5.943 -2.758 1.00 0.00 N ATOM 670 CA ASP A 46 -12.003 7.170 -3.546 1.00 0.00 C ATOM 671 C ASP A 46 -13.391 7.304 -4.220 1.00 0.00 C ATOM 672 O ASP A 46 -13.743 8.409 -4.636 1.00 0.00 O ATOM 673 CB ASP A 46 -10.813 7.271 -4.522 1.00 0.00 C ATOM 674 CG ASP A 46 -9.555 7.894 -3.880 1.00 0.00 C ATOM 675 OD1 ASP A 46 -8.866 7.264 -3.038 1.00 0.00 O ATOM 676 OD2 ASP A 46 -9.187 9.022 -4.286 1.00 0.00 O ATOM 0 H ASP A 46 -11.098 5.351 -3.049 1.00 0.00 H new ATOM 0 HA ASP A 46 -11.955 8.032 -2.881 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.569 6.275 -4.893 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.108 7.869 -5.384 1.00 0.00 H new ATOM 681 N GLY A 47 -14.179 6.220 -4.344 1.00 0.00 N ATOM 682 CA GLY A 47 -15.542 6.218 -4.902 1.00 0.00 C ATOM 683 C GLY A 47 -15.810 5.341 -6.112 1.00 0.00 C ATOM 684 O GLY A 47 -16.954 4.929 -6.323 1.00 0.00 O ATOM 0 H GLY A 47 -13.874 5.293 -4.049 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -16.228 5.915 -4.110 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.796 7.244 -5.169 1.00 0.00 H new ATOM 688 N VAL A 48 -14.769 5.059 -6.896 1.00 0.00 N ATOM 689 CA VAL A 48 -14.876 4.182 -8.077 1.00 0.00 C ATOM 690 C VAL A 48 -14.114 2.872 -7.876 1.00 0.00 C ATOM 691 O VAL A 48 -14.243 1.922 -8.643 1.00 0.00 O ATOM 692 CB VAL A 48 -14.424 4.899 -9.363 1.00 0.00 C ATOM 693 CG1 VAL A 48 -15.343 6.083 -9.692 1.00 0.00 C ATOM 694 CG2 VAL A 48 -12.963 5.378 -9.289 1.00 0.00 C ATOM 0 H VAL A 48 -13.831 5.426 -6.737 1.00 0.00 H new ATOM 0 HA VAL A 48 -15.931 3.934 -8.196 1.00 0.00 H new ATOM 0 HB VAL A 48 -14.492 4.161 -10.162 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -14.998 6.569 -10.605 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -16.362 5.724 -9.835 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -15.323 6.799 -8.870 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -12.696 5.876 -10.221 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.850 6.076 -8.459 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.307 4.522 -9.135 1.00 0.00 H new ATOM 704 N ASP A 49 -13.345 2.818 -6.798 1.00 0.00 N ATOM 705 CA ASP A 49 -12.487 1.738 -6.376 1.00 0.00 C ATOM 706 C ASP A 49 -13.136 0.748 -5.409 1.00 0.00 C ATOM 707 O ASP A 49 -13.873 1.092 -4.480 1.00 0.00 O ATOM 708 CB ASP A 49 -11.182 2.332 -5.824 1.00 0.00 C ATOM 709 CG ASP A 49 -11.415 3.342 -4.698 1.00 0.00 C ATOM 710 OD1 ASP A 49 -12.285 4.232 -4.867 1.00 0.00 O ATOM 711 OD2 ASP A 49 -10.741 3.226 -3.649 1.00 0.00 O ATOM 0 H ASP A 49 -13.308 3.600 -6.145 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.274 1.127 -7.253 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.549 1.525 -5.456 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.639 2.818 -6.634 1.00 0.00 H new ATOM 716 N ALA A 50 -12.853 -0.528 -5.675 1.00 0.00 N ATOM 717 CA ALA A 50 -13.298 -1.661 -4.889 1.00 0.00 C ATOM 718 C ALA A 50 -12.359 -1.779 -3.695 1.00 0.00 C ATOM 719 O ALA A 50 -11.616 -2.750 -3.549 1.00 0.00 O ATOM 720 CB ALA A 50 -13.347 -2.912 -5.780 1.00 0.00 C ATOM 0 H ALA A 50 -12.285 -0.802 -6.477 1.00 0.00 H new ATOM 0 HA ALA A 50 -14.310 -1.537 -4.505 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.682 -3.766 -5.191 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -14.041 -2.745 -6.604 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.353 -3.114 -6.179 1.00 0.00 H new ATOM 726 N ASP A 51 -12.413 -0.765 -2.829 1.00 0.00 N ATOM 727 CA ASP A 51 -11.584 -0.632 -1.643 1.00 0.00 C ATOM 728 C ASP A 51 -11.453 -1.948 -0.863 1.00 0.00 C ATOM 729 O ASP A 51 -10.339 -2.401 -0.600 1.00 0.00 O ATOM 730 CB ASP A 51 -12.090 0.535 -0.772 1.00 0.00 C ATOM 731 CG ASP A 51 -13.402 0.243 -0.028 1.00 0.00 C ATOM 732 OD1 ASP A 51 -14.281 -0.415 -0.626 1.00 0.00 O ATOM 733 OD2 ASP A 51 -13.470 0.582 1.179 1.00 0.00 O ATOM 0 H ASP A 51 -13.063 0.013 -2.945 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.570 -0.393 -1.963 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -11.321 0.789 -0.043 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -12.232 1.411 -1.405 1.00 0.00 H new ATOM 738 N THR A 52 -12.591 -2.596 -0.579 1.00 0.00 N ATOM 739 CA THR A 52 -12.744 -3.876 0.129 1.00 0.00 C ATOM 740 C THR A 52 -12.062 -5.085 -0.535 1.00 0.00 C ATOM 741 O THR A 52 -12.088 -6.176 0.037 1.00 0.00 O ATOM 742 CB THR A 52 -14.241 -4.158 0.345 1.00 0.00 C ATOM 743 OG1 THR A 52 -14.388 -5.305 1.145 1.00 0.00 O ATOM 744 CG2 THR A 52 -15.025 -4.394 -0.948 1.00 0.00 C ATOM 0 H THR A 52 -13.494 -2.212 -0.858 1.00 0.00 H new ATOM 0 HA THR A 52 -12.221 -3.755 1.078 1.00 0.00 H new ATOM 0 HB THR A 52 -14.646 -3.264 0.818 1.00 0.00 H new ATOM 0 HG1 THR A 52 -13.551 -5.815 1.142 1.00 0.00 H new ATOM 0 HG21 THR A 52 -16.071 -4.586 -0.709 1.00 0.00 H new ATOM 0 HG22 THR A 52 -14.953 -3.511 -1.583 1.00 0.00 H new ATOM 0 HG23 THR A 52 -14.609 -5.254 -1.474 1.00 0.00 H new ATOM 752 N ALA A 53 -11.500 -4.920 -1.730 1.00 0.00 N ATOM 753 CA ALA A 53 -10.765 -5.933 -2.489 1.00 0.00 C ATOM 754 C ALA A 53 -9.366 -5.419 -2.893 1.00 0.00 C ATOM 755 O ALA A 53 -8.573 -6.174 -3.450 1.00 0.00 O ATOM 756 CB ALA A 53 -11.594 -6.325 -3.720 1.00 0.00 C ATOM 0 H ALA A 53 -11.547 -4.028 -2.223 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.609 -6.813 -1.865 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.057 -7.080 -4.295 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.554 -6.728 -3.399 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.760 -5.445 -4.342 1.00 0.00 H new ATOM 762 N ALA A 54 -9.062 -4.153 -2.570 1.00 0.00 N ATOM 763 CA ALA A 54 -7.834 -3.441 -2.888 1.00 0.00 C ATOM 764 C ALA A 54 -6.950 -3.117 -1.676 1.00 0.00 C ATOM 765 O ALA A 54 -5.825 -2.675 -1.890 1.00 0.00 O ATOM 766 CB ALA A 54 -8.247 -2.147 -3.606 1.00 0.00 C ATOM 0 H ALA A 54 -9.715 -3.570 -2.046 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.217 -4.089 -3.510 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.356 -1.575 -3.866 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.798 -2.394 -4.514 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.881 -1.552 -2.948 1.00 0.00 H new ATOM 772 N LYS A 55 -7.398 -3.390 -0.436 1.00 0.00 N ATOM 773 CA LYS A 55 -6.698 -3.097 0.818 1.00 0.00 C ATOM 774 C LYS A 55 -6.604 -4.272 1.793 1.00 0.00 C ATOM 775 O LYS A 55 -7.247 -5.300 1.601 1.00 0.00 O ATOM 776 CB LYS A 55 -7.446 -1.893 1.392 1.00 0.00 C ATOM 777 CG LYS A 55 -8.745 -2.148 2.189 1.00 0.00 C ATOM 778 CD LYS A 55 -9.453 -0.805 2.466 1.00 0.00 C ATOM 779 CE LYS A 55 -10.958 -0.902 2.712 1.00 0.00 C ATOM 780 NZ LYS A 55 -11.519 0.440 3.014 1.00 0.00 N ATOM 0 H LYS A 55 -8.299 -3.841 -0.280 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.644 -2.887 0.635 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.758 -1.354 2.043 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.690 -1.228 0.564 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.405 -2.810 1.627 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.515 -2.650 3.129 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.988 -0.340 3.335 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.281 -0.141 1.619 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.451 -1.320 1.834 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.155 -1.581 3.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.489 0.502 2.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.531 0.587 4.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.930 1.171 2.567 1.00 0.00 H new ATOM 794 N LEU A 56 -5.758 -4.110 2.817 1.00 0.00 N ATOM 795 CA LEU A 56 -5.496 -5.058 3.898 1.00 0.00 C ATOM 796 C LEU A 56 -6.720 -5.182 4.813 1.00 0.00 C ATOM 797 O LEU A 56 -7.382 -6.214 4.828 1.00 0.00 O ATOM 798 CB LEU A 56 -4.253 -4.618 4.721 1.00 0.00 C ATOM 799 CG LEU A 56 -2.997 -5.499 4.590 1.00 0.00 C ATOM 800 CD1 LEU A 56 -1.863 -4.951 5.463 1.00 0.00 C ATOM 801 CD2 LEU A 56 -3.282 -6.928 5.062 1.00 0.00 C ATOM 0 H LEU A 56 -5.205 -3.259 2.916 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.292 -6.033 3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.990 -3.602 4.426 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.536 -4.581 5.773 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.711 -5.496 3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.983 -5.586 5.358 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.618 -3.937 5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.180 -4.940 6.506 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.380 -7.532 4.960 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.591 -6.911 6.107 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.078 -7.360 4.455 1.00 0.00 H new ATOM 813 N SER A 57 -7.014 -4.110 5.566 1.00 0.00 N ATOM 814 CA SER A 57 -8.089 -3.949 6.562 1.00 0.00 C ATOM 815 C SER A 57 -7.682 -2.911 7.608 1.00 0.00 C ATOM 816 O SER A 57 -6.504 -2.759 7.911 1.00 0.00 O ATOM 817 CB SER A 57 -8.444 -5.273 7.268 1.00 0.00 C ATOM 818 OG SER A 57 -9.050 -5.023 8.522 1.00 0.00 O ATOM 0 H SER A 57 -6.458 -3.259 5.488 1.00 0.00 H new ATOM 0 HA SER A 57 -8.975 -3.615 6.022 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.120 -5.855 6.641 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.543 -5.870 7.406 1.00 0.00 H new ATOM 0 HG SER A 57 -9.270 -5.874 8.955 1.00 0.00 H new ATOM 824 N HIS A 58 -8.658 -2.208 8.191 1.00 0.00 N ATOM 825 CA HIS A 58 -8.516 -1.200 9.250 1.00 0.00 C ATOM 826 C HIS A 58 -8.128 -1.849 10.603 1.00 0.00 C ATOM 827 O HIS A 58 -8.076 -1.208 11.657 1.00 0.00 O ATOM 828 CB HIS A 58 -9.808 -0.365 9.289 1.00 0.00 C ATOM 829 CG HIS A 58 -10.093 0.319 7.965 1.00 0.00 C ATOM 830 ND1 HIS A 58 -9.513 1.489 7.527 1.00 0.00 N ATOM 831 CD2 HIS A 58 -10.891 -0.146 6.950 1.00 0.00 C ATOM 832 CE1 HIS A 58 -9.938 1.708 6.267 1.00 0.00 C ATOM 833 NE2 HIS A 58 -10.780 0.733 5.863 1.00 0.00 N ATOM 0 H HIS A 58 -9.633 -2.335 7.919 1.00 0.00 H new ATOM 0 HA HIS A 58 -7.689 -0.522 9.036 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.647 -1.010 9.550 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -9.728 0.387 10.074 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -8.877 2.082 8.060 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -11.501 -1.037 6.983 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.644 2.552 5.661 1.00 0.00 H new ATOM 841 N LYS A 59 -7.882 -3.166 10.577 1.00 0.00 N ATOM 842 CA LYS A 59 -7.453 -4.017 11.677 1.00 0.00 C ATOM 843 C LYS A 59 -6.395 -5.036 11.215 1.00 0.00 C ATOM 844 O LYS A 59 -5.591 -5.446 12.047 1.00 0.00 O ATOM 845 CB LYS A 59 -8.684 -4.672 12.326 1.00 0.00 C ATOM 846 CG LYS A 59 -8.451 -5.170 13.762 1.00 0.00 C ATOM 847 CD LYS A 59 -8.652 -4.109 14.860 1.00 0.00 C ATOM 848 CE LYS A 59 -7.569 -3.020 14.948 1.00 0.00 C ATOM 849 NZ LYS A 59 -8.003 -1.725 14.368 1.00 0.00 N ATOM 0 H LYS A 59 -7.989 -3.699 9.714 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.962 -3.412 12.439 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.503 -3.953 12.331 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.002 -5.513 11.709 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.126 -6.004 13.955 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.435 -5.559 13.835 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.615 -3.624 14.698 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.709 -4.617 15.823 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.295 -2.871 15.992 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.674 -3.363 14.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.316 -0.985 14.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.059 -1.810 13.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.938 -1.471 14.746 1.00 0.00 H new ATOM 863 N GLY A 60 -6.347 -5.431 9.928 1.00 0.00 N ATOM 864 CA GLY A 60 -5.335 -6.365 9.408 1.00 0.00 C ATOM 865 C GLY A 60 -4.022 -5.634 9.149 1.00 0.00 C ATOM 866 O GLY A 60 -4.003 -4.543 8.577 1.00 0.00 O ATOM 0 H GLY A 60 -7.009 -5.111 9.222 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.175 -7.172 10.122 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.692 -6.822 8.485 1.00 0.00 H new ATOM 870 N LEU A 61 -2.908 -6.257 9.535 1.00 0.00 N ATOM 871 CA LEU A 61 -1.582 -5.649 9.399 1.00 0.00 C ATOM 872 C LEU A 61 -0.439 -6.612 9.106 1.00 0.00 C ATOM 873 O LEU A 61 -0.551 -7.830 9.251 1.00 0.00 O ATOM 874 CB LEU A 61 -1.353 -4.740 10.635 1.00 0.00 C ATOM 875 CG LEU A 61 -0.534 -5.288 11.820 1.00 0.00 C ATOM 876 CD1 LEU A 61 -0.681 -4.295 12.980 1.00 0.00 C ATOM 877 CD2 LEU A 61 -1.015 -6.636 12.372 1.00 0.00 C ATOM 0 H LEU A 61 -2.897 -7.190 9.948 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.573 -5.048 8.490 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.863 -3.830 10.289 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.332 -4.450 11.017 1.00 0.00 H new ATOM 0 HG LEU A 61 0.481 -5.422 11.446 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.112 -4.652 13.839 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.302 -3.320 12.674 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.733 -4.207 13.252 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.376 -6.938 13.202 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.043 -6.540 12.721 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.968 -7.389 11.585 1.00 0.00 H new ATOM 889 N ALA A 62 0.676 -6.009 8.692 1.00 0.00 N ATOM 890 CA ALA A 62 1.906 -6.692 8.393 1.00 0.00 C ATOM 891 C ALA A 62 2.833 -6.436 9.572 1.00 0.00 C ATOM 892 O ALA A 62 3.337 -5.326 9.751 1.00 0.00 O ATOM 893 CB ALA A 62 2.397 -6.203 7.030 1.00 0.00 C ATOM 0 H ALA A 62 0.735 -5.000 8.556 1.00 0.00 H new ATOM 0 HA ALA A 62 1.821 -7.774 8.290 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.331 -6.706 6.778 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.647 -6.428 6.271 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.564 -5.126 7.068 1.00 0.00 H new ATOM 899 N PHE A 63 3.022 -7.451 10.404 1.00 0.00 N ATOM 900 CA PHE A 63 3.848 -7.351 11.605 1.00 0.00 C ATOM 901 C PHE A 63 5.266 -7.910 11.440 1.00 0.00 C ATOM 902 O PHE A 63 6.166 -7.420 12.119 1.00 0.00 O ATOM 903 CB PHE A 63 3.119 -7.967 12.809 1.00 0.00 C ATOM 904 CG PHE A 63 3.272 -9.469 12.964 1.00 0.00 C ATOM 905 CD1 PHE A 63 2.430 -10.352 12.263 1.00 0.00 C ATOM 906 CD2 PHE A 63 4.284 -9.982 13.799 1.00 0.00 C ATOM 907 CE1 PHE A 63 2.609 -11.741 12.391 1.00 0.00 C ATOM 908 CE2 PHE A 63 4.460 -11.371 13.928 1.00 0.00 C ATOM 909 CZ PHE A 63 3.628 -12.249 13.215 1.00 0.00 C ATOM 0 H PHE A 63 2.606 -8.372 10.266 1.00 0.00 H new ATOM 0 HA PHE A 63 3.995 -6.287 11.791 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.483 -7.486 13.717 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.057 -7.733 12.728 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.648 -9.964 11.628 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.927 -9.306 14.342 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.962 -12.419 11.855 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.233 -11.761 14.574 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.771 -13.316 13.300 1.00 0.00 H new ATOM 919 N ALA A 64 5.504 -8.845 10.511 1.00 0.00 N ATOM 920 CA ALA A 64 6.811 -9.473 10.310 1.00 0.00 C ATOM 921 C ALA A 64 7.446 -9.182 8.939 1.00 0.00 C ATOM 922 O ALA A 64 6.802 -9.312 7.902 1.00 0.00 O ATOM 923 CB ALA A 64 6.685 -10.977 10.576 1.00 0.00 C ATOM 0 H ALA A 64 4.786 -9.188 9.873 1.00 0.00 H new ATOM 0 HA ALA A 64 7.503 -9.026 11.024 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.654 -11.455 10.429 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.353 -11.139 11.601 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.959 -11.409 9.887 1.00 0.00 H new ATOM 929 N ALA A 65 8.735 -8.817 8.942 1.00 0.00 N ATOM 930 CA ALA A 65 9.558 -8.531 7.756 1.00 0.00 C ATOM 931 C ALA A 65 9.384 -9.590 6.657 1.00 0.00 C ATOM 932 O ALA A 65 9.789 -10.740 6.827 1.00 0.00 O ATOM 933 CB ALA A 65 11.018 -8.370 8.196 1.00 0.00 C ATOM 0 H ALA A 65 9.258 -8.708 9.811 1.00 0.00 H new ATOM 0 HA ALA A 65 9.223 -7.598 7.304 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.639 -8.158 7.326 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.095 -7.547 8.906 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.359 -9.291 8.669 1.00 0.00 H new ATOM 939 N GLY A 66 8.779 -9.181 5.532 1.00 0.00 N ATOM 940 CA GLY A 66 8.469 -10.027 4.382 1.00 0.00 C ATOM 941 C GLY A 66 6.963 -10.260 4.207 1.00 0.00 C ATOM 942 O GLY A 66 6.557 -10.768 3.164 1.00 0.00 O ATOM 0 H GLY A 66 8.483 -8.214 5.398 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.868 -9.566 3.479 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.970 -10.988 4.498 1.00 0.00 H new ATOM 946 N GLU A 67 6.128 -9.922 5.202 1.00 0.00 N ATOM 947 CA GLU A 67 4.667 -10.107 5.137 1.00 0.00 C ATOM 948 C GLU A 67 3.966 -9.177 4.126 1.00 0.00 C ATOM 949 O GLU A 67 3.558 -8.056 4.435 1.00 0.00 O ATOM 950 CB GLU A 67 3.992 -9.985 6.517 1.00 0.00 C ATOM 951 CG GLU A 67 4.187 -11.230 7.400 1.00 0.00 C ATOM 952 CD GLU A 67 3.479 -11.113 8.763 1.00 0.00 C ATOM 953 OE1 GLU A 67 3.306 -9.961 9.238 1.00 0.00 O ATOM 954 OE2 GLU A 67 3.142 -12.176 9.335 1.00 0.00 O ATOM 0 H GLU A 67 6.447 -9.511 6.079 1.00 0.00 H new ATOM 0 HA GLU A 67 4.542 -11.129 4.778 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.394 -9.114 7.035 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.925 -9.810 6.378 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.808 -12.106 6.873 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.253 -11.391 7.562 1.00 0.00 H new ATOM 961 N SER A 68 3.889 -9.608 2.868 1.00 0.00 N ATOM 962 CA SER A 68 3.217 -8.891 1.794 1.00 0.00 C ATOM 963 C SER A 68 1.745 -9.196 1.819 1.00 0.00 C ATOM 964 O SER A 68 1.372 -10.294 2.243 1.00 0.00 O ATOM 965 CB SER A 68 3.790 -9.340 0.440 1.00 0.00 C ATOM 966 OG SER A 68 3.417 -10.669 0.130 1.00 0.00 O ATOM 0 H SER A 68 4.304 -10.489 2.563 1.00 0.00 H new ATOM 0 HA SER A 68 3.374 -7.821 1.931 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.438 -8.670 -0.345 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.877 -9.262 0.461 1.00 0.00 H new ATOM 0 HG SER A 68 3.797 -10.921 -0.738 1.00 0.00 H new ATOM 972 N PHE A 69 0.962 -8.283 1.233 1.00 0.00 N ATOM 973 CA PHE A 69 -0.464 -8.574 1.208 1.00 0.00 C ATOM 974 C PHE A 69 -0.912 -8.705 -0.263 1.00 0.00 C ATOM 975 O PHE A 69 -1.854 -9.445 -0.510 1.00 0.00 O ATOM 976 CB PHE A 69 -1.332 -7.534 1.951 1.00 0.00 C ATOM 977 CG PHE A 69 -2.083 -6.534 1.123 1.00 0.00 C ATOM 978 CD1 PHE A 69 -1.465 -5.472 0.463 1.00 0.00 C ATOM 979 CD2 PHE A 69 -3.474 -6.739 1.007 1.00 0.00 C ATOM 980 CE1 PHE A 69 -2.268 -4.583 -0.261 1.00 0.00 C ATOM 981 CE2 PHE A 69 -4.261 -5.868 0.246 1.00 0.00 C ATOM 982 CZ PHE A 69 -3.650 -4.771 -0.370 1.00 0.00 C ATOM 0 H PHE A 69 1.262 -7.408 0.804 1.00 0.00 H new ATOM 0 HA PHE A 69 -0.615 -9.509 1.748 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.055 -8.075 2.561 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.685 -6.985 2.635 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.394 -5.339 0.509 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.935 -7.576 1.510 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -1.811 -3.733 -0.746 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.322 -6.040 0.136 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.247 -4.067 -0.931 1.00 0.00 H new ATOM 992 N THR A 70 -0.193 -8.048 -1.202 1.00 0.00 N ATOM 993 CA THR A 70 -0.369 -7.928 -2.666 1.00 0.00 C ATOM 994 C THR A 70 -1.782 -7.584 -3.171 1.00 0.00 C ATOM 995 O THR A 70 -2.780 -8.134 -2.718 1.00 0.00 O ATOM 996 CB THR A 70 0.219 -9.183 -3.359 1.00 0.00 C ATOM 997 OG1 THR A 70 0.246 -8.985 -4.752 1.00 0.00 O ATOM 998 CG2 THR A 70 -0.515 -10.505 -3.129 1.00 0.00 C ATOM 0 H THR A 70 0.631 -7.522 -0.911 1.00 0.00 H new ATOM 0 HA THR A 70 0.191 -7.037 -2.952 1.00 0.00 H new ATOM 0 HB THR A 70 1.202 -9.284 -2.900 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.620 -9.779 -5.188 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.004 -11.303 -3.667 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.526 -10.735 -2.064 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.539 -10.420 -3.492 1.00 0.00 H new ATOM 1006 N SER A 71 -1.885 -6.691 -4.175 1.00 0.00 N ATOM 1007 CA SER A 71 -3.161 -6.238 -4.722 1.00 0.00 C ATOM 1008 C SER A 71 -3.146 -6.213 -6.250 1.00 0.00 C ATOM 1009 O SER A 71 -2.102 -6.049 -6.871 1.00 0.00 O ATOM 1010 CB SER A 71 -3.479 -4.872 -4.115 1.00 0.00 C ATOM 1011 OG SER A 71 -2.557 -3.878 -4.487 1.00 0.00 O ATOM 0 H SER A 71 -1.075 -6.266 -4.626 1.00 0.00 H new ATOM 0 HA SER A 71 -3.951 -6.940 -4.455 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.479 -4.567 -4.424 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.494 -4.958 -3.028 1.00 0.00 H new ATOM 0 HG SER A 71 -3.031 -3.139 -4.922 1.00 0.00 H new ATOM 1017 N THR A 72 -4.326 -6.372 -6.845 1.00 0.00 N ATOM 1018 CA THR A 72 -4.581 -6.432 -8.293 1.00 0.00 C ATOM 1019 C THR A 72 -5.915 -5.748 -8.606 1.00 0.00 C ATOM 1020 O THR A 72 -6.965 -6.246 -8.210 1.00 0.00 O ATOM 1021 CB THR A 72 -4.609 -7.891 -8.794 1.00 0.00 C ATOM 1022 OG1 THR A 72 -3.472 -8.624 -8.385 1.00 0.00 O ATOM 1023 CG2 THR A 72 -4.655 -7.958 -10.323 1.00 0.00 C ATOM 0 H THR A 72 -5.184 -6.469 -6.302 1.00 0.00 H new ATOM 0 HA THR A 72 -3.772 -5.914 -8.807 1.00 0.00 H new ATOM 0 HB THR A 72 -5.508 -8.326 -8.358 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.535 -9.541 -8.724 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.674 -9.000 -10.641 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.551 -7.453 -10.683 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.773 -7.469 -10.735 1.00 0.00 H new ATOM 1031 N PHE A 73 -5.874 -4.606 -9.295 1.00 0.00 N ATOM 1032 CA PHE A 73 -7.011 -3.765 -9.664 1.00 0.00 C ATOM 1033 C PHE A 73 -7.007 -3.245 -11.117 1.00 0.00 C ATOM 1034 O PHE A 73 -5.968 -3.091 -11.756 1.00 0.00 O ATOM 1035 CB PHE A 73 -7.176 -2.709 -8.549 1.00 0.00 C ATOM 1036 CG PHE A 73 -5.982 -2.247 -7.732 1.00 0.00 C ATOM 1037 CD1 PHE A 73 -4.851 -1.635 -8.295 1.00 0.00 C ATOM 1038 CD2 PHE A 73 -6.038 -2.460 -6.340 1.00 0.00 C ATOM 1039 CE1 PHE A 73 -3.797 -1.227 -7.456 1.00 0.00 C ATOM 1040 CE2 PHE A 73 -4.995 -2.038 -5.502 1.00 0.00 C ATOM 1041 CZ PHE A 73 -3.866 -1.426 -6.064 1.00 0.00 C ATOM 0 H PHE A 73 -4.991 -4.221 -9.630 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.920 -4.365 -9.708 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -7.611 -1.822 -9.010 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.913 -3.098 -7.847 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.790 -1.479 -9.362 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.897 -2.956 -5.912 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.925 -0.756 -7.885 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.061 -2.183 -4.434 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.051 -1.108 -5.431 1.00 0.00 H new ATOM 1051 N THR A 74 -8.217 -2.949 -11.631 1.00 0.00 N ATOM 1052 CA THR A 74 -8.461 -2.509 -13.019 1.00 0.00 C ATOM 1053 C THR A 74 -9.436 -1.346 -13.273 1.00 0.00 C ATOM 1054 O THR A 74 -9.892 -1.180 -14.405 1.00 0.00 O ATOM 1055 CB THR A 74 -8.947 -3.764 -13.787 1.00 0.00 C ATOM 1056 OG1 THR A 74 -9.041 -3.511 -15.165 1.00 0.00 O ATOM 1057 CG2 THR A 74 -10.317 -4.289 -13.344 1.00 0.00 C ATOM 0 H THR A 74 -9.073 -3.011 -11.079 1.00 0.00 H new ATOM 0 HA THR A 74 -7.516 -2.083 -13.357 1.00 0.00 H new ATOM 0 HB THR A 74 -8.194 -4.518 -13.558 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.405 -2.613 -15.309 1.00 0.00 H new ATOM 0 HG21 THR A 74 -10.578 -5.168 -13.934 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.279 -4.558 -12.288 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.069 -3.515 -13.494 1.00 0.00 H new ATOM 1065 N GLU A 75 -9.772 -0.551 -12.264 1.00 0.00 N ATOM 1066 CA GLU A 75 -10.727 0.560 -12.334 1.00 0.00 C ATOM 1067 C GLU A 75 -10.115 1.946 -12.638 1.00 0.00 C ATOM 1068 O GLU A 75 -9.690 2.639 -11.716 1.00 0.00 O ATOM 1069 CB GLU A 75 -11.613 0.540 -11.066 1.00 0.00 C ATOM 1070 CG GLU A 75 -11.026 0.892 -9.690 1.00 0.00 C ATOM 1071 CD GLU A 75 -10.589 -0.367 -8.933 1.00 0.00 C ATOM 1072 OE1 GLU A 75 -9.657 -1.017 -9.473 1.00 0.00 O ATOM 1073 OE2 GLU A 75 -11.162 -0.690 -7.869 1.00 0.00 O ATOM 0 H GLU A 75 -9.372 -0.664 -11.333 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.349 0.394 -13.213 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -12.443 1.224 -11.244 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -12.036 -0.461 -10.987 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.172 1.558 -9.816 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.768 1.433 -9.103 1.00 0.00 H new ATOM 1080 N PRO A 76 -10.108 2.394 -13.919 1.00 0.00 N ATOM 1081 CA PRO A 76 -9.520 3.666 -14.349 1.00 0.00 C ATOM 1082 C PRO A 76 -9.824 4.823 -13.382 1.00 0.00 C ATOM 1083 O PRO A 76 -10.983 5.158 -13.103 1.00 0.00 O ATOM 1084 CB PRO A 76 -9.938 3.886 -15.809 1.00 0.00 C ATOM 1085 CG PRO A 76 -10.992 2.821 -16.076 1.00 0.00 C ATOM 1086 CD PRO A 76 -10.627 1.713 -15.094 1.00 0.00 C ATOM 0 HA PRO A 76 -8.431 3.631 -14.312 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -10.341 4.888 -15.958 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.089 3.780 -16.484 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -11.999 3.199 -15.900 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -10.958 2.471 -17.108 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -11.498 1.107 -14.844 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.882 1.041 -15.519 1.00 0.00 H new ATOM 1094 N GLY A 77 -8.741 5.376 -12.816 1.00 0.00 N ATOM 1095 CA GLY A 77 -8.790 6.443 -11.832 1.00 0.00 C ATOM 1096 C GLY A 77 -7.497 6.563 -11.013 1.00 0.00 C ATOM 1097 O GLY A 77 -6.387 6.279 -11.460 1.00 0.00 O ATOM 0 H GLY A 77 -7.791 5.080 -13.041 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.982 7.389 -12.339 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.627 6.268 -11.156 1.00 0.00 H new ATOM 1101 N THR A 78 -7.642 7.060 -9.786 1.00 0.00 N ATOM 1102 CA THR A 78 -6.557 7.219 -8.819 1.00 0.00 C ATOM 1103 C THR A 78 -7.104 6.975 -7.415 1.00 0.00 C ATOM 1104 O THR A 78 -7.963 7.720 -6.954 1.00 0.00 O ATOM 1105 CB THR A 78 -5.857 8.589 -8.969 1.00 0.00 C ATOM 1106 OG1 THR A 78 -4.950 8.789 -7.908 1.00 0.00 O ATOM 1107 CG2 THR A 78 -6.788 9.807 -8.995 1.00 0.00 C ATOM 0 H THR A 78 -8.544 7.372 -9.427 1.00 0.00 H new ATOM 0 HA THR A 78 -5.781 6.479 -9.012 1.00 0.00 H new ATOM 0 HB THR A 78 -5.370 8.531 -9.942 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.567 7.928 -7.639 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.196 10.716 -9.103 1.00 0.00 H new ATOM 0 HG22 THR A 78 -7.477 9.721 -9.835 1.00 0.00 H new ATOM 0 HG23 THR A 78 -7.354 9.852 -8.065 1.00 0.00 H new ATOM 1115 N TYR A 79 -6.598 5.948 -6.727 1.00 0.00 N ATOM 1116 CA TYR A 79 -7.049 5.564 -5.399 1.00 0.00 C ATOM 1117 C TYR A 79 -5.920 5.560 -4.385 1.00 0.00 C ATOM 1118 O TYR A 79 -4.771 5.197 -4.634 1.00 0.00 O ATOM 1119 CB TYR A 79 -7.908 4.263 -5.461 1.00 0.00 C ATOM 1120 CG TYR A 79 -7.686 3.214 -6.539 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -7.940 3.598 -7.869 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -7.525 1.839 -6.255 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -7.892 2.670 -8.909 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -7.482 0.898 -7.298 1.00 0.00 C ATOM 1125 CZ TYR A 79 -7.637 1.320 -8.630 1.00 0.00 C ATOM 1126 OH TYR A 79 -7.613 0.416 -9.635 1.00 0.00 O ATOM 0 H TYR A 79 -5.852 5.354 -7.088 1.00 0.00 H new ATOM 0 HA TYR A 79 -7.723 6.331 -5.018 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -7.791 3.760 -4.501 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.950 4.575 -5.532 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -8.176 4.629 -8.088 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.434 1.509 -5.231 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -8.051 2.991 -9.928 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -7.330 -0.148 -7.076 1.00 0.00 H new ATOM 0 HH TYR A 79 -8.522 0.094 -9.807 1.00 0.00 H new ATOM 1136 N THR A 80 -6.278 6.180 -3.263 1.00 0.00 N ATOM 1137 CA THR A 80 -5.502 6.462 -2.061 1.00 0.00 C ATOM 1138 C THR A 80 -5.451 5.325 -1.044 1.00 0.00 C ATOM 1139 O THR A 80 -6.411 4.569 -0.907 1.00 0.00 O ATOM 1140 CB THR A 80 -6.110 7.709 -1.379 1.00 0.00 C ATOM 1141 OG1 THR A 80 -6.786 8.560 -2.289 1.00 0.00 O ATOM 1142 CG2 THR A 80 -5.064 8.563 -0.666 1.00 0.00 C ATOM 0 H THR A 80 -7.228 6.537 -3.165 1.00 0.00 H new ATOM 0 HA THR A 80 -4.473 6.614 -2.388 1.00 0.00 H new ATOM 0 HB THR A 80 -6.814 7.296 -0.657 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.738 8.329 -2.308 1.00 0.00 H new ATOM 0 HG21 THR A 80 -5.549 9.424 -0.206 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.573 7.969 0.105 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.322 8.907 -1.387 1.00 0.00 H new ATOM 1150 N TYR A 81 -4.356 5.266 -0.279 1.00 0.00 N ATOM 1151 CA TYR A 81 -4.127 4.288 0.782 1.00 0.00 C ATOM 1152 C TYR A 81 -3.159 4.847 1.806 1.00 0.00 C ATOM 1153 O TYR A 81 -2.454 5.823 1.555 1.00 0.00 O ATOM 1154 CB TYR A 81 -3.597 2.957 0.218 1.00 0.00 C ATOM 1155 CG TYR A 81 -2.479 3.182 -0.769 1.00 0.00 C ATOM 1156 CD1 TYR A 81 -1.145 3.346 -0.350 1.00 0.00 C ATOM 1157 CD2 TYR A 81 -2.842 3.460 -2.090 1.00 0.00 C ATOM 1158 CE1 TYR A 81 -0.188 3.877 -1.242 1.00 0.00 C ATOM 1159 CE2 TYR A 81 -1.901 4.007 -2.963 1.00 0.00 C ATOM 1160 CZ TYR A 81 -0.573 4.224 -2.554 1.00 0.00 C ATOM 1161 OH TYR A 81 0.308 4.767 -3.441 1.00 0.00 O ATOM 0 H TYR A 81 -3.581 5.920 -0.387 1.00 0.00 H new ATOM 0 HA TYR A 81 -5.083 4.087 1.265 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.241 2.330 1.036 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -4.410 2.417 -0.268 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.854 3.066 0.652 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.845 3.253 -2.433 1.00 0.00 H new ATOM 0 HE1 TYR A 81 0.834 4.017 -0.921 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -2.197 4.268 -3.968 1.00 0.00 H new ATOM 0 HH TYR A 81 0.794 5.502 -3.011 1.00 0.00 H new ATOM 1171 N TYR A 82 -3.140 4.239 2.981 1.00 0.00 N ATOM 1172 CA TYR A 82 -2.316 4.649 4.102 1.00 0.00 C ATOM 1173 C TYR A 82 -2.149 3.488 5.087 1.00 0.00 C ATOM 1174 O TYR A 82 -2.858 2.481 5.022 1.00 0.00 O ATOM 1175 CB TYR A 82 -2.968 5.877 4.770 1.00 0.00 C ATOM 1176 CG TYR A 82 -4.465 5.814 5.050 1.00 0.00 C ATOM 1177 CD1 TYR A 82 -4.920 5.317 6.285 1.00 0.00 C ATOM 1178 CD2 TYR A 82 -5.401 6.297 4.105 1.00 0.00 C ATOM 1179 CE1 TYR A 82 -6.296 5.324 6.579 1.00 0.00 C ATOM 1180 CE2 TYR A 82 -6.782 6.290 4.397 1.00 0.00 C ATOM 1181 CZ TYR A 82 -7.230 5.815 5.649 1.00 0.00 C ATOM 1182 OH TYR A 82 -8.548 5.846 6.004 1.00 0.00 O ATOM 0 H TYR A 82 -3.716 3.422 3.185 1.00 0.00 H new ATOM 0 HA TYR A 82 -1.319 4.926 3.759 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.456 6.057 5.715 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.781 6.744 4.136 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.215 4.931 7.006 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.056 6.674 3.153 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.639 4.947 7.531 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.493 6.646 3.666 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.078 6.210 5.264 1.00 0.00 H new ATOM 1192 N CYS A 83 -1.164 3.632 5.969 1.00 0.00 N ATOM 1193 CA CYS A 83 -0.889 2.653 7.016 1.00 0.00 C ATOM 1194 C CYS A 83 -1.517 3.195 8.301 1.00 0.00 C ATOM 1195 O CYS A 83 -0.949 4.113 8.887 1.00 0.00 O ATOM 1196 CB CYS A 83 0.624 2.495 7.153 1.00 0.00 C ATOM 1197 SG CYS A 83 1.215 1.565 8.586 1.00 0.00 S ATOM 0 H CYS A 83 -0.532 4.433 5.978 1.00 0.00 H new ATOM 0 HA CYS A 83 -1.306 1.672 6.790 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.998 2.008 6.253 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.069 3.490 7.185 1.00 0.00 H new ATOM 0 HG CYS A 83 2.487 1.332 8.457 1.00 0.00 H new ATOM 1202 N GLU A 84 -2.656 2.668 8.766 1.00 0.00 N ATOM 1203 CA GLU A 84 -3.349 3.174 9.972 1.00 0.00 C ATOM 1204 C GLU A 84 -2.469 3.680 11.137 1.00 0.00 C ATOM 1205 O GLU A 84 -2.544 4.875 11.443 1.00 0.00 O ATOM 1206 CB GLU A 84 -4.382 2.160 10.512 1.00 0.00 C ATOM 1207 CG GLU A 84 -5.613 1.919 9.637 1.00 0.00 C ATOM 1208 CD GLU A 84 -6.517 3.137 9.422 1.00 0.00 C ATOM 1209 OE1 GLU A 84 -6.111 4.289 9.711 1.00 0.00 O ATOM 1210 OE2 GLU A 84 -7.648 2.908 8.933 1.00 0.00 O ATOM 0 H GLU A 84 -3.128 1.880 8.323 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.841 4.068 9.587 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.878 1.206 10.664 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.719 2.502 11.490 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.280 1.559 8.664 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.206 1.123 10.086 1.00 0.00 H new ATOM 1217 N PRO A 85 -1.598 2.848 11.751 1.00 0.00 N ATOM 1218 CA PRO A 85 -0.777 3.268 12.884 1.00 0.00 C ATOM 1219 C PRO A 85 0.274 4.322 12.535 1.00 0.00 C ATOM 1220 O PRO A 85 0.943 4.821 13.434 1.00 0.00 O ATOM 1221 CB PRO A 85 -0.132 1.986 13.418 1.00 0.00 C ATOM 1222 CG PRO A 85 0.001 1.128 12.164 1.00 0.00 C ATOM 1223 CD PRO A 85 -1.288 1.462 11.416 1.00 0.00 C ATOM 0 HA PRO A 85 -1.399 3.763 13.629 1.00 0.00 H new ATOM 0 HB2 PRO A 85 0.836 2.182 13.879 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -0.753 1.505 14.173 1.00 0.00 H new ATOM 0 HG2 PRO A 85 0.888 1.386 11.585 1.00 0.00 H new ATOM 0 HG3 PRO A 85 0.072 0.066 12.401 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -1.158 1.340 10.341 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -2.098 0.797 11.717 1.00 0.00 H new ATOM 1231 N HIS A 86 0.484 4.653 11.262 1.00 0.00 N ATOM 1232 CA HIS A 86 1.467 5.648 10.837 1.00 0.00 C ATOM 1233 C HIS A 86 0.851 6.751 9.953 1.00 0.00 C ATOM 1234 O HIS A 86 1.559 7.658 9.508 1.00 0.00 O ATOM 1235 CB HIS A 86 2.614 4.906 10.143 1.00 0.00 C ATOM 1236 CG HIS A 86 3.275 3.801 10.932 1.00 0.00 C ATOM 1237 ND1 HIS A 86 3.297 3.633 12.301 1.00 0.00 N ATOM 1238 CD2 HIS A 86 3.978 2.766 10.381 1.00 0.00 C ATOM 1239 CE1 HIS A 86 4.047 2.548 12.563 1.00 0.00 C ATOM 1240 NE2 HIS A 86 4.466 1.989 11.421 1.00 0.00 N ATOM 0 H HIS A 86 -0.030 4.233 10.488 1.00 0.00 H new ATOM 0 HA HIS A 86 1.850 6.180 11.708 1.00 0.00 H new ATOM 0 HB2 HIS A 86 2.233 4.482 9.214 1.00 0.00 H new ATOM 0 HB3 HIS A 86 3.377 5.635 9.871 1.00 0.00 H new ATOM 0 HD1 HIS A 86 2.830 4.224 12.989 1.00 0.00 H new ATOM 0 HD2 HIS A 86 4.126 2.586 9.327 1.00 0.00 H new ATOM 0 HE1 HIS A 86 4.278 2.181 13.552 1.00 0.00 H new ATOM 1248 N ARG A 87 -0.472 6.679 9.728 1.00 0.00 N ATOM 1249 CA ARG A 87 -1.301 7.558 8.900 1.00 0.00 C ATOM 1250 C ARG A 87 -0.941 9.022 9.113 1.00 0.00 C ATOM 1251 O ARG A 87 -0.474 9.674 8.185 1.00 0.00 O ATOM 1252 CB ARG A 87 -2.784 7.265 9.202 1.00 0.00 C ATOM 1253 CG ARG A 87 -3.768 8.079 8.343 1.00 0.00 C ATOM 1254 CD ARG A 87 -5.057 8.428 9.099 1.00 0.00 C ATOM 1255 NE ARG A 87 -5.853 7.257 9.521 1.00 0.00 N ATOM 1256 CZ ARG A 87 -7.015 7.330 10.152 1.00 0.00 C ATOM 1257 NH1 ARG A 87 -7.523 8.471 10.554 1.00 0.00 N ATOM 1258 NH2 ARG A 87 -7.695 6.242 10.385 1.00 0.00 N ATOM 0 H ARG A 87 -1.031 5.942 10.158 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.114 7.357 7.845 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.973 6.203 9.046 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.978 7.472 10.254 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.284 8.998 8.013 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.018 7.512 7.447 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.799 9.014 9.981 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.675 9.063 8.464 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.483 6.330 9.312 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.020 9.342 10.383 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.421 8.487 11.037 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.332 5.339 10.082 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.590 6.294 10.871 1.00 0.00 H new ATOM 1272 N GLY A 88 -1.071 9.498 10.352 1.00 0.00 N ATOM 1273 CA GLY A 88 -0.759 10.870 10.766 1.00 0.00 C ATOM 1274 C GLY A 88 0.726 11.238 10.809 1.00 0.00 C ATOM 1275 O GLY A 88 1.053 12.411 10.973 1.00 0.00 O ATOM 0 H GLY A 88 -1.408 8.921 11.122 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.263 11.557 10.086 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.182 11.034 11.757 1.00 0.00 H new ATOM 1279 N ALA A 89 1.613 10.243 10.695 1.00 0.00 N ATOM 1280 CA ALA A 89 3.065 10.406 10.666 1.00 0.00 C ATOM 1281 C ALA A 89 3.597 10.519 9.232 1.00 0.00 C ATOM 1282 O ALA A 89 4.756 10.884 9.052 1.00 0.00 O ATOM 1283 CB ALA A 89 3.734 9.259 11.435 1.00 0.00 C ATOM 0 H ALA A 89 1.325 9.267 10.618 1.00 0.00 H new ATOM 0 HA ALA A 89 3.317 11.344 11.161 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.816 9.386 11.410 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.392 9.267 12.470 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.470 8.308 10.973 1.00 0.00 H new ATOM 1289 N GLY A 90 2.761 10.231 8.222 1.00 0.00 N ATOM 1290 CA GLY A 90 3.139 10.347 6.816 1.00 0.00 C ATOM 1291 C GLY A 90 3.107 9.050 6.012 1.00 0.00 C ATOM 1292 O GLY A 90 3.416 9.094 4.818 1.00 0.00 O ATOM 0 H GLY A 90 1.803 9.911 8.364 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.473 11.066 6.338 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.146 10.761 6.763 1.00 0.00 H new ATOM 1296 N MET A 91 2.751 7.903 6.609 1.00 0.00 N ATOM 1297 CA MET A 91 2.668 6.656 5.846 1.00 0.00 C ATOM 1298 C MET A 91 1.313 6.628 5.124 1.00 0.00 C ATOM 1299 O MET A 91 0.365 5.947 5.516 1.00 0.00 O ATOM 1300 CB MET A 91 2.910 5.440 6.733 1.00 0.00 C ATOM 1301 CG MET A 91 3.274 4.217 5.867 1.00 0.00 C ATOM 1302 SD MET A 91 4.170 2.900 6.727 1.00 0.00 S ATOM 1303 CE MET A 91 4.523 1.790 5.345 1.00 0.00 C ATOM 0 H MET A 91 2.521 7.816 7.599 1.00 0.00 H new ATOM 0 HA MET A 91 3.458 6.614 5.096 1.00 0.00 H new ATOM 0 HB2 MET A 91 3.715 5.649 7.438 1.00 0.00 H new ATOM 0 HB3 MET A 91 2.018 5.226 7.322 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.356 3.799 5.453 1.00 0.00 H new ATOM 0 HG3 MET A 91 3.878 4.555 5.025 1.00 0.00 H new ATOM 0 HE1 MET A 91 5.193 0.997 5.677 1.00 0.00 H new ATOM 0 HE2 MET A 91 3.593 1.352 4.984 1.00 0.00 H new ATOM 0 HE3 MET A 91 4.997 2.351 4.539 1.00 0.00 H new ATOM 1313 N VAL A 92 1.222 7.445 4.080 1.00 0.00 N ATOM 1314 CA VAL A 92 0.087 7.702 3.205 1.00 0.00 C ATOM 1315 C VAL A 92 0.614 7.884 1.775 1.00 0.00 C ATOM 1316 O VAL A 92 1.735 8.350 1.560 1.00 0.00 O ATOM 1317 CB VAL A 92 -0.724 8.902 3.749 1.00 0.00 C ATOM 1318 CG1 VAL A 92 0.075 10.207 3.852 1.00 0.00 C ATOM 1319 CG2 VAL A 92 -1.984 9.189 2.910 1.00 0.00 C ATOM 0 H VAL A 92 2.029 8.002 3.798 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.611 6.865 3.181 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.000 8.585 4.755 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.567 10.997 4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.922 10.063 4.523 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.439 10.490 2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.517 10.040 3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.694 9.417 1.884 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.633 8.314 2.918 1.00 0.00 H new ATOM 1329 N GLY A 93 -0.189 7.474 0.788 1.00 0.00 N ATOM 1330 CA GLY A 93 0.168 7.522 -0.636 1.00 0.00 C ATOM 1331 C GLY A 93 -1.038 7.500 -1.586 1.00 0.00 C ATOM 1332 O GLY A 93 -2.186 7.399 -1.142 1.00 0.00 O ATOM 0 H GLY A 93 -1.120 7.093 0.957 1.00 0.00 H new ATOM 0 HA2 GLY A 93 0.748 8.425 -0.824 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.814 6.675 -0.866 1.00 0.00 H new ATOM 1336 N LYS A 94 -0.766 7.548 -2.905 1.00 0.00 N ATOM 1337 CA LYS A 94 -1.798 7.498 -3.960 1.00 0.00 C ATOM 1338 C LYS A 94 -1.333 6.800 -5.250 1.00 0.00 C ATOM 1339 O LYS A 94 -0.276 7.109 -5.794 1.00 0.00 O ATOM 1340 CB LYS A 94 -2.318 8.919 -4.253 1.00 0.00 C ATOM 1341 CG LYS A 94 -3.792 8.867 -4.680 1.00 0.00 C ATOM 1342 CD LYS A 94 -4.363 10.259 -5.010 1.00 0.00 C ATOM 1343 CE LYS A 94 -5.869 10.415 -4.724 1.00 0.00 C ATOM 1344 NZ LYS A 94 -6.674 9.240 -5.115 1.00 0.00 N ATOM 0 H LYS A 94 0.183 7.623 -3.271 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.611 6.883 -3.575 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.211 9.543 -3.366 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.720 9.378 -5.040 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -3.891 8.222 -5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.382 8.416 -3.882 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.817 11.007 -4.435 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.182 10.472 -6.064 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.010 10.602 -3.660 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.241 11.292 -5.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.683 9.448 -4.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.504 9.020 -6.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.403 8.423 -4.531 1.00 0.00 H new ATOM 1358 N VAL A 95 -2.158 5.878 -5.754 1.00 0.00 N ATOM 1359 CA VAL A 95 -1.973 5.091 -6.981 1.00 0.00 C ATOM 1360 C VAL A 95 -2.744 5.764 -8.093 1.00 0.00 C ATOM 1361 O VAL A 95 -3.725 6.475 -7.849 1.00 0.00 O ATOM 1362 CB VAL A 95 -2.547 3.654 -6.807 1.00 0.00 C ATOM 1363 CG1 VAL A 95 -2.776 2.853 -8.091 1.00 0.00 C ATOM 1364 CG2 VAL A 95 -1.618 2.756 -5.964 1.00 0.00 C ATOM 0 H VAL A 95 -3.033 5.644 -5.285 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.908 5.029 -7.205 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.506 3.867 -6.335 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.177 1.871 -7.841 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.484 3.382 -8.729 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.830 2.735 -8.620 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.059 1.764 -5.869 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.647 2.676 -6.453 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.491 3.193 -4.973 1.00 0.00 H new ATOM 1374 N VAL A 96 -2.305 5.500 -9.315 1.00 0.00 N ATOM 1375 CA VAL A 96 -2.934 5.988 -10.512 1.00 0.00 C ATOM 1376 C VAL A 96 -3.056 4.778 -11.394 1.00 0.00 C ATOM 1377 O VAL A 96 -2.066 4.068 -11.607 1.00 0.00 O ATOM 1378 CB VAL A 96 -2.133 7.088 -11.198 1.00 0.00 C ATOM 1379 CG1 VAL A 96 -2.897 7.587 -12.432 1.00 0.00 C ATOM 1380 CG2 VAL A 96 -1.855 8.277 -10.271 1.00 0.00 C ATOM 0 H VAL A 96 -1.481 4.926 -9.495 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.896 6.449 -10.289 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.174 6.656 -11.484 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.323 8.374 -12.922 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.046 6.760 -13.127 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.866 7.982 -12.125 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.282 9.032 -10.809 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.799 8.708 -9.938 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.286 7.938 -9.405 1.00 0.00 H new ATOM 1390 N VAL A 97 -4.282 4.515 -11.840 1.00 0.00 N ATOM 1391 CA VAL A 97 -4.537 3.409 -12.738 1.00 0.00 C ATOM 1392 C VAL A 97 -5.218 3.835 -14.024 1.00 0.00 C ATOM 1393 O VAL A 97 -6.129 4.667 -14.001 1.00 0.00 O ATOM 1394 CB VAL A 97 -5.311 2.256 -12.091 1.00 0.00 C ATOM 1395 CG1 VAL A 97 -4.957 2.070 -10.624 1.00 0.00 C ATOM 1396 CG2 VAL A 97 -6.819 2.283 -12.280 1.00 0.00 C ATOM 0 H VAL A 97 -5.109 5.057 -11.590 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.544 3.036 -12.986 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.970 1.386 -12.652 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.533 1.241 -10.213 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.893 1.854 -10.531 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -5.191 2.982 -10.075 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.264 1.422 -11.781 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.223 3.200 -11.850 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.053 2.247 -13.344 1.00 0.00 H new ATOM 1406 N GLU A 98 -4.764 3.152 -15.083 1.00 0.00 N ATOM 1407 CA GLU A 98 -5.098 3.134 -16.521 1.00 0.00 C ATOM 1408 C GLU A 98 -3.942 3.431 -17.492 1.00 0.00 C ATOM 1409 O GLU A 98 -2.763 3.588 -17.098 1.00 0.00 O ATOM 1410 CB GLU A 98 -6.291 4.049 -16.862 1.00 0.00 C ATOM 1411 CG GLU A 98 -5.887 5.541 -16.897 1.00 0.00 C ATOM 1412 CD GLU A 98 -7.032 6.501 -16.557 1.00 0.00 C ATOM 1413 OE1 GLU A 98 -8.192 6.189 -16.917 1.00 0.00 O ATOM 1414 OE2 GLU A 98 -6.729 7.575 -15.987 1.00 0.00 O ATOM 1415 OXT GLU A 98 -4.198 3.336 -18.718 1.00 0.00 O ATOM 0 H GLU A 98 -4.018 2.476 -14.919 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.364 2.089 -16.680 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.702 3.762 -17.830 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.081 3.905 -16.125 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -5.069 5.703 -16.195 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.507 5.781 -17.890 1.00 0.00 H new TER 1422 GLU A 98