USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 702 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 33 THR OG1 : rot 133:sc= 1.43 USER MOD Set 1.2: A 35 THR OG1 : rot 180:sc= 0.796 USER MOD Set 2.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 13 ASN : amide:sc= 0.973 K(o=1.9,f=1.2) USER MOD Set 2.3: A 25 TYR OH : rot -167:sc= 0.907 USER MOD Single : A 1 GLY N :NH3+ -142:sc= 0.0853 (180deg=0) USER MOD Single : A 2 SER OG : rot 9:sc= 1.2 USER MOD Single : A 5 SER OG : rot 77:sc= 1.18 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 91:sc= 1.27 USER MOD Single : A 26 SER OG : rot 39:sc= 0.725 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0305 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0.543 K(o=0.54,f=-4.8!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 82:sc= 0.466 USER MOD Single : A 65 GLN : amide:sc= -0.0374 K(o=-0.037,f=-0.6) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -162:sc= 0.602 (180deg=-0.18) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -50:sc= 0.386 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.347 -5.840 6.263 1.00 0.00 N ATOM 2 CA GLY A 1 -13.848 -6.057 7.633 1.00 0.00 C ATOM 3 C GLY A 1 -12.383 -6.458 7.602 1.00 0.00 C ATOM 4 O GLY A 1 -11.682 -6.102 6.651 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.002 -5.032 6.256 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.547 -5.642 5.629 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.845 -6.692 5.936 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.971 -5.147 8.221 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.435 -6.834 8.122 1.00 0.00 H new ATOM 8 N SER A 2 -11.882 -7.159 8.627 1.00 0.00 N ATOM 9 CA SER A 2 -10.503 -7.633 8.592 1.00 0.00 C ATOM 10 C SER A 2 -10.361 -8.618 7.429 1.00 0.00 C ATOM 11 O SER A 2 -11.263 -9.423 7.168 1.00 0.00 O ATOM 12 CB SER A 2 -10.115 -8.250 9.940 1.00 0.00 C ATOM 13 OG SER A 2 -8.783 -8.727 9.914 1.00 0.00 O ATOM 0 H SER A 2 -12.401 -7.404 9.470 1.00 0.00 H new ATOM 0 HA SER A 2 -9.814 -6.804 8.427 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.223 -7.506 10.729 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.794 -9.069 10.178 1.00 0.00 H new ATOM 0 HG SER A 2 -8.345 -8.430 9.089 1.00 0.00 H new ATOM 19 N SER A 3 -9.232 -8.558 6.727 1.00 0.00 N ATOM 20 CA SER A 3 -8.977 -9.370 5.550 1.00 0.00 C ATOM 21 C SER A 3 -7.472 -9.577 5.387 1.00 0.00 C ATOM 22 O SER A 3 -6.839 -9.047 4.463 1.00 0.00 O ATOM 23 CB SER A 3 -9.681 -8.756 4.330 1.00 0.00 C ATOM 24 OG SER A 3 -9.481 -7.359 4.205 1.00 0.00 O ATOM 0 H SER A 3 -8.461 -7.934 6.967 1.00 0.00 H new ATOM 0 HA SER A 3 -9.403 -10.367 5.659 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.321 -9.249 3.427 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.750 -8.957 4.398 1.00 0.00 H new ATOM 0 HG SER A 3 -9.952 -7.031 3.411 1.00 0.00 H new ATOM 30 N GLY A 4 -6.913 -10.379 6.295 1.00 0.00 N ATOM 31 CA GLY A 4 -5.560 -10.899 6.225 1.00 0.00 C ATOM 32 C GLY A 4 -5.525 -12.387 6.590 1.00 0.00 C ATOM 33 O GLY A 4 -6.548 -13.073 6.470 1.00 0.00 O ATOM 0 H GLY A 4 -7.414 -10.691 7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.164 -10.758 5.219 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.916 -10.339 6.903 1.00 0.00 H new ATOM 37 N SER A 5 -4.340 -12.860 7.010 1.00 0.00 N ATOM 38 CA SER A 5 -3.827 -14.223 7.250 1.00 0.00 C ATOM 39 C SER A 5 -2.560 -14.384 6.382 1.00 0.00 C ATOM 40 O SER A 5 -1.946 -13.376 6.010 1.00 0.00 O ATOM 41 CB SER A 5 -4.863 -15.345 7.030 1.00 0.00 C ATOM 42 OG SER A 5 -5.965 -15.192 7.910 1.00 0.00 O ATOM 0 H SER A 5 -3.604 -12.187 7.222 1.00 0.00 H new ATOM 0 HA SER A 5 -3.585 -14.335 8.307 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.211 -15.327 5.997 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.394 -16.316 7.192 1.00 0.00 H new ATOM 0 HG SER A 5 -6.552 -14.480 7.579 1.00 0.00 H new ATOM 48 N SER A 6 -2.135 -15.622 6.093 1.00 0.00 N ATOM 49 CA SER A 6 -1.087 -15.892 5.116 1.00 0.00 C ATOM 50 C SER A 6 -1.344 -15.212 3.771 1.00 0.00 C ATOM 51 O SER A 6 -2.477 -14.879 3.410 1.00 0.00 O ATOM 52 CB SER A 6 -0.961 -17.402 4.900 1.00 0.00 C ATOM 53 OG SER A 6 0.013 -17.984 5.748 1.00 0.00 O ATOM 0 H SER A 6 -2.513 -16.461 6.534 1.00 0.00 H new ATOM 0 HA SER A 6 -0.161 -15.482 5.520 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.926 -17.875 5.080 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.699 -17.598 3.860 1.00 0.00 H new ATOM 0 HG SER A 6 0.060 -18.948 5.579 1.00 0.00 H new ATOM 59 N GLY A 7 -0.255 -15.101 3.012 1.00 0.00 N ATOM 60 CA GLY A 7 -0.189 -14.379 1.766 1.00 0.00 C ATOM 61 C GLY A 7 0.398 -13.001 2.034 1.00 0.00 C ATOM 62 O GLY A 7 -0.010 -12.319 2.976 1.00 0.00 O ATOM 0 H GLY A 7 0.633 -15.532 3.268 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.427 -14.920 1.048 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.183 -14.288 1.328 1.00 0.00 H new ATOM 66 N PHE A 8 1.365 -12.584 1.216 1.00 0.00 N ATOM 67 CA PHE A 8 1.977 -11.266 1.350 1.00 0.00 C ATOM 68 C PHE A 8 0.920 -10.158 1.337 1.00 0.00 C ATOM 69 O PHE A 8 0.933 -9.263 2.182 1.00 0.00 O ATOM 70 CB PHE A 8 3.012 -11.047 0.239 1.00 0.00 C ATOM 71 CG PHE A 8 3.463 -9.604 0.179 1.00 0.00 C ATOM 72 CD1 PHE A 8 4.312 -9.093 1.176 1.00 0.00 C ATOM 73 CD2 PHE A 8 2.916 -8.737 -0.785 1.00 0.00 C ATOM 74 CE1 PHE A 8 4.602 -7.720 1.210 1.00 0.00 C ATOM 75 CE2 PHE A 8 3.230 -7.373 -0.765 1.00 0.00 C ATOM 76 CZ PHE A 8 4.060 -6.859 0.245 1.00 0.00 C ATOM 0 H PHE A 8 1.741 -13.144 0.451 1.00 0.00 H new ATOM 0 HA PHE A 8 2.485 -11.223 2.313 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.874 -11.692 0.411 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.584 -11.336 -0.721 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.740 -9.755 1.914 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.252 -9.125 -1.543 1.00 0.00 H new ATOM 0 HE1 PHE A 8 5.245 -7.325 1.983 1.00 0.00 H new ATOM 0 HE2 PHE A 8 2.834 -6.716 -1.526 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.280 -5.802 0.278 1.00 0.00 H new ATOM 86 N LYS A 9 -0.003 -10.217 0.372 1.00 0.00 N ATOM 87 CA LYS A 9 -0.977 -9.155 0.159 1.00 0.00 C ATOM 88 C LYS A 9 -1.868 -8.973 1.387 1.00 0.00 C ATOM 89 O LYS A 9 -2.209 -7.843 1.714 1.00 0.00 O ATOM 90 CB LYS A 9 -1.794 -9.480 -1.097 1.00 0.00 C ATOM 91 CG LYS A 9 -2.582 -8.260 -1.581 1.00 0.00 C ATOM 92 CD LYS A 9 -3.286 -8.587 -2.900 1.00 0.00 C ATOM 93 CE LYS A 9 -4.031 -7.348 -3.383 1.00 0.00 C ATOM 94 NZ LYS A 9 -4.534 -7.511 -4.759 1.00 0.00 N ATOM 0 H LYS A 9 -0.092 -10.999 -0.277 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.461 -8.207 0.008 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.127 -9.822 -1.888 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.482 -10.298 -0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.315 -7.968 -0.829 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.910 -7.412 -1.717 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.558 -8.904 -3.647 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.982 -9.415 -2.761 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.866 -7.142 -2.713 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.367 -6.485 -3.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.034 -6.647 -5.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.735 -7.682 -5.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.188 -8.319 -4.796 1.00 0.00 H new ATOM 108 N ALA A 10 -2.216 -10.072 2.052 1.00 0.00 N ATOM 109 CA ALA A 10 -3.030 -10.107 3.252 1.00 0.00 C ATOM 110 C ALA A 10 -2.349 -9.378 4.408 1.00 0.00 C ATOM 111 O ALA A 10 -2.957 -8.480 4.988 1.00 0.00 O ATOM 112 CB ALA A 10 -3.295 -11.573 3.589 1.00 0.00 C ATOM 0 H ALA A 10 -1.922 -11.001 1.751 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.973 -9.588 3.082 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.906 -11.635 4.489 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.820 -12.048 2.760 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.347 -12.084 3.758 1.00 0.00 H new ATOM 118 N GLU A 11 -1.105 -9.737 4.741 1.00 0.00 N ATOM 119 CA GLU A 11 -0.358 -9.064 5.807 1.00 0.00 C ATOM 120 C GLU A 11 -0.232 -7.575 5.515 1.00 0.00 C ATOM 121 O GLU A 11 -0.372 -6.745 6.409 1.00 0.00 O ATOM 122 CB GLU A 11 1.063 -9.612 5.908 1.00 0.00 C ATOM 123 CG GLU A 11 1.179 -10.938 6.638 1.00 0.00 C ATOM 124 CD GLU A 11 0.976 -10.868 8.152 1.00 0.00 C ATOM 125 OE1 GLU A 11 1.570 -9.982 8.810 1.00 0.00 O ATOM 126 OE2 GLU A 11 0.321 -11.799 8.677 1.00 0.00 O ATOM 0 H GLU A 11 -0.593 -10.493 4.285 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.905 -9.237 6.734 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.465 -9.730 4.902 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.687 -8.877 6.416 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.447 -11.629 6.221 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.164 -11.359 6.439 1.00 0.00 H new ATOM 133 N LEU A 12 0.079 -7.240 4.263 1.00 0.00 N ATOM 134 CA LEU A 12 0.285 -5.868 3.843 1.00 0.00 C ATOM 135 C LEU A 12 -1.022 -5.078 3.956 1.00 0.00 C ATOM 136 O LEU A 12 -1.007 -3.953 4.448 1.00 0.00 O ATOM 137 CB LEU A 12 0.842 -5.874 2.418 1.00 0.00 C ATOM 138 CG LEU A 12 1.328 -4.483 1.973 1.00 0.00 C ATOM 139 CD1 LEU A 12 2.702 -4.152 2.581 1.00 0.00 C ATOM 140 CD2 LEU A 12 1.382 -4.453 0.444 1.00 0.00 C ATOM 0 H LEU A 12 0.194 -7.922 3.513 1.00 0.00 H new ATOM 0 HA LEU A 12 1.007 -5.372 4.492 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.669 -6.582 2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.072 -6.224 1.731 1.00 0.00 H new ATOM 0 HG LEU A 12 0.633 -3.724 2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.018 -3.163 2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.631 -4.163 3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.431 -4.894 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.725 -3.473 0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.072 -5.219 0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.388 -4.646 0.041 1.00 0.00 H new ATOM 152 N ASN A 13 -2.150 -5.667 3.548 1.00 0.00 N ATOM 153 CA ASN A 13 -3.474 -5.059 3.663 1.00 0.00 C ATOM 154 C ASN A 13 -3.800 -4.797 5.123 1.00 0.00 C ATOM 155 O ASN A 13 -4.174 -3.679 5.467 1.00 0.00 O ATOM 156 CB ASN A 13 -4.517 -5.994 3.043 1.00 0.00 C ATOM 157 CG ASN A 13 -5.912 -5.400 3.137 1.00 0.00 C ATOM 158 OD1 ASN A 13 -6.185 -4.365 2.528 1.00 0.00 O ATOM 159 ND2 ASN A 13 -6.803 -6.047 3.869 1.00 0.00 N ATOM 0 H ASN A 13 -2.167 -6.594 3.122 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.486 -4.108 3.131 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.268 -6.180 1.998 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.494 -6.957 3.552 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.756 -5.692 3.944 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.537 -6.902 4.358 1.00 0.00 H new ATOM 166 N GLU A 14 -3.643 -5.799 5.987 1.00 0.00 N ATOM 167 CA GLU A 14 -3.843 -5.637 7.429 1.00 0.00 C ATOM 168 C GLU A 14 -2.904 -4.579 8.028 1.00 0.00 C ATOM 169 O GLU A 14 -3.330 -3.819 8.901 1.00 0.00 O ATOM 170 CB GLU A 14 -3.676 -6.981 8.157 1.00 0.00 C ATOM 171 CG GLU A 14 -4.951 -7.837 8.101 1.00 0.00 C ATOM 172 CD GLU A 14 -6.118 -7.260 8.916 1.00 0.00 C ATOM 173 OE1 GLU A 14 -5.921 -6.857 10.088 1.00 0.00 O ATOM 174 OE2 GLU A 14 -7.266 -7.286 8.417 1.00 0.00 O ATOM 0 H GLU A 14 -3.375 -6.743 5.710 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.864 -5.284 7.573 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.850 -7.534 7.710 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.410 -6.797 9.198 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.262 -7.942 7.062 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.723 -8.838 8.468 1.00 0.00 H new ATOM 181 N PHE A 15 -1.650 -4.485 7.580 1.00 0.00 N ATOM 182 CA PHE A 15 -0.716 -3.455 8.031 1.00 0.00 C ATOM 183 C PHE A 15 -1.275 -2.058 7.720 1.00 0.00 C ATOM 184 O PHE A 15 -1.511 -1.255 8.632 1.00 0.00 O ATOM 185 CB PHE A 15 0.686 -3.674 7.429 1.00 0.00 C ATOM 186 CG PHE A 15 1.568 -2.439 7.485 1.00 0.00 C ATOM 187 CD1 PHE A 15 1.999 -1.933 8.726 1.00 0.00 C ATOM 188 CD2 PHE A 15 1.866 -1.727 6.307 1.00 0.00 C ATOM 189 CE1 PHE A 15 2.714 -0.725 8.791 1.00 0.00 C ATOM 190 CE2 PHE A 15 2.556 -0.502 6.373 1.00 0.00 C ATOM 191 CZ PHE A 15 2.987 -0.007 7.616 1.00 0.00 C ATOM 0 H PHE A 15 -1.254 -5.125 6.891 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.604 -3.530 9.113 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.179 -4.487 7.962 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.582 -3.990 6.391 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.779 -2.476 9.633 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.564 -2.123 5.349 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.053 -0.349 9.745 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.754 0.057 5.470 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.528 0.926 7.667 1.00 0.00 H new ATOM 201 N LEU A 16 -1.501 -1.788 6.434 1.00 0.00 N ATOM 202 CA LEU A 16 -1.972 -0.514 5.894 1.00 0.00 C ATOM 203 C LEU A 16 -3.328 -0.138 6.501 1.00 0.00 C ATOM 204 O LEU A 16 -3.563 1.039 6.762 1.00 0.00 O ATOM 205 CB LEU A 16 -2.135 -0.685 4.370 1.00 0.00 C ATOM 206 CG LEU A 16 -0.846 -0.887 3.544 1.00 0.00 C ATOM 207 CD1 LEU A 16 -1.198 -1.403 2.147 1.00 0.00 C ATOM 208 CD2 LEU A 16 0.003 0.377 3.440 1.00 0.00 C ATOM 0 H LEU A 16 -1.353 -2.487 5.706 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.258 0.274 6.132 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.788 -1.540 4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.650 0.195 3.984 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.243 -1.625 4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.284 -1.543 1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.723 -2.354 2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.838 -0.679 1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.894 0.169 2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.576 1.166 2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.298 0.700 4.438 1.00 0.00 H new ATOM 220 N THR A 17 -4.199 -1.121 6.769 1.00 0.00 N ATOM 221 CA THR A 17 -5.538 -0.925 7.324 1.00 0.00 C ATOM 222 C THR A 17 -5.528 -0.100 8.619 1.00 0.00 C ATOM 223 O THR A 17 -6.522 0.580 8.897 1.00 0.00 O ATOM 224 CB THR A 17 -6.208 -2.300 7.538 1.00 0.00 C ATOM 225 OG1 THR A 17 -6.547 -2.868 6.291 1.00 0.00 O ATOM 226 CG2 THR A 17 -7.484 -2.288 8.380 1.00 0.00 C ATOM 0 H THR A 17 -3.981 -2.103 6.599 1.00 0.00 H new ATOM 0 HA THR A 17 -6.119 -0.345 6.607 1.00 0.00 H new ATOM 0 HB THR A 17 -5.463 -2.876 8.086 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.804 -3.422 5.971 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.872 -3.303 8.468 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.261 -1.898 9.373 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.230 -1.655 7.901 1.00 0.00 H new ATOM 234 N ARG A 18 -4.467 -0.181 9.432 1.00 0.00 N ATOM 235 CA ARG A 18 -4.344 0.591 10.667 1.00 0.00 C ATOM 236 C ARG A 18 -3.657 1.912 10.390 1.00 0.00 C ATOM 237 O ARG A 18 -4.221 2.955 10.700 1.00 0.00 O ATOM 238 CB ARG A 18 -3.618 -0.216 11.750 1.00 0.00 C ATOM 239 CG ARG A 18 -4.553 -1.282 12.326 1.00 0.00 C ATOM 240 CD ARG A 18 -3.895 -2.060 13.462 1.00 0.00 C ATOM 241 NE ARG A 18 -4.781 -3.134 13.955 1.00 0.00 N ATOM 242 CZ ARG A 18 -4.435 -4.405 14.207 1.00 0.00 C ATOM 243 NH1 ARG A 18 -3.196 -4.836 13.989 1.00 0.00 N ATOM 244 NH2 ARG A 18 -5.354 -5.253 14.653 1.00 0.00 N ATOM 0 H ARG A 18 -3.668 -0.788 9.247 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.342 0.807 11.048 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.731 -0.688 11.329 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.279 0.449 12.544 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.464 -0.808 12.691 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.847 -1.972 11.536 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.955 -2.490 13.116 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.653 -1.381 14.279 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.756 -2.883 14.121 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.490 -4.196 13.624 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.951 -5.806 14.187 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.312 -4.936 14.801 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.102 -6.222 14.848 1.00 0.00 H new ATOM 258 N GLU A 19 -2.478 1.869 9.778 1.00 0.00 N ATOM 259 CA GLU A 19 -1.664 3.048 9.511 1.00 0.00 C ATOM 260 C GLU A 19 -2.468 4.134 8.771 1.00 0.00 C ATOM 261 O GLU A 19 -2.356 5.319 9.084 1.00 0.00 O ATOM 262 CB GLU A 19 -0.428 2.594 8.710 1.00 0.00 C ATOM 263 CG GLU A 19 0.849 2.336 9.530 1.00 0.00 C ATOM 264 CD GLU A 19 1.440 3.550 10.255 1.00 0.00 C ATOM 265 OE1 GLU A 19 1.032 4.702 10.001 1.00 0.00 O ATOM 266 OE2 GLU A 19 2.332 3.363 11.114 1.00 0.00 O ATOM 0 H GLU A 19 -2.056 1.001 9.449 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.345 3.505 10.448 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.683 1.680 8.174 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.207 3.353 7.959 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.632 1.566 10.270 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.610 1.931 8.863 1.00 0.00 H new ATOM 273 N LEU A 20 -3.316 3.746 7.809 1.00 0.00 N ATOM 274 CA LEU A 20 -4.084 4.656 6.957 1.00 0.00 C ATOM 275 C LEU A 20 -5.574 4.680 7.325 1.00 0.00 C ATOM 276 O LEU A 20 -6.409 5.075 6.500 1.00 0.00 O ATOM 277 CB LEU A 20 -3.870 4.265 5.484 1.00 0.00 C ATOM 278 CG LEU A 20 -2.501 4.640 4.901 1.00 0.00 C ATOM 279 CD1 LEU A 20 -2.439 4.079 3.484 1.00 0.00 C ATOM 280 CD2 LEU A 20 -2.259 6.154 4.875 1.00 0.00 C ATOM 0 H LEU A 20 -3.489 2.763 7.598 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.721 5.671 7.117 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.006 3.188 5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.646 4.739 4.882 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.722 4.219 5.537 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.477 4.327 3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.556 2.996 3.516 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.240 4.513 2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.275 6.358 4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.023 6.634 4.264 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.307 6.548 5.890 1.00 0.00 H new ATOM 292 N ALA A 21 -5.945 4.236 8.528 1.00 0.00 N ATOM 293 CA ALA A 21 -7.341 4.087 8.909 1.00 0.00 C ATOM 294 C ALA A 21 -8.102 5.414 8.898 1.00 0.00 C ATOM 295 O ALA A 21 -9.206 5.469 8.355 1.00 0.00 O ATOM 296 CB ALA A 21 -7.464 3.434 10.285 1.00 0.00 C ATOM 0 H ALA A 21 -5.285 3.972 9.259 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.795 3.441 8.158 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.517 3.334 10.547 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.000 2.448 10.263 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.963 4.054 11.028 1.00 0.00 H new ATOM 302 N GLU A 22 -7.576 6.461 9.538 1.00 0.00 N ATOM 303 CA GLU A 22 -8.236 7.769 9.613 1.00 0.00 C ATOM 304 C GLU A 22 -8.039 8.571 8.324 1.00 0.00 C ATOM 305 O GLU A 22 -8.772 9.527 8.078 1.00 0.00 O ATOM 306 CB GLU A 22 -7.749 8.551 10.845 1.00 0.00 C ATOM 307 CG GLU A 22 -8.446 8.159 12.150 1.00 0.00 C ATOM 308 CD GLU A 22 -9.912 8.596 12.150 1.00 0.00 C ATOM 309 OE1 GLU A 22 -10.209 9.775 12.461 1.00 0.00 O ATOM 310 OE2 GLU A 22 -10.774 7.741 11.856 1.00 0.00 O ATOM 0 H GLU A 22 -6.678 6.427 10.020 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.307 7.601 9.723 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.676 8.397 10.959 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.902 9.616 10.670 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.386 7.079 12.287 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.928 8.616 12.993 1.00 0.00 H new ATOM 317 N ASP A 23 -7.095 8.166 7.474 1.00 0.00 N ATOM 318 CA ASP A 23 -6.889 8.759 6.161 1.00 0.00 C ATOM 319 C ASP A 23 -8.039 8.364 5.236 1.00 0.00 C ATOM 320 O ASP A 23 -8.488 9.190 4.441 1.00 0.00 O ATOM 321 CB ASP A 23 -5.583 8.266 5.528 1.00 0.00 C ATOM 322 CG ASP A 23 -4.317 8.778 6.187 1.00 0.00 C ATOM 323 OD1 ASP A 23 -4.024 8.340 7.325 1.00 0.00 O ATOM 324 OD2 ASP A 23 -3.591 9.544 5.533 1.00 0.00 O ATOM 0 H ASP A 23 -6.446 7.408 7.685 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.843 9.841 6.288 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.573 7.176 5.554 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.572 8.560 4.478 1.00 0.00 H new ATOM 329 N GLY A 24 -8.494 7.101 5.284 1.00 0.00 N ATOM 330 CA GLY A 24 -9.531 6.595 4.380 1.00 0.00 C ATOM 331 C GLY A 24 -9.094 5.438 3.486 1.00 0.00 C ATOM 332 O GLY A 24 -9.386 5.462 2.288 1.00 0.00 O ATOM 0 H GLY A 24 -8.153 6.407 5.949 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.386 6.273 4.975 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.873 7.414 3.748 1.00 0.00 H new ATOM 336 N TYR A 25 -8.404 4.433 4.037 1.00 0.00 N ATOM 337 CA TYR A 25 -7.929 3.261 3.308 1.00 0.00 C ATOM 338 C TYR A 25 -9.085 2.454 2.681 1.00 0.00 C ATOM 339 O TYR A 25 -10.263 2.688 2.971 1.00 0.00 O ATOM 340 CB TYR A 25 -7.092 2.431 4.291 1.00 0.00 C ATOM 341 CG TYR A 25 -6.418 1.219 3.692 1.00 0.00 C ATOM 342 CD1 TYR A 25 -5.381 1.394 2.759 1.00 0.00 C ATOM 343 CD2 TYR A 25 -6.838 -0.074 4.055 1.00 0.00 C ATOM 344 CE1 TYR A 25 -4.756 0.267 2.195 1.00 0.00 C ATOM 345 CE2 TYR A 25 -6.202 -1.199 3.501 1.00 0.00 C ATOM 346 CZ TYR A 25 -5.168 -1.019 2.563 1.00 0.00 C ATOM 347 OH TYR A 25 -4.584 -2.075 1.959 1.00 0.00 O ATOM 0 H TYR A 25 -8.157 4.416 5.026 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.316 3.563 2.459 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.328 3.074 4.727 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.736 2.103 5.107 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.066 2.388 2.477 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.648 -0.202 4.758 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.958 0.394 1.478 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.505 -2.194 3.793 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.102 -2.886 2.144 1.00 0.00 H new ATOM 357 N SER A 26 -8.769 1.520 1.779 1.00 0.00 N ATOM 358 CA SER A 26 -9.745 0.669 1.104 1.00 0.00 C ATOM 359 C SER A 26 -9.163 -0.620 0.526 1.00 0.00 C ATOM 360 O SER A 26 -9.896 -1.609 0.398 1.00 0.00 O ATOM 361 CB SER A 26 -10.379 1.481 -0.022 1.00 0.00 C ATOM 362 OG SER A 26 -11.530 2.121 0.489 1.00 0.00 O ATOM 0 H SER A 26 -7.808 1.333 1.494 1.00 0.00 H new ATOM 0 HA SER A 26 -10.472 0.358 1.854 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.672 2.218 -0.404 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.644 0.832 -0.856 1.00 0.00 H new ATOM 0 HG SER A 26 -11.353 2.434 1.401 1.00 0.00 H new ATOM 368 N GLY A 27 -7.880 -0.650 0.173 1.00 0.00 N ATOM 369 CA GLY A 27 -7.213 -1.863 -0.269 1.00 0.00 C ATOM 370 C GLY A 27 -5.880 -1.534 -0.905 1.00 0.00 C ATOM 371 O GLY A 27 -5.409 -0.402 -0.810 1.00 0.00 O ATOM 0 H GLY A 27 -7.275 0.171 0.187 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.063 -2.532 0.579 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.843 -2.391 -0.984 1.00 0.00 H new ATOM 375 N VAL A 28 -5.263 -2.524 -1.539 1.00 0.00 N ATOM 376 CA VAL A 28 -3.932 -2.398 -2.098 1.00 0.00 C ATOM 377 C VAL A 28 -3.827 -3.331 -3.301 1.00 0.00 C ATOM 378 O VAL A 28 -4.443 -4.404 -3.327 1.00 0.00 O ATOM 379 CB VAL A 28 -2.899 -2.664 -0.973 1.00 0.00 C ATOM 380 CG1 VAL A 28 -3.065 -4.036 -0.288 1.00 0.00 C ATOM 381 CG2 VAL A 28 -1.446 -2.507 -1.430 1.00 0.00 C ATOM 0 H VAL A 28 -5.681 -3.444 -1.678 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.721 -1.396 -2.470 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.120 -1.887 -0.241 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.307 -4.150 0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.056 -4.101 0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.949 -4.828 -1.028 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.778 -2.708 -0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.240 -3.212 -2.236 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.285 -1.490 -1.787 1.00 0.00 H new ATOM 391 N GLU A 29 -3.013 -2.950 -4.279 1.00 0.00 N ATOM 392 CA GLU A 29 -2.490 -3.838 -5.298 1.00 0.00 C ATOM 393 C GLU A 29 -0.982 -3.943 -5.138 1.00 0.00 C ATOM 394 O GLU A 29 -0.321 -3.118 -4.509 1.00 0.00 O ATOM 395 CB GLU A 29 -2.894 -3.405 -6.714 1.00 0.00 C ATOM 396 CG GLU A 29 -4.376 -3.713 -6.946 1.00 0.00 C ATOM 397 CD GLU A 29 -4.792 -3.610 -8.417 1.00 0.00 C ATOM 398 OE1 GLU A 29 -4.209 -4.333 -9.264 1.00 0.00 O ATOM 399 OE2 GLU A 29 -5.807 -2.943 -8.715 1.00 0.00 O ATOM 0 H GLU A 29 -2.693 -1.987 -4.383 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.930 -4.826 -5.161 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.710 -2.339 -6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.285 -3.927 -7.452 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.592 -4.718 -6.584 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.980 -3.024 -6.355 1.00 0.00 H new ATOM 406 N VAL A 30 -0.465 -5.027 -5.687 1.00 0.00 N ATOM 407 CA VAL A 30 0.873 -5.537 -5.483 1.00 0.00 C ATOM 408 C VAL A 30 1.349 -6.009 -6.856 1.00 0.00 C ATOM 409 O VAL A 30 0.649 -6.770 -7.534 1.00 0.00 O ATOM 410 CB VAL A 30 0.820 -6.605 -4.359 1.00 0.00 C ATOM 411 CG1 VAL A 30 -0.306 -7.635 -4.462 1.00 0.00 C ATOM 412 CG2 VAL A 30 2.112 -7.404 -4.184 1.00 0.00 C ATOM 0 H VAL A 30 -1.005 -5.609 -6.327 1.00 0.00 H new ATOM 0 HA VAL A 30 1.603 -4.810 -5.128 1.00 0.00 H new ATOM 0 HB VAL A 30 0.639 -5.961 -3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.242 -8.329 -3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.269 -7.125 -4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.210 -8.186 -5.397 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.986 -8.127 -3.378 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.343 -7.930 -5.110 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.929 -6.725 -3.939 1.00 0.00 H new ATOM 422 N ARG A 31 2.501 -5.514 -7.306 1.00 0.00 N ATOM 423 CA ARG A 31 3.086 -5.809 -8.607 1.00 0.00 C ATOM 424 C ARG A 31 4.559 -6.139 -8.405 1.00 0.00 C ATOM 425 O ARG A 31 5.286 -5.334 -7.827 1.00 0.00 O ATOM 426 CB ARG A 31 2.894 -4.608 -9.553 1.00 0.00 C ATOM 427 CG ARG A 31 1.796 -4.860 -10.592 1.00 0.00 C ATOM 428 CD ARG A 31 1.449 -3.549 -11.304 1.00 0.00 C ATOM 429 NE ARG A 31 0.673 -3.775 -12.536 1.00 0.00 N ATOM 430 CZ ARG A 31 -0.258 -2.959 -13.040 1.00 0.00 C ATOM 431 NH1 ARG A 31 -0.411 -1.738 -12.540 1.00 0.00 N ATOM 432 NH2 ARG A 31 -1.036 -3.375 -14.036 1.00 0.00 N ATOM 0 H ARG A 31 3.071 -4.874 -6.753 1.00 0.00 H new ATOM 0 HA ARG A 31 2.593 -6.665 -9.068 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.642 -3.723 -8.968 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.833 -4.396 -10.064 1.00 0.00 H new ATOM 0 HG2 ARG A 31 2.131 -5.601 -11.317 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.909 -5.267 -10.107 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.879 -2.911 -10.629 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.368 -3.015 -11.548 1.00 0.00 H new ATOM 0 HE ARG A 31 0.864 -4.634 -13.052 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.182 -1.423 -11.772 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.121 -1.115 -12.924 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.922 -4.315 -14.414 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.747 -2.753 -14.422 1.00 0.00 H new ATOM 446 N VAL A 32 5.009 -7.294 -8.885 1.00 0.00 N ATOM 447 CA VAL A 32 6.424 -7.643 -8.936 1.00 0.00 C ATOM 448 C VAL A 32 6.796 -7.795 -10.404 1.00 0.00 C ATOM 449 O VAL A 32 6.075 -8.429 -11.175 1.00 0.00 O ATOM 450 CB VAL A 32 6.724 -8.863 -8.045 1.00 0.00 C ATOM 451 CG1 VAL A 32 5.999 -10.152 -8.463 1.00 0.00 C ATOM 452 CG2 VAL A 32 8.234 -9.113 -7.938 1.00 0.00 C ATOM 0 H VAL A 32 4.395 -8.021 -9.253 1.00 0.00 H new ATOM 0 HA VAL A 32 7.059 -6.863 -8.516 1.00 0.00 H new ATOM 0 HB VAL A 32 6.325 -8.600 -7.065 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.269 -10.959 -7.781 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.921 -9.991 -8.427 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.292 -10.422 -9.478 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.415 -9.980 -7.303 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.643 -9.299 -8.931 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.718 -8.238 -7.504 1.00 0.00 H new ATOM 462 N THR A 33 7.850 -7.104 -10.813 1.00 0.00 N ATOM 463 CA THR A 33 8.327 -7.055 -12.181 1.00 0.00 C ATOM 464 C THR A 33 9.781 -7.548 -12.229 1.00 0.00 C ATOM 465 O THR A 33 10.412 -7.704 -11.172 1.00 0.00 O ATOM 466 CB THR A 33 8.172 -5.604 -12.647 1.00 0.00 C ATOM 467 OG1 THR A 33 9.056 -4.822 -11.890 1.00 0.00 O ATOM 468 CG2 THR A 33 6.753 -5.063 -12.477 1.00 0.00 C ATOM 0 H THR A 33 8.415 -6.543 -10.175 1.00 0.00 H new ATOM 0 HA THR A 33 7.761 -7.705 -12.848 1.00 0.00 H new ATOM 0 HB THR A 33 8.392 -5.564 -13.714 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.555 -4.224 -12.485 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.713 -4.031 -12.826 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.060 -5.670 -13.059 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.473 -5.101 -11.424 1.00 0.00 H new ATOM 476 N PRO A 34 10.391 -7.682 -13.421 1.00 0.00 N ATOM 477 CA PRO A 34 11.828 -7.890 -13.532 1.00 0.00 C ATOM 478 C PRO A 34 12.659 -6.655 -13.142 1.00 0.00 C ATOM 479 O PRO A 34 13.887 -6.709 -13.268 1.00 0.00 O ATOM 480 CB PRO A 34 12.076 -8.329 -14.975 1.00 0.00 C ATOM 481 CG PRO A 34 10.904 -7.758 -15.763 1.00 0.00 C ATOM 482 CD PRO A 34 9.773 -7.651 -14.741 1.00 0.00 C ATOM 0 HA PRO A 34 12.156 -8.650 -12.823 1.00 0.00 H new ATOM 0 HB2 PRO A 34 13.026 -7.946 -15.347 1.00 0.00 H new ATOM 0 HB3 PRO A 34 12.116 -9.415 -15.057 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.148 -6.785 -16.188 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.629 -8.409 -16.593 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.211 -6.728 -14.883 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.068 -8.475 -14.857 1.00 0.00 H new ATOM 490 N THR A 35 12.047 -5.557 -12.677 1.00 0.00 N ATOM 491 CA THR A 35 12.778 -4.382 -12.222 1.00 0.00 C ATOM 492 C THR A 35 12.594 -4.186 -10.712 1.00 0.00 C ATOM 493 O THR A 35 13.555 -4.396 -9.977 1.00 0.00 O ATOM 494 CB THR A 35 12.315 -3.169 -13.052 1.00 0.00 C ATOM 495 OG1 THR A 35 10.906 -3.053 -13.040 1.00 0.00 O ATOM 496 CG2 THR A 35 12.703 -3.330 -14.524 1.00 0.00 C ATOM 0 H THR A 35 11.033 -5.465 -12.609 1.00 0.00 H new ATOM 0 HA THR A 35 13.850 -4.508 -12.377 1.00 0.00 H new ATOM 0 HB THR A 35 12.792 -2.296 -12.606 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.637 -2.275 -13.572 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.364 -2.460 -15.087 1.00 0.00 H new ATOM 0 HG22 THR A 35 13.786 -3.417 -14.607 1.00 0.00 H new ATOM 0 HG23 THR A 35 12.235 -4.228 -14.928 1.00 0.00 H new ATOM 504 N ARG A 36 11.373 -4.006 -10.190 1.00 0.00 N ATOM 505 CA ARG A 36 11.167 -3.825 -8.750 1.00 0.00 C ATOM 506 C ARG A 36 9.750 -4.147 -8.310 1.00 0.00 C ATOM 507 O ARG A 36 8.806 -4.071 -9.099 1.00 0.00 O ATOM 508 CB ARG A 36 11.555 -2.400 -8.303 1.00 0.00 C ATOM 509 CG ARG A 36 10.844 -1.200 -8.950 1.00 0.00 C ATOM 510 CD ARG A 36 11.255 0.070 -8.173 1.00 0.00 C ATOM 511 NE ARG A 36 11.284 1.296 -8.992 1.00 0.00 N ATOM 512 CZ ARG A 36 12.213 1.604 -9.909 1.00 0.00 C ATOM 513 NH1 ARG A 36 13.201 0.759 -10.186 1.00 0.00 N ATOM 514 NH2 ARG A 36 12.136 2.760 -10.553 1.00 0.00 N ATOM 0 H ARG A 36 10.516 -3.982 -10.743 1.00 0.00 H new ATOM 0 HA ARG A 36 11.826 -4.541 -8.259 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.395 -2.337 -7.227 1.00 0.00 H new ATOM 0 HB3 ARG A 36 12.625 -2.281 -8.474 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.123 -1.112 -10.000 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.763 -1.334 -8.918 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.562 0.216 -7.345 1.00 0.00 H new ATOM 0 HD3 ARG A 36 12.242 -0.087 -7.739 1.00 0.00 H new ATOM 0 HE ARG A 36 10.531 1.969 -8.848 1.00 0.00 H new ATOM 0 HH11 ARG A 36 13.259 -0.135 -9.699 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.901 1.005 -10.886 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.374 3.407 -10.350 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.838 3.002 -11.252 1.00 0.00 H new ATOM 528 N THR A 37 9.614 -4.462 -7.027 1.00 0.00 N ATOM 529 CA THR A 37 8.342 -4.557 -6.342 1.00 0.00 C ATOM 530 C THR A 37 7.674 -3.176 -6.353 1.00 0.00 C ATOM 531 O THR A 37 8.346 -2.151 -6.249 1.00 0.00 O ATOM 532 CB THR A 37 8.623 -5.039 -4.908 1.00 0.00 C ATOM 533 OG1 THR A 37 9.364 -6.247 -4.911 1.00 0.00 O ATOM 534 CG2 THR A 37 7.353 -5.255 -4.100 1.00 0.00 C ATOM 0 H THR A 37 10.411 -4.663 -6.423 1.00 0.00 H new ATOM 0 HA THR A 37 7.667 -5.261 -6.829 1.00 0.00 H new ATOM 0 HB THR A 37 9.201 -4.243 -4.438 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.531 -6.531 -3.988 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.613 -5.595 -3.097 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.800 -4.318 -4.034 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.734 -6.008 -4.589 1.00 0.00 H new ATOM 542 N GLU A 38 6.348 -3.158 -6.405 1.00 0.00 N ATOM 543 CA GLU A 38 5.485 -1.989 -6.445 1.00 0.00 C ATOM 544 C GLU A 38 4.306 -2.259 -5.508 1.00 0.00 C ATOM 545 O GLU A 38 3.729 -3.350 -5.554 1.00 0.00 O ATOM 546 CB GLU A 38 4.935 -1.864 -7.867 1.00 0.00 C ATOM 547 CG GLU A 38 5.957 -1.510 -8.952 1.00 0.00 C ATOM 548 CD GLU A 38 5.286 -1.477 -10.328 1.00 0.00 C ATOM 549 OE1 GLU A 38 4.532 -0.527 -10.645 1.00 0.00 O ATOM 550 OE2 GLU A 38 5.560 -2.388 -11.140 1.00 0.00 O ATOM 0 H GLU A 38 5.811 -4.025 -6.421 1.00 0.00 H new ATOM 0 HA GLU A 38 6.023 -1.087 -6.154 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.460 -2.808 -8.136 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.155 -1.103 -7.868 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.405 -0.540 -8.736 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.765 -2.242 -8.952 1.00 0.00 H new ATOM 557 N ILE A 39 3.928 -1.295 -4.675 1.00 0.00 N ATOM 558 CA ILE A 39 2.794 -1.371 -3.759 1.00 0.00 C ATOM 559 C ILE A 39 1.918 -0.165 -4.072 1.00 0.00 C ATOM 560 O ILE A 39 2.407 0.961 -4.026 1.00 0.00 O ATOM 561 CB ILE A 39 3.312 -1.380 -2.301 1.00 0.00 C ATOM 562 CG1 ILE A 39 4.040 -2.709 -1.991 1.00 0.00 C ATOM 563 CG2 ILE A 39 2.164 -1.146 -1.301 1.00 0.00 C ATOM 564 CD1 ILE A 39 4.896 -2.662 -0.720 1.00 0.00 C ATOM 0 H ILE A 39 4.422 -0.405 -4.617 1.00 0.00 H new ATOM 0 HA ILE A 39 2.210 -2.284 -3.878 1.00 0.00 H new ATOM 0 HB ILE A 39 4.023 -0.561 -2.193 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.300 -3.503 -1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.676 -2.970 -2.837 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.558 -1.158 -0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.700 -0.180 -1.499 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.420 -1.935 -1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.375 -3.629 -0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.660 -1.891 -0.824 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.263 -2.432 0.137 1.00 0.00 H new ATOM 576 N ILE A 40 0.648 -0.381 -4.404 1.00 0.00 N ATOM 577 CA ILE A 40 -0.271 0.669 -4.813 1.00 0.00 C ATOM 578 C ILE A 40 -1.458 0.596 -3.860 1.00 0.00 C ATOM 579 O ILE A 40 -2.369 -0.208 -4.044 1.00 0.00 O ATOM 580 CB ILE A 40 -0.669 0.533 -6.307 1.00 0.00 C ATOM 581 CG1 ILE A 40 0.508 0.408 -7.307 1.00 0.00 C ATOM 582 CG2 ILE A 40 -1.474 1.785 -6.694 1.00 0.00 C ATOM 583 CD1 ILE A 40 1.093 -0.998 -7.485 1.00 0.00 C ATOM 0 H ILE A 40 0.224 -1.309 -4.395 1.00 0.00 H new ATOM 0 HA ILE A 40 0.192 1.654 -4.749 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.228 -0.399 -6.381 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.171 0.766 -8.280 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.307 1.074 -6.982 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.769 1.719 -7.741 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.365 1.852 -6.070 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.859 2.673 -6.546 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.909 -0.964 -8.207 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.470 -1.359 -6.528 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.317 -1.672 -7.847 1.00 0.00 H new ATOM 595 N ILE A 41 -1.417 1.391 -2.793 1.00 0.00 N ATOM 596 CA ILE A 41 -2.546 1.550 -1.886 1.00 0.00 C ATOM 597 C ILE A 41 -3.656 2.291 -2.637 1.00 0.00 C ATOM 598 O ILE A 41 -3.393 3.268 -3.343 1.00 0.00 O ATOM 599 CB ILE A 41 -2.098 2.302 -0.623 1.00 0.00 C ATOM 600 CG1 ILE A 41 -1.034 1.471 0.136 1.00 0.00 C ATOM 601 CG2 ILE A 41 -3.341 2.551 0.252 1.00 0.00 C ATOM 602 CD1 ILE A 41 0.387 2.009 -0.035 1.00 0.00 C ATOM 0 H ILE A 41 -0.599 1.942 -2.535 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.928 0.583 -1.560 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.643 3.257 -0.884 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.284 1.455 1.197 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.070 0.440 -0.215 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.048 3.084 1.156 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.064 3.148 -0.304 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.792 1.597 0.524 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.083 1.382 0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.655 1.999 -1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.437 3.030 0.343 1.00 0.00 H new ATOM 614 N LEU A 42 -4.895 1.857 -2.419 1.00 0.00 N ATOM 615 CA LEU A 42 -6.137 2.409 -2.927 1.00 0.00 C ATOM 616 C LEU A 42 -6.813 3.092 -1.733 1.00 0.00 C ATOM 617 O LEU A 42 -7.144 2.406 -0.756 1.00 0.00 O ATOM 618 CB LEU A 42 -7.028 1.257 -3.450 1.00 0.00 C ATOM 619 CG LEU A 42 -6.373 0.343 -4.507 1.00 0.00 C ATOM 620 CD1 LEU A 42 -7.275 -0.857 -4.822 1.00 0.00 C ATOM 621 CD2 LEU A 42 -6.059 1.115 -5.789 1.00 0.00 C ATOM 0 H LEU A 42 -5.064 1.040 -1.832 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.971 3.111 -3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.334 0.643 -2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.935 1.686 -3.877 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.435 -0.023 -4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.794 -1.488 -5.569 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.443 -1.435 -3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.231 -0.502 -5.208 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.598 0.444 -6.514 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.981 1.521 -6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.373 1.931 -5.563 1.00 0.00 H new ATOM 633 N ALA A 43 -6.981 4.418 -1.761 1.00 0.00 N ATOM 634 CA ALA A 43 -7.583 5.167 -0.654 1.00 0.00 C ATOM 635 C ALA A 43 -8.354 6.413 -1.125 1.00 0.00 C ATOM 636 O ALA A 43 -8.347 6.722 -2.317 1.00 0.00 O ATOM 637 CB ALA A 43 -6.476 5.552 0.317 1.00 0.00 C ATOM 0 H ALA A 43 -6.704 5.001 -2.551 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.319 4.529 -0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.901 6.111 1.150 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.993 4.651 0.694 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.740 6.170 -0.197 1.00 0.00 H new ATOM 643 N THR A 44 -9.032 7.156 -0.236 1.00 0.00 N ATOM 644 CA THR A 44 -9.871 8.290 -0.656 1.00 0.00 C ATOM 645 C THR A 44 -9.133 9.634 -0.707 1.00 0.00 C ATOM 646 O THR A 44 -9.618 10.553 -1.375 1.00 0.00 O ATOM 647 CB THR A 44 -11.127 8.423 0.232 1.00 0.00 C ATOM 648 OG1 THR A 44 -10.912 7.950 1.545 1.00 0.00 O ATOM 649 CG2 THR A 44 -12.345 7.711 -0.360 1.00 0.00 C ATOM 0 H THR A 44 -9.016 6.994 0.771 1.00 0.00 H new ATOM 0 HA THR A 44 -10.165 8.053 -1.679 1.00 0.00 H new ATOM 0 HB THR A 44 -11.332 9.493 0.271 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.733 8.056 2.069 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.199 7.837 0.305 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.578 8.139 -1.335 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.126 6.649 -0.473 1.00 0.00 H new ATOM 657 N ARG A 45 -8.014 9.793 0.003 1.00 0.00 N ATOM 658 CA ARG A 45 -7.422 11.090 0.338 1.00 0.00 C ATOM 659 C ARG A 45 -5.912 11.008 0.139 1.00 0.00 C ATOM 660 O ARG A 45 -5.141 11.001 1.097 1.00 0.00 O ATOM 661 CB ARG A 45 -7.742 11.455 1.802 1.00 0.00 C ATOM 662 CG ARG A 45 -9.200 11.369 2.254 1.00 0.00 C ATOM 663 CD ARG A 45 -10.121 12.444 1.677 1.00 0.00 C ATOM 664 NE ARG A 45 -11.311 12.510 2.528 1.00 0.00 N ATOM 665 CZ ARG A 45 -12.338 13.353 2.472 1.00 0.00 C ATOM 666 NH1 ARG A 45 -12.506 14.179 1.440 1.00 0.00 N ATOM 667 NH2 ARG A 45 -13.201 13.325 3.476 1.00 0.00 N ATOM 0 H ARG A 45 -7.481 9.004 0.370 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.837 11.862 -0.310 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.152 10.803 2.447 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.396 12.474 1.977 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.593 10.390 1.979 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.231 11.431 3.342 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.614 13.409 1.651 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.397 12.201 0.651 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.359 11.810 3.269 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.838 14.174 0.669 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -13.302 14.816 1.421 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.063 12.675 4.250 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -14.004 13.954 3.476 1.00 0.00 H new ATOM 681 N THR A 46 -5.469 10.936 -1.107 1.00 0.00 N ATOM 682 CA THR A 46 -4.064 10.712 -1.434 1.00 0.00 C ATOM 683 C THR A 46 -3.149 11.784 -0.820 1.00 0.00 C ATOM 684 O THR A 46 -2.053 11.453 -0.372 1.00 0.00 O ATOM 685 CB THR A 46 -3.898 10.578 -2.954 1.00 0.00 C ATOM 686 OG1 THR A 46 -4.394 11.742 -3.588 1.00 0.00 O ATOM 687 CG2 THR A 46 -4.667 9.350 -3.466 1.00 0.00 C ATOM 0 H THR A 46 -6.073 11.031 -1.924 1.00 0.00 H new ATOM 0 HA THR A 46 -3.745 9.773 -0.983 1.00 0.00 H new ATOM 0 HB THR A 46 -2.840 10.456 -3.185 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.286 11.657 -4.558 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.541 9.266 -4.545 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.280 8.452 -2.985 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.726 9.460 -3.231 1.00 0.00 H new ATOM 695 N GLN A 47 -3.594 13.044 -0.694 1.00 0.00 N ATOM 696 CA GLN A 47 -2.801 14.068 -0.012 1.00 0.00 C ATOM 697 C GLN A 47 -2.512 13.706 1.453 1.00 0.00 C ATOM 698 O GLN A 47 -1.425 13.989 1.957 1.00 0.00 O ATOM 699 CB GLN A 47 -3.449 15.466 -0.131 1.00 0.00 C ATOM 700 CG GLN A 47 -4.873 15.632 0.451 1.00 0.00 C ATOM 701 CD GLN A 47 -5.977 15.510 -0.605 1.00 0.00 C ATOM 702 OE1 GLN A 47 -5.937 14.648 -1.483 1.00 0.00 O ATOM 703 NE2 GLN A 47 -6.983 16.369 -0.528 1.00 0.00 N ATOM 0 H GLN A 47 -4.491 13.372 -1.053 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.839 14.106 -0.523 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.795 16.185 0.362 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.481 15.736 -1.187 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -5.033 14.879 1.223 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.949 16.606 0.935 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.995 17.075 0.208 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.745 16.324 -1.205 1.00 0.00 H new ATOM 712 N ASN A 48 -3.480 13.083 2.129 1.00 0.00 N ATOM 713 CA ASN A 48 -3.379 12.691 3.529 1.00 0.00 C ATOM 714 C ASN A 48 -2.411 11.514 3.655 1.00 0.00 C ATOM 715 O ASN A 48 -1.513 11.534 4.499 1.00 0.00 O ATOM 716 CB ASN A 48 -4.783 12.350 4.063 1.00 0.00 C ATOM 717 CG ASN A 48 -4.992 12.917 5.459 1.00 0.00 C ATOM 718 OD1 ASN A 48 -4.649 12.314 6.465 1.00 0.00 O ATOM 719 ND2 ASN A 48 -5.607 14.085 5.567 1.00 0.00 N ATOM 0 H ASN A 48 -4.374 12.833 1.705 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.985 13.509 4.131 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.539 12.750 3.388 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.915 11.268 4.083 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.794 14.480 6.489 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -5.894 14.590 4.728 1.00 0.00 H new ATOM 726 N VAL A 49 -2.549 10.549 2.735 1.00 0.00 N ATOM 727 CA VAL A 49 -1.739 9.336 2.637 1.00 0.00 C ATOM 728 C VAL A 49 -0.270 9.734 2.488 1.00 0.00 C ATOM 729 O VAL A 49 0.588 9.257 3.226 1.00 0.00 O ATOM 730 CB VAL A 49 -2.241 8.488 1.440 1.00 0.00 C ATOM 731 CG1 VAL A 49 -1.349 7.284 1.111 1.00 0.00 C ATOM 732 CG2 VAL A 49 -3.672 7.965 1.638 1.00 0.00 C ATOM 0 H VAL A 49 -3.262 10.599 2.008 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.832 8.727 3.536 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.209 9.190 0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.767 6.742 0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.347 7.631 0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.298 6.622 1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.969 7.379 0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.710 7.338 2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.354 8.807 1.758 1.00 0.00 H new ATOM 742 N LEU A 50 0.020 10.631 1.542 1.00 0.00 N ATOM 743 CA LEU A 50 1.367 11.124 1.281 1.00 0.00 C ATOM 744 C LEU A 50 1.903 11.929 2.463 1.00 0.00 C ATOM 745 O LEU A 50 3.112 11.945 2.707 1.00 0.00 O ATOM 746 CB LEU A 50 1.351 12.013 0.028 1.00 0.00 C ATOM 747 CG LEU A 50 1.070 11.244 -1.275 1.00 0.00 C ATOM 748 CD1 LEU A 50 0.802 12.237 -2.408 1.00 0.00 C ATOM 749 CD2 LEU A 50 2.246 10.345 -1.648 1.00 0.00 C ATOM 0 H LEU A 50 -0.687 11.038 0.930 1.00 0.00 H new ATOM 0 HA LEU A 50 2.020 10.265 1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.594 12.787 0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.313 12.519 -0.060 1.00 0.00 H new ATOM 0 HG LEU A 50 0.194 10.614 -1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.603 11.691 -3.330 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.062 12.852 -2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.674 12.876 -2.545 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.019 9.814 -2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.139 10.954 -1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.421 9.624 -0.849 1.00 0.00 H new ATOM 761 N GLY A 51 1.020 12.610 3.194 1.00 0.00 N ATOM 762 CA GLY A 51 1.390 13.584 4.197 1.00 0.00 C ATOM 763 C GLY A 51 1.845 14.885 3.542 1.00 0.00 C ATOM 764 O GLY A 51 1.934 15.005 2.310 1.00 0.00 O ATOM 0 H GLY A 51 0.012 12.491 3.097 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.541 13.778 4.853 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.190 13.185 4.821 1.00 0.00 H new ATOM 768 N GLU A 52 2.188 15.865 4.374 1.00 0.00 N ATOM 769 CA GLU A 52 2.873 17.074 3.939 1.00 0.00 C ATOM 770 C GLU A 52 4.144 16.659 3.198 1.00 0.00 C ATOM 771 O GLU A 52 4.946 15.895 3.733 1.00 0.00 O ATOM 772 CB GLU A 52 3.192 17.945 5.160 1.00 0.00 C ATOM 773 CG GLU A 52 3.926 19.238 4.779 1.00 0.00 C ATOM 774 CD GLU A 52 4.178 20.083 6.019 1.00 0.00 C ATOM 775 OE1 GLU A 52 3.211 20.725 6.505 1.00 0.00 O ATOM 776 OE2 GLU A 52 5.309 20.069 6.547 1.00 0.00 O ATOM 0 H GLU A 52 1.996 15.840 5.375 1.00 0.00 H new ATOM 0 HA GLU A 52 2.247 17.661 3.267 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.266 18.195 5.677 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.804 17.375 5.860 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.873 18.998 4.295 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.334 19.803 4.059 1.00 0.00 H new ATOM 783 N LYS A 53 4.308 17.141 1.960 1.00 0.00 N ATOM 784 CA LYS A 53 5.511 16.983 1.138 1.00 0.00 C ATOM 785 C LYS A 53 6.013 15.541 0.990 1.00 0.00 C ATOM 786 O LYS A 53 7.170 15.356 0.608 1.00 0.00 O ATOM 787 CB LYS A 53 6.593 17.969 1.632 1.00 0.00 C ATOM 788 CG LYS A 53 6.284 19.420 1.230 1.00 0.00 C ATOM 789 CD LYS A 53 6.457 19.639 -0.285 1.00 0.00 C ATOM 790 CE LYS A 53 6.463 21.117 -0.684 1.00 0.00 C ATOM 791 NZ LYS A 53 5.162 21.776 -0.458 1.00 0.00 N ATOM 0 H LYS A 53 3.577 17.672 1.486 1.00 0.00 H new ATOM 0 HA LYS A 53 5.241 17.237 0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.673 17.904 2.717 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.561 17.679 1.223 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.263 19.669 1.520 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.943 20.097 1.773 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.391 19.178 -0.608 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.651 19.130 -0.814 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.233 21.639 -0.116 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.731 21.203 -1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.224 22.774 -0.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.429 21.299 -1.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.915 21.721 0.551 1.00 0.00 H new ATOM 805 N GLY A 54 5.172 14.525 1.191 1.00 0.00 N ATOM 806 CA GLY A 54 5.570 13.134 1.024 1.00 0.00 C ATOM 807 C GLY A 54 6.146 12.496 2.289 1.00 0.00 C ATOM 808 O GLY A 54 6.718 11.406 2.210 1.00 0.00 O ATOM 0 H GLY A 54 4.199 14.647 1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.705 12.556 0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.312 13.072 0.228 1.00 0.00 H new ATOM 812 N ARG A 55 5.994 13.139 3.452 1.00 0.00 N ATOM 813 CA ARG A 55 6.452 12.665 4.742 1.00 0.00 C ATOM 814 C ARG A 55 5.919 11.275 5.078 1.00 0.00 C ATOM 815 O ARG A 55 6.718 10.399 5.409 1.00 0.00 O ATOM 816 CB ARG A 55 6.022 13.729 5.759 1.00 0.00 C ATOM 817 CG ARG A 55 6.407 13.368 7.184 1.00 0.00 C ATOM 818 CD ARG A 55 6.140 14.565 8.102 1.00 0.00 C ATOM 819 NE ARG A 55 6.080 14.150 9.510 1.00 0.00 N ATOM 820 CZ ARG A 55 6.532 14.820 10.572 1.00 0.00 C ATOM 821 NH1 ARG A 55 7.193 15.968 10.440 1.00 0.00 N ATOM 822 NH2 ARG A 55 6.306 14.321 11.777 1.00 0.00 N ATOM 0 H ARG A 55 5.526 14.043 3.511 1.00 0.00 H new ATOM 0 HA ARG A 55 7.535 12.539 4.750 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.477 14.683 5.495 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.942 13.865 5.702 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.834 12.504 7.519 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.460 13.089 7.228 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.926 15.309 7.972 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.201 15.041 7.820 1.00 0.00 H new ATOM 0 HE ARG A 55 5.643 13.247 9.697 1.00 0.00 H new ATOM 0 HH11 ARG A 55 7.364 16.354 9.512 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.528 16.461 11.267 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.797 13.443 11.878 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.641 14.814 12.604 1.00 0.00 H new ATOM 836 N ARG A 56 4.592 11.071 5.045 1.00 0.00 N ATOM 837 CA ARG A 56 4.057 9.773 5.453 1.00 0.00 C ATOM 838 C ARG A 56 4.463 8.693 4.466 1.00 0.00 C ATOM 839 O ARG A 56 4.830 7.619 4.918 1.00 0.00 O ATOM 840 CB ARG A 56 2.538 9.773 5.669 1.00 0.00 C ATOM 841 CG ARG A 56 2.188 10.100 7.129 1.00 0.00 C ATOM 842 CD ARG A 56 1.468 11.437 7.267 1.00 0.00 C ATOM 843 NE ARG A 56 0.029 11.295 6.967 1.00 0.00 N ATOM 844 CZ ARG A 56 -0.930 10.992 7.853 1.00 0.00 C ATOM 845 NH1 ARG A 56 -0.652 10.880 9.150 1.00 0.00 N ATOM 846 NH2 ARG A 56 -2.180 10.840 7.459 1.00 0.00 N ATOM 0 H ARG A 56 3.899 11.760 4.752 1.00 0.00 H new ATOM 0 HA ARG A 56 4.497 9.555 6.426 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.073 10.504 5.008 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.130 8.798 5.403 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.559 9.308 7.536 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.101 10.119 7.724 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.596 11.821 8.279 1.00 0.00 H new ATOM 0 HD3 ARG A 56 1.914 12.166 6.591 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.261 11.440 6.000 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.302 11.025 9.482 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.393 10.649 9.812 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.422 10.953 6.475 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.905 10.609 8.139 1.00 0.00 H new ATOM 860 N ILE A 57 4.481 8.949 3.157 1.00 0.00 N ATOM 861 CA ILE A 57 4.931 7.916 2.225 1.00 0.00 C ATOM 862 C ILE A 57 6.408 7.553 2.475 1.00 0.00 C ATOM 863 O ILE A 57 6.768 6.381 2.452 1.00 0.00 O ATOM 864 CB ILE A 57 4.574 8.273 0.772 1.00 0.00 C ATOM 865 CG1 ILE A 57 4.852 7.069 -0.151 1.00 0.00 C ATOM 866 CG2 ILE A 57 5.234 9.560 0.273 1.00 0.00 C ATOM 867 CD1 ILE A 57 4.005 7.151 -1.418 1.00 0.00 C ATOM 0 H ILE A 57 4.200 9.831 2.729 1.00 0.00 H new ATOM 0 HA ILE A 57 4.382 6.994 2.415 1.00 0.00 H new ATOM 0 HB ILE A 57 3.506 8.490 0.747 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.909 7.044 -0.416 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.634 6.141 0.378 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.935 9.746 -0.759 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.920 10.396 0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.318 9.456 0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.218 6.292 -2.054 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.948 7.152 -1.150 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.243 8.068 -1.956 1.00 0.00 H new ATOM 879 N ARG A 58 7.272 8.526 2.794 1.00 0.00 N ATOM 880 CA ARG A 58 8.672 8.279 3.162 1.00 0.00 C ATOM 881 C ARG A 58 8.786 7.427 4.423 1.00 0.00 C ATOM 882 O ARG A 58 9.675 6.573 4.498 1.00 0.00 O ATOM 883 CB ARG A 58 9.376 9.634 3.404 1.00 0.00 C ATOM 884 CG ARG A 58 10.159 10.190 2.202 1.00 0.00 C ATOM 885 CD ARG A 58 11.656 10.196 2.531 1.00 0.00 C ATOM 886 NE ARG A 58 12.481 10.775 1.465 1.00 0.00 N ATOM 887 CZ ARG A 58 13.816 10.755 1.434 1.00 0.00 C ATOM 888 NH1 ARG A 58 14.510 10.257 2.451 1.00 0.00 N ATOM 889 NH2 ARG A 58 14.447 11.236 0.373 1.00 0.00 N ATOM 0 H ARG A 58 7.017 9.514 2.804 1.00 0.00 H new ATOM 0 HA ARG A 58 9.145 7.736 2.344 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.626 10.367 3.699 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.062 9.524 4.244 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.972 9.580 1.318 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.822 11.200 1.970 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.817 10.758 3.451 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.984 9.174 2.720 1.00 0.00 H new ATOM 0 HE ARG A 58 11.998 11.227 0.689 1.00 0.00 H new ATOM 0 HH11 ARG A 58 14.024 9.885 3.267 1.00 0.00 H new ATOM 0 HH12 ARG A 58 15.529 10.247 2.416 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.913 11.616 -0.409 1.00 0.00 H new ATOM 0 HH22 ARG A 58 15.466 11.226 0.338 1.00 0.00 H new ATOM 903 N GLU A 59 7.947 7.684 5.429 1.00 0.00 N ATOM 904 CA GLU A 59 7.870 6.827 6.606 1.00 0.00 C ATOM 905 C GLU A 59 7.427 5.431 6.171 1.00 0.00 C ATOM 906 O GLU A 59 8.161 4.472 6.390 1.00 0.00 O ATOM 907 CB GLU A 59 6.937 7.415 7.682 1.00 0.00 C ATOM 908 CG GLU A 59 7.697 8.287 8.689 1.00 0.00 C ATOM 909 CD GLU A 59 6.840 8.643 9.904 1.00 0.00 C ATOM 910 OE1 GLU A 59 6.684 7.791 10.811 1.00 0.00 O ATOM 911 OE2 GLU A 59 6.328 9.785 9.955 1.00 0.00 O ATOM 0 H GLU A 59 7.311 8.482 5.448 1.00 0.00 H new ATOM 0 HA GLU A 59 8.856 6.762 7.067 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.160 8.010 7.202 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.437 6.603 8.210 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.593 7.761 9.019 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.027 9.202 8.198 1.00 0.00 H new ATOM 918 N LEU A 60 6.255 5.318 5.537 1.00 0.00 N ATOM 919 CA LEU A 60 5.598 4.068 5.171 1.00 0.00 C ATOM 920 C LEU A 60 6.502 3.174 4.326 1.00 0.00 C ATOM 921 O LEU A 60 6.569 1.981 4.620 1.00 0.00 O ATOM 922 CB LEU A 60 4.206 4.305 4.566 1.00 0.00 C ATOM 923 CG LEU A 60 3.177 4.796 5.618 1.00 0.00 C ATOM 924 CD1 LEU A 60 1.825 4.998 4.927 1.00 0.00 C ATOM 925 CD2 LEU A 60 2.995 3.840 6.815 1.00 0.00 C ATOM 0 H LEU A 60 5.717 6.137 5.254 1.00 0.00 H new ATOM 0 HA LEU A 60 5.418 3.507 6.088 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.282 5.041 3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.847 3.380 4.115 1.00 0.00 H new ATOM 0 HG LEU A 60 3.568 5.728 6.027 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.092 5.343 5.656 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.928 5.741 4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.492 4.054 4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.260 4.256 7.504 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.649 2.870 6.457 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.947 3.718 7.331 1.00 0.00 H new ATOM 937 N THR A 61 7.265 3.703 3.368 1.00 0.00 N ATOM 938 CA THR A 61 8.271 2.937 2.653 1.00 0.00 C ATOM 939 C THR A 61 9.264 2.285 3.620 1.00 0.00 C ATOM 940 O THR A 61 9.483 1.079 3.526 1.00 0.00 O ATOM 941 CB THR A 61 8.930 3.867 1.626 1.00 0.00 C ATOM 942 OG1 THR A 61 7.921 4.268 0.726 1.00 0.00 O ATOM 943 CG2 THR A 61 10.068 3.219 0.837 1.00 0.00 C ATOM 0 H THR A 61 7.198 4.676 3.070 1.00 0.00 H new ATOM 0 HA THR A 61 7.817 2.103 2.118 1.00 0.00 H new ATOM 0 HB THR A 61 9.378 4.700 2.168 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.407 5.005 1.118 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.480 3.942 0.133 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.850 2.896 1.525 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.687 2.357 0.290 1.00 0.00 H new ATOM 951 N ALA A 62 9.850 3.039 4.554 1.00 0.00 N ATOM 952 CA ALA A 62 10.855 2.527 5.480 1.00 0.00 C ATOM 953 C ALA A 62 10.272 1.503 6.457 1.00 0.00 C ATOM 954 O ALA A 62 10.913 0.483 6.718 1.00 0.00 O ATOM 955 CB ALA A 62 11.471 3.694 6.251 1.00 0.00 C ATOM 0 H ALA A 62 9.637 4.028 4.687 1.00 0.00 H new ATOM 0 HA ALA A 62 11.620 2.015 4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.222 3.316 6.944 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.939 4.386 5.551 1.00 0.00 H new ATOM 0 HB3 ALA A 62 10.692 4.213 6.809 1.00 0.00 H new ATOM 961 N VAL A 63 9.085 1.754 7.024 1.00 0.00 N ATOM 962 CA VAL A 63 8.447 0.789 7.921 1.00 0.00 C ATOM 963 C VAL A 63 8.172 -0.501 7.143 1.00 0.00 C ATOM 964 O VAL A 63 8.592 -1.555 7.617 1.00 0.00 O ATOM 965 CB VAL A 63 7.232 1.382 8.687 1.00 0.00 C ATOM 966 CG1 VAL A 63 6.220 2.031 7.780 1.00 0.00 C ATOM 967 CG2 VAL A 63 6.442 0.396 9.544 1.00 0.00 C ATOM 0 H VAL A 63 8.552 2.611 6.877 1.00 0.00 H new ATOM 0 HA VAL A 63 9.127 0.532 8.733 1.00 0.00 H new ATOM 0 HB VAL A 63 7.727 2.106 9.335 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.397 2.425 8.376 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.693 2.845 7.231 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.837 1.293 7.075 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.618 0.917 10.032 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.045 -0.399 8.912 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.098 -0.035 10.300 1.00 0.00 H new ATOM 977 N VAL A 64 7.554 -0.441 5.954 1.00 0.00 N ATOM 978 CA VAL A 64 7.310 -1.607 5.099 1.00 0.00 C ATOM 979 C VAL A 64 8.621 -2.330 4.801 1.00 0.00 C ATOM 980 O VAL A 64 8.681 -3.555 4.937 1.00 0.00 O ATOM 981 CB VAL A 64 6.565 -1.184 3.810 1.00 0.00 C ATOM 982 CG1 VAL A 64 6.618 -2.241 2.695 1.00 0.00 C ATOM 983 CG2 VAL A 64 5.093 -0.895 4.138 1.00 0.00 C ATOM 0 H VAL A 64 7.206 0.431 5.556 1.00 0.00 H new ATOM 0 HA VAL A 64 6.666 -2.311 5.626 1.00 0.00 H new ATOM 0 HB VAL A 64 7.075 -0.294 3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.076 -1.877 1.822 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.656 -2.432 2.423 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.160 -3.165 3.048 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.569 -0.597 3.230 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.628 -1.792 4.547 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.035 -0.090 4.871 1.00 0.00 H new ATOM 993 N GLN A 65 9.662 -1.592 4.414 1.00 0.00 N ATOM 994 CA GLN A 65 10.963 -2.146 4.095 1.00 0.00 C ATOM 995 C GLN A 65 11.484 -2.997 5.253 1.00 0.00 C ATOM 996 O GLN A 65 11.886 -4.134 5.019 1.00 0.00 O ATOM 997 CB GLN A 65 11.945 -1.018 3.733 1.00 0.00 C ATOM 998 CG GLN A 65 12.110 -0.789 2.226 1.00 0.00 C ATOM 999 CD GLN A 65 13.219 0.228 1.947 1.00 0.00 C ATOM 1000 OE1 GLN A 65 12.988 1.292 1.378 1.00 0.00 O ATOM 1001 NE2 GLN A 65 14.445 -0.043 2.360 1.00 0.00 N ATOM 0 H GLN A 65 9.617 -0.578 4.314 1.00 0.00 H new ATOM 0 HA GLN A 65 10.868 -2.799 3.227 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.603 -0.092 4.195 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.920 -1.248 4.163 1.00 0.00 H new ATOM 0 HG2 GLN A 65 12.344 -1.733 1.734 1.00 0.00 H new ATOM 0 HG3 GLN A 65 11.170 -0.434 1.803 1.00 0.00 H new ATOM 0 HE21 GLN A 65 14.641 -0.925 2.833 1.00 0.00 H new ATOM 0 HE22 GLN A 65 15.196 0.630 2.206 1.00 0.00 H new ATOM 1010 N LYS A 66 11.420 -2.511 6.496 1.00 0.00 N ATOM 1011 CA LYS A 66 11.929 -3.245 7.641 1.00 0.00 C ATOM 1012 C LYS A 66 10.992 -4.402 7.981 1.00 0.00 C ATOM 1013 O LYS A 66 11.453 -5.495 8.305 1.00 0.00 O ATOM 1014 CB LYS A 66 12.125 -2.236 8.786 1.00 0.00 C ATOM 1015 CG LYS A 66 12.146 -2.900 10.161 1.00 0.00 C ATOM 1016 CD LYS A 66 12.456 -1.893 11.267 1.00 0.00 C ATOM 1017 CE LYS A 66 11.969 -2.462 12.598 1.00 0.00 C ATOM 1018 NZ LYS A 66 12.417 -1.644 13.734 1.00 0.00 N ATOM 0 H LYS A 66 11.016 -1.604 6.728 1.00 0.00 H new ATOM 0 HA LYS A 66 12.893 -3.710 7.436 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.060 -1.697 8.633 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.323 -1.498 8.756 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.181 -3.368 10.354 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.893 -3.694 10.171 1.00 0.00 H new ATOM 0 HD2 LYS A 66 13.527 -1.696 11.310 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.965 -0.942 11.060 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.880 -2.515 12.595 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.338 -3.481 12.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.068 -2.060 14.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.456 -1.614 13.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.044 -0.678 13.635 1.00 0.00 H new ATOM 1032 N ARG A 67 9.677 -4.180 7.936 1.00 0.00 N ATOM 1033 CA ARG A 67 8.669 -5.145 8.368 1.00 0.00 C ATOM 1034 C ARG A 67 8.726 -6.381 7.485 1.00 0.00 C ATOM 1035 O ARG A 67 8.807 -7.509 7.970 1.00 0.00 O ATOM 1036 CB ARG A 67 7.281 -4.473 8.314 1.00 0.00 C ATOM 1037 CG ARG A 67 6.261 -5.079 9.287 1.00 0.00 C ATOM 1038 CD ARG A 67 5.485 -6.234 8.647 1.00 0.00 C ATOM 1039 NE ARG A 67 5.533 -7.476 9.427 1.00 0.00 N ATOM 1040 CZ ARG A 67 4.714 -8.515 9.222 1.00 0.00 C ATOM 1041 NH1 ARG A 67 3.773 -8.458 8.288 1.00 0.00 N ATOM 1042 NH2 ARG A 67 4.834 -9.616 9.949 1.00 0.00 N ATOM 0 H ARG A 67 9.277 -3.307 7.591 1.00 0.00 H new ATOM 0 HA ARG A 67 8.862 -5.463 9.393 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.393 -3.411 8.534 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.890 -4.549 7.299 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.776 -5.437 10.178 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.563 -4.307 9.610 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.445 -5.935 8.519 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.887 -6.424 7.652 1.00 0.00 H new ATOM 0 HE ARG A 67 6.230 -7.552 10.168 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.669 -7.618 7.719 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.154 -9.255 8.139 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.553 -9.675 10.670 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.207 -10.404 9.788 1.00 0.00 H new ATOM 1056 N PHE A 68 8.680 -6.152 6.176 1.00 0.00 N ATOM 1057 CA PHE A 68 8.580 -7.173 5.150 1.00 0.00 C ATOM 1058 C PHE A 68 9.955 -7.489 4.542 1.00 0.00 C ATOM 1059 O PHE A 68 10.041 -8.342 3.661 1.00 0.00 O ATOM 1060 CB PHE A 68 7.548 -6.716 4.106 1.00 0.00 C ATOM 1061 CG PHE A 68 6.129 -6.602 4.633 1.00 0.00 C ATOM 1062 CD1 PHE A 68 5.662 -5.397 5.191 1.00 0.00 C ATOM 1063 CD2 PHE A 68 5.261 -7.708 4.549 1.00 0.00 C ATOM 1064 CE1 PHE A 68 4.343 -5.308 5.666 1.00 0.00 C ATOM 1065 CE2 PHE A 68 3.931 -7.604 4.989 1.00 0.00 C ATOM 1066 CZ PHE A 68 3.475 -6.409 5.569 1.00 0.00 C ATOM 0 H PHE A 68 8.713 -5.209 5.790 1.00 0.00 H new ATOM 0 HA PHE A 68 8.235 -8.111 5.584 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.854 -5.748 3.710 1.00 0.00 H new ATOM 0 HB3 PHE A 68 7.557 -7.418 3.272 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.318 -4.541 5.254 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.620 -8.642 4.144 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.994 -4.387 6.109 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.259 -8.443 4.881 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.463 -6.337 5.938 1.00 0.00 H new ATOM 1076 N GLY A 69 11.041 -6.865 5.013 1.00 0.00 N ATOM 1077 CA GLY A 69 12.417 -7.168 4.619 1.00 0.00 C ATOM 1078 C GLY A 69 12.763 -6.750 3.188 1.00 0.00 C ATOM 1079 O GLY A 69 13.722 -7.279 2.617 1.00 0.00 O ATOM 0 H GLY A 69 10.982 -6.113 5.699 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.099 -6.669 5.307 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.586 -8.240 4.724 1.00 0.00 H new ATOM 1083 N PHE A 70 11.985 -5.850 2.580 1.00 0.00 N ATOM 1084 CA PHE A 70 12.162 -5.488 1.180 1.00 0.00 C ATOM 1085 C PHE A 70 13.520 -4.835 0.924 1.00 0.00 C ATOM 1086 O PHE A 70 14.032 -4.149 1.810 1.00 0.00 O ATOM 1087 CB PHE A 70 11.059 -4.545 0.704 1.00 0.00 C ATOM 1088 CG PHE A 70 9.787 -5.268 0.346 1.00 0.00 C ATOM 1089 CD1 PHE A 70 9.766 -6.151 -0.750 1.00 0.00 C ATOM 1090 CD2 PHE A 70 8.637 -5.077 1.127 1.00 0.00 C ATOM 1091 CE1 PHE A 70 8.603 -6.877 -1.042 1.00 0.00 C ATOM 1092 CE2 PHE A 70 7.463 -5.784 0.818 1.00 0.00 C ATOM 1093 CZ PHE A 70 7.455 -6.697 -0.255 1.00 0.00 C ATOM 0 H PHE A 70 11.222 -5.358 3.044 1.00 0.00 H new ATOM 0 HA PHE A 70 12.110 -6.419 0.616 1.00 0.00 H new ATOM 0 HB2 PHE A 70 10.849 -3.815 1.486 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.412 -3.989 -0.164 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.645 -6.269 -1.366 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.654 -4.391 1.961 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.590 -7.572 -1.869 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.568 -5.628 1.402 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.560 -7.261 -0.473 1.00 0.00 H new ATOM 1103 N PRO A 71 14.082 -5.013 -0.282 1.00 0.00 N ATOM 1104 CA PRO A 71 15.301 -4.343 -0.688 1.00 0.00 C ATOM 1105 C PRO A 71 15.002 -2.892 -1.067 1.00 0.00 C ATOM 1106 O PRO A 71 14.063 -2.615 -1.818 1.00 0.00 O ATOM 1107 CB PRO A 71 15.816 -5.142 -1.881 1.00 0.00 C ATOM 1108 CG PRO A 71 14.574 -5.796 -2.489 1.00 0.00 C ATOM 1109 CD PRO A 71 13.508 -5.743 -1.404 1.00 0.00 C ATOM 0 HA PRO A 71 16.044 -4.303 0.109 1.00 0.00 H new ATOM 0 HB2 PRO A 71 16.314 -4.495 -2.603 1.00 0.00 H new ATOM 0 HB3 PRO A 71 16.543 -5.891 -1.569 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.249 -5.264 -3.383 1.00 0.00 H new ATOM 0 HG3 PRO A 71 14.779 -6.824 -2.787 1.00 0.00 H new ATOM 0 HD2 PRO A 71 12.610 -5.245 -1.769 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.215 -6.748 -1.101 1.00 0.00 H new ATOM 1117 N GLU A 72 15.808 -1.971 -0.554 1.00 0.00 N ATOM 1118 CA GLU A 72 15.755 -0.559 -0.892 1.00 0.00 C ATOM 1119 C GLU A 72 15.935 -0.350 -2.396 1.00 0.00 C ATOM 1120 O GLU A 72 16.708 -1.061 -3.036 1.00 0.00 O ATOM 1121 CB GLU A 72 16.858 0.136 -0.099 1.00 0.00 C ATOM 1122 CG GLU A 72 16.844 1.662 -0.256 1.00 0.00 C ATOM 1123 CD GLU A 72 17.860 2.161 -1.284 1.00 0.00 C ATOM 1124 OE1 GLU A 72 19.067 1.888 -1.106 1.00 0.00 O ATOM 1125 OE2 GLU A 72 17.464 2.929 -2.195 1.00 0.00 O ATOM 0 H GLU A 72 16.535 -2.194 0.126 1.00 0.00 H new ATOM 0 HA GLU A 72 14.783 -0.138 -0.636 1.00 0.00 H new ATOM 0 HB2 GLU A 72 16.752 -0.115 0.956 1.00 0.00 H new ATOM 0 HB3 GLU A 72 17.826 -0.247 -0.422 1.00 0.00 H new ATOM 0 HG2 GLU A 72 15.846 1.983 -0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 72 17.053 2.124 0.709 1.00 0.00 H new ATOM 1132 N GLY A 73 15.201 0.607 -2.969 1.00 0.00 N ATOM 1133 CA GLY A 73 15.216 0.942 -4.391 1.00 0.00 C ATOM 1134 C GLY A 73 14.602 -0.143 -5.279 1.00 0.00 C ATOM 1135 O GLY A 73 14.294 0.124 -6.439 1.00 0.00 O ATOM 0 H GLY A 73 14.557 1.190 -2.434 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.673 1.875 -4.542 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.245 1.118 -4.704 1.00 0.00 H new ATOM 1139 N SER A 74 14.369 -1.343 -4.743 1.00 0.00 N ATOM 1140 CA SER A 74 13.724 -2.463 -5.408 1.00 0.00 C ATOM 1141 C SER A 74 12.387 -2.819 -4.735 1.00 0.00 C ATOM 1142 O SER A 74 11.795 -3.857 -5.051 1.00 0.00 O ATOM 1143 CB SER A 74 14.717 -3.622 -5.524 1.00 0.00 C ATOM 1144 OG SER A 74 15.716 -3.308 -6.470 1.00 0.00 O ATOM 0 H SER A 74 14.641 -1.565 -3.785 1.00 0.00 H new ATOM 0 HA SER A 74 13.446 -2.192 -6.427 1.00 0.00 H new ATOM 0 HB2 SER A 74 15.173 -3.820 -4.554 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.195 -4.531 -5.822 1.00 0.00 H new ATOM 0 HG SER A 74 16.349 -4.053 -6.537 1.00 0.00 H new ATOM 1150 N VAL A 75 11.867 -1.925 -3.887 1.00 0.00 N ATOM 1151 CA VAL A 75 10.454 -1.782 -3.562 1.00 0.00 C ATOM 1152 C VAL A 75 10.079 -0.328 -3.820 1.00 0.00 C ATOM 1153 O VAL A 75 10.883 0.565 -3.548 1.00 0.00 O ATOM 1154 CB VAL A 75 10.164 -2.253 -2.116 1.00 0.00 C ATOM 1155 CG1 VAL A 75 10.817 -1.390 -1.014 1.00 0.00 C ATOM 1156 CG2 VAL A 75 8.658 -2.334 -1.821 1.00 0.00 C ATOM 0 H VAL A 75 12.451 -1.253 -3.389 1.00 0.00 H new ATOM 0 HA VAL A 75 9.833 -2.421 -4.189 1.00 0.00 H new ATOM 0 HB VAL A 75 10.616 -3.244 -2.081 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.560 -1.794 -0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.900 -1.400 -1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.453 -0.365 -1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.506 -2.669 -0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.208 -1.350 -1.952 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.190 -3.041 -2.506 1.00 0.00 H new ATOM 1166 N GLU A 76 8.864 -0.089 -4.298 1.00 0.00 N ATOM 1167 CA GLU A 76 8.269 1.224 -4.461 1.00 0.00 C ATOM 1168 C GLU A 76 6.898 1.227 -3.810 1.00 0.00 C ATOM 1169 O GLU A 76 6.219 0.195 -3.770 1.00 0.00 O ATOM 1170 CB GLU A 76 8.140 1.567 -5.953 1.00 0.00 C ATOM 1171 CG GLU A 76 9.205 2.573 -6.392 1.00 0.00 C ATOM 1172 CD GLU A 76 8.900 4.009 -5.956 1.00 0.00 C ATOM 1173 OE1 GLU A 76 8.359 4.239 -4.849 1.00 0.00 O ATOM 1174 OE2 GLU A 76 9.225 4.918 -6.754 1.00 0.00 O ATOM 0 H GLU A 76 8.242 -0.841 -4.595 1.00 0.00 H new ATOM 0 HA GLU A 76 8.904 1.973 -3.988 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.232 0.657 -6.546 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.149 1.976 -6.149 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.169 2.273 -5.981 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.298 2.542 -7.478 1.00 0.00 H new ATOM 1181 N LEU A 77 6.478 2.403 -3.350 1.00 0.00 N ATOM 1182 CA LEU A 77 5.157 2.652 -2.800 1.00 0.00 C ATOM 1183 C LEU A 77 4.566 3.806 -3.600 1.00 0.00 C ATOM 1184 O LEU A 77 5.180 4.869 -3.725 1.00 0.00 O ATOM 1185 CB LEU A 77 5.198 2.993 -1.297 1.00 0.00 C ATOM 1186 CG LEU A 77 5.190 1.780 -0.342 1.00 0.00 C ATOM 1187 CD1 LEU A 77 6.527 1.027 -0.299 1.00 0.00 C ATOM 1188 CD2 LEU A 77 4.837 2.247 1.075 1.00 0.00 C ATOM 0 H LEU A 77 7.071 3.233 -3.352 1.00 0.00 H new ATOM 0 HA LEU A 77 4.546 1.753 -2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.093 3.583 -1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.342 3.625 -1.062 1.00 0.00 H new ATOM 0 HG LEU A 77 4.443 1.086 -0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.450 0.187 0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.768 0.656 -1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.314 1.702 0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.831 1.391 1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.577 2.971 1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.851 2.711 1.070 1.00 0.00 H new ATOM 1200 N TYR A 78 3.355 3.595 -4.095 1.00 0.00 N ATOM 1201 CA TYR A 78 2.522 4.548 -4.803 1.00 0.00 C ATOM 1202 C TYR A 78 1.316 4.855 -3.907 1.00 0.00 C ATOM 1203 O TYR A 78 1.088 4.156 -2.909 1.00 0.00 O ATOM 1204 CB TYR A 78 2.115 3.913 -6.142 1.00 0.00 C ATOM 1205 CG TYR A 78 3.291 3.502 -7.016 1.00 0.00 C ATOM 1206 CD1 TYR A 78 3.858 2.214 -6.907 1.00 0.00 C ATOM 1207 CD2 TYR A 78 3.862 4.435 -7.903 1.00 0.00 C ATOM 1208 CE1 TYR A 78 4.995 1.882 -7.653 1.00 0.00 C ATOM 1209 CE2 TYR A 78 4.989 4.092 -8.671 1.00 0.00 C ATOM 1210 CZ TYR A 78 5.574 2.815 -8.536 1.00 0.00 C ATOM 1211 OH TYR A 78 6.661 2.459 -9.267 1.00 0.00 O ATOM 0 H TYR A 78 2.899 2.687 -4.004 1.00 0.00 H new ATOM 0 HA TYR A 78 3.035 5.485 -5.020 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.499 3.036 -5.944 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.495 4.620 -6.694 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.414 1.484 -6.247 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.431 5.421 -7.994 1.00 0.00 H new ATOM 0 HE1 TYR A 78 5.433 0.900 -7.551 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.407 4.806 -9.365 1.00 0.00 H new ATOM 0 HH TYR A 78 6.939 3.213 -9.828 1.00 0.00 H new ATOM 1221 N ALA A 79 0.532 5.877 -4.250 1.00 0.00 N ATOM 1222 CA ALA A 79 -0.732 6.155 -3.590 1.00 0.00 C ATOM 1223 C ALA A 79 -1.731 6.516 -4.677 1.00 0.00 C ATOM 1224 O ALA A 79 -1.649 7.601 -5.257 1.00 0.00 O ATOM 1225 CB ALA A 79 -0.560 7.278 -2.559 1.00 0.00 C ATOM 0 H ALA A 79 0.761 6.534 -4.996 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.094 5.289 -3.036 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.515 7.475 -2.073 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.173 6.976 -1.811 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.215 8.182 -3.060 1.00 0.00 H new ATOM 1231 N GLU A 80 -2.677 5.619 -4.928 1.00 0.00 N ATOM 1232 CA GLU A 80 -3.733 5.789 -5.908 1.00 0.00 C ATOM 1233 C GLU A 80 -5.040 6.096 -5.187 1.00 0.00 C ATOM 1234 O GLU A 80 -5.159 5.915 -3.968 1.00 0.00 O ATOM 1235 CB GLU A 80 -3.831 4.499 -6.741 1.00 0.00 C ATOM 1236 CG GLU A 80 -4.622 4.633 -8.054 1.00 0.00 C ATOM 1237 CD GLU A 80 -4.208 5.851 -8.886 1.00 0.00 C ATOM 1238 OE1 GLU A 80 -2.994 6.096 -9.045 1.00 0.00 O ATOM 1239 OE2 GLU A 80 -5.098 6.625 -9.320 1.00 0.00 O ATOM 0 H GLU A 80 -2.728 4.726 -4.437 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.519 6.621 -6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.823 4.158 -6.975 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.296 3.725 -6.131 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.482 3.730 -8.649 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.685 4.702 -7.825 1.00 0.00 H new ATOM 1246 N LYS A 81 -6.043 6.554 -5.932 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.309 6.952 -5.358 1.00 0.00 C ATOM 1248 C LYS A 81 -8.425 6.006 -5.796 1.00 0.00 C ATOM 1249 O LYS A 81 -8.473 5.582 -6.946 1.00 0.00 O ATOM 1250 CB LYS A 81 -7.559 8.428 -5.678 1.00 0.00 C ATOM 1251 CG LYS A 81 -9.000 8.777 -5.338 1.00 0.00 C ATOM 1252 CD LYS A 81 -9.226 10.227 -4.958 1.00 0.00 C ATOM 1253 CE LYS A 81 -10.720 10.477 -4.745 1.00 0.00 C ATOM 1254 NZ LYS A 81 -11.522 10.031 -5.906 1.00 0.00 N ATOM 0 H LYS A 81 -5.994 6.656 -6.946 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.286 6.867 -4.272 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.876 9.057 -5.107 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.365 8.622 -6.733 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.630 8.537 -6.195 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.329 8.144 -4.514 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.674 10.465 -4.049 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.846 10.882 -5.742 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.053 9.951 -3.850 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.890 11.540 -4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.461 10.477 -5.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.041 10.305 -6.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -11.629 8.997 -5.877 1.00 0.00 H new ATOM 1268 N VAL A 82 -9.353 5.741 -4.876 1.00 0.00 N ATOM 1269 CA VAL A 82 -10.584 5.010 -5.142 1.00 0.00 C ATOM 1270 C VAL A 82 -11.564 5.850 -5.960 1.00 0.00 C ATOM 1271 O VAL A 82 -11.539 7.090 -5.949 1.00 0.00 O ATOM 1272 CB VAL A 82 -11.251 4.556 -3.826 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -10.365 3.578 -3.056 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -11.676 5.702 -2.914 1.00 0.00 C ATOM 0 H VAL A 82 -9.264 6.037 -3.904 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.318 4.128 -5.724 1.00 0.00 H new ATOM 0 HB VAL A 82 -12.165 4.050 -4.137 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.867 3.280 -2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -10.178 2.696 -3.669 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.417 4.059 -2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -12.136 5.298 -2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -10.802 6.294 -2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.395 6.334 -3.435 1.00 0.00 H new ATOM 1284 N ALA A 83 -12.536 5.155 -6.553 1.00 0.00 N ATOM 1285 CA ALA A 83 -13.774 5.686 -7.109 1.00 0.00 C ATOM 1286 C ALA A 83 -13.606 6.588 -8.339 1.00 0.00 C ATOM 1287 O ALA A 83 -14.630 6.978 -8.903 1.00 0.00 O ATOM 1288 CB ALA A 83 -14.595 6.364 -6.003 1.00 0.00 C ATOM 0 H ALA A 83 -12.472 4.143 -6.663 1.00 0.00 H new ATOM 0 HA ALA A 83 -14.322 4.827 -7.497 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -15.519 6.759 -6.426 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -14.833 5.636 -5.228 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -14.017 7.180 -5.569 1.00 0.00 H new ATOM 1294 N THR A 84 -12.366 6.878 -8.748 1.00 0.00 N ATOM 1295 CA THR A 84 -11.872 7.493 -9.978 1.00 0.00 C ATOM 1296 C THR A 84 -12.960 8.229 -10.779 1.00 0.00 C ATOM 1297 O THR A 84 -13.468 7.732 -11.791 1.00 0.00 O ATOM 1298 CB THR A 84 -11.116 6.406 -10.773 1.00 0.00 C ATOM 1299 OG1 THR A 84 -10.299 5.677 -9.869 1.00 0.00 O ATOM 1300 CG2 THR A 84 -10.218 7.025 -11.847 1.00 0.00 C ATOM 0 H THR A 84 -11.581 6.654 -8.136 1.00 0.00 H new ATOM 0 HA THR A 84 -11.179 8.299 -9.737 1.00 0.00 H new ATOM 0 HB THR A 84 -11.846 5.760 -11.261 1.00 0.00 H new ATOM 0 HG1 THR A 84 -9.812 4.980 -10.357 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.700 6.234 -12.389 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.827 7.602 -12.543 1.00 0.00 H new ATOM 0 HG23 THR A 84 -9.486 7.681 -11.376 1.00 0.00 H new ATOM 1308 N ARG A 85 -13.357 9.419 -10.304 1.00 0.00 N ATOM 1309 CA ARG A 85 -14.399 10.223 -10.940 1.00 0.00 C ATOM 1310 C ARG A 85 -14.173 11.695 -10.634 1.00 0.00 C ATOM 1311 O ARG A 85 -13.581 12.027 -9.601 1.00 0.00 O ATOM 1312 CB ARG A 85 -15.775 9.735 -10.436 1.00 0.00 C ATOM 1313 CG ARG A 85 -16.923 10.032 -11.407 1.00 0.00 C ATOM 1314 CD ARG A 85 -17.720 11.307 -11.087 1.00 0.00 C ATOM 1315 NE ARG A 85 -18.255 11.904 -12.320 1.00 0.00 N ATOM 1316 CZ ARG A 85 -19.165 11.372 -13.144 1.00 0.00 C ATOM 1317 NH1 ARG A 85 -19.842 10.276 -12.800 1.00 0.00 N ATOM 1318 NH2 ARG A 85 -19.386 11.938 -14.325 1.00 0.00 N ATOM 0 H ARG A 85 -12.961 9.847 -9.467 1.00 0.00 H new ATOM 0 HA ARG A 85 -14.366 10.108 -12.023 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -15.728 8.660 -10.259 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -15.990 10.207 -9.477 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -16.516 10.117 -12.415 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -17.607 9.183 -11.410 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -18.538 11.070 -10.406 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -17.078 12.025 -10.577 1.00 0.00 H new ATOM 0 HE ARG A 85 -17.893 12.823 -12.575 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -19.669 9.832 -11.898 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -20.533 9.882 -13.439 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -18.864 12.771 -14.597 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -20.078 11.540 -14.960 1.00 0.00 H new ATOM 1332 N GLY A 86 -14.712 12.579 -11.468 1.00 0.00 N ATOM 1333 CA GLY A 86 -14.481 14.014 -11.428 1.00 0.00 C ATOM 1334 C GLY A 86 -13.769 14.430 -12.707 1.00 0.00 C ATOM 1335 O GLY A 86 -13.199 13.585 -13.407 1.00 0.00 O ATOM 0 H GLY A 86 -15.345 12.302 -12.218 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -15.427 14.546 -11.332 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.879 14.276 -10.558 1.00 0.00 H new ATOM 1339 N SER A 87 -13.765 15.726 -12.999 1.00 0.00 N ATOM 1340 CA SER A 87 -13.265 16.301 -14.235 1.00 0.00 C ATOM 1341 C SER A 87 -12.481 17.547 -13.854 1.00 0.00 C ATOM 1342 O SER A 87 -13.058 18.466 -13.262 1.00 0.00 O ATOM 1343 CB SER A 87 -14.466 16.622 -15.124 1.00 0.00 C ATOM 1344 OG SER A 87 -14.272 16.267 -16.475 1.00 0.00 O ATOM 0 H SER A 87 -14.125 16.429 -12.354 1.00 0.00 H new ATOM 0 HA SER A 87 -12.611 15.627 -14.788 1.00 0.00 H new ATOM 0 HB2 SER A 87 -15.343 16.100 -14.741 1.00 0.00 H new ATOM 0 HB3 SER A 87 -14.679 17.689 -15.063 1.00 0.00 H new ATOM 0 HG SER A 87 -15.073 16.495 -16.991 1.00 0.00 H new ATOM 1350 N GLY A 88 -11.171 17.541 -14.087 1.00 0.00 N ATOM 1351 CA GLY A 88 -10.287 18.550 -13.531 1.00 0.00 C ATOM 1352 C GLY A 88 -10.421 19.898 -14.239 1.00 0.00 C ATOM 1353 O GLY A 88 -10.959 19.959 -15.347 1.00 0.00 O ATOM 0 H GLY A 88 -10.700 16.842 -14.661 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -10.506 18.676 -12.471 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.256 18.205 -13.604 1.00 0.00 H new ATOM 1357 N PRO A 89 -9.908 20.975 -13.620 1.00 0.00 N ATOM 1358 CA PRO A 89 -10.028 22.339 -14.121 1.00 0.00 C ATOM 1359 C PRO A 89 -9.523 22.461 -15.558 1.00 0.00 C ATOM 1360 O PRO A 89 -8.382 22.094 -15.840 1.00 0.00 O ATOM 1361 CB PRO A 89 -9.228 23.210 -13.149 1.00 0.00 C ATOM 1362 CG PRO A 89 -8.421 22.248 -12.284 1.00 0.00 C ATOM 1363 CD PRO A 89 -9.221 20.956 -12.335 1.00 0.00 C ATOM 0 HA PRO A 89 -11.069 22.658 -14.163 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.572 23.893 -13.688 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -9.891 23.821 -12.537 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.412 22.110 -12.674 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.321 22.616 -11.263 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.569 20.087 -12.251 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -9.932 20.902 -11.510 1.00 0.00 H new ATOM 1371 N SER A 90 -10.364 22.947 -16.472 1.00 0.00 N ATOM 1372 CA SER A 90 -10.084 23.021 -17.903 1.00 0.00 C ATOM 1373 C SER A 90 -10.570 24.379 -18.425 1.00 0.00 C ATOM 1374 O SER A 90 -11.269 24.439 -19.438 1.00 0.00 O ATOM 1375 CB SER A 90 -10.743 21.816 -18.596 1.00 0.00 C ATOM 1376 OG SER A 90 -10.474 21.822 -19.983 1.00 0.00 O ATOM 0 H SER A 90 -11.285 23.310 -16.228 1.00 0.00 H new ATOM 0 HA SER A 90 -9.017 22.963 -18.119 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.374 20.891 -18.154 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.820 21.841 -18.430 1.00 0.00 H new ATOM 0 HG SER A 90 -10.686 22.704 -20.354 1.00 0.00 H new ATOM 1382 N SER A 91 -10.211 25.443 -17.698 1.00 0.00 N ATOM 1383 CA SER A 91 -10.834 26.760 -17.695 1.00 0.00 C ATOM 1384 C SER A 91 -12.084 26.655 -16.813 1.00 0.00 C ATOM 1385 O SER A 91 -12.872 25.716 -16.948 1.00 0.00 O ATOM 1386 CB SER A 91 -11.106 27.282 -19.117 1.00 0.00 C ATOM 1387 OG SER A 91 -11.224 28.693 -19.132 1.00 0.00 O ATOM 0 H SER A 91 -9.422 25.397 -17.053 1.00 0.00 H new ATOM 0 HA SER A 91 -10.164 27.512 -17.278 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.297 26.975 -19.780 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.022 26.834 -19.502 1.00 0.00 H new ATOM 0 HG SER A 91 -11.395 28.997 -20.048 1.00 0.00 H new ATOM 1393 N GLY A 92 -12.223 27.590 -15.870 1.00 0.00 N ATOM 1394 CA GLY A 92 -13.052 27.420 -14.687 1.00 0.00 C ATOM 1395 C GLY A 92 -12.099 26.994 -13.596 1.00 0.00 C ATOM 1396 O GLY A 92 -11.421 27.887 -13.043 1.00 0.00 O ATOM 0 H GLY A 92 -11.755 28.495 -15.912 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.561 28.348 -14.426 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -13.824 26.668 -14.851 1.00 0.00 H new TER 1400 GLY A 92