USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 545 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 34 TYR OH : rot -126:sc= 0.866 USER MOD Set 1.2: A 36 SER OG : rot 74:sc= 2.28 USER MOD Set 2.1: A 15 CYS SG : rot 180:sc= 0.623 USER MOD Set 2.2: A 17 SER OG : rot -85:sc= 1.36 USER MOD Set 2.3: A 18 CYS SG : rot 180:sc= 0.0301 USER MOD Single : A 13 MET CE :methyl 179:sc= -2.67! (180deg=-2.67!) USER MOD Single : A 14 THR OG1 : rot -36:sc= 0.959 USER MOD Single : A 20 HIS : no HD1:sc= -0.442 X(o=-0.44,f=-0.0045) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 110:sc= 0 USER MOD Single : A 27 THR OG1 : rot -84:sc= 1.22 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HE2:sc= -1.32 X(o=-1.3,f=-1.3) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.0655 USER MOD Single : A 41 THR OG1 : rot -27:sc= 0.896 USER MOD Single : A 42 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 176:sc= 1.08 (180deg=0.784) USER MOD Single : A 45 HIS : no HE2:sc= 0.85 K(o=0.85,f=-6.4!) USER MOD Single : A 47 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.495) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 61 THR OG1 : rot 74:sc= 1.19 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 12:sc= 1.33 USER MOD ----------------------------------------------------------------- ATOM 39 N GLY A 4 4.751 4.007 -11.811 1.00 0.87 N ATOM 40 CA GLY A 4 5.330 2.702 -11.564 1.00 1.23 C ATOM 41 C GLY A 4 4.407 1.908 -10.648 1.00 1.07 C ATOM 42 O GLY A 4 3.865 2.460 -9.690 1.00 1.58 O ATOM 0 HA2 GLY A 4 5.473 2.171 -12.505 1.00 1.23 H new ATOM 0 HA3 GLY A 4 6.313 2.808 -11.105 1.00 1.23 H new ATOM 46 N VAL A 5 4.238 0.613 -10.929 1.00 0.94 N ATOM 47 CA VAL A 5 3.441 -0.271 -10.093 1.00 0.78 C ATOM 48 C VAL A 5 4.256 -0.671 -8.863 1.00 0.70 C ATOM 49 O VAL A 5 5.486 -0.691 -8.909 1.00 0.99 O ATOM 50 CB VAL A 5 2.963 -1.505 -10.882 1.00 0.97 C ATOM 51 CG1 VAL A 5 2.106 -1.092 -12.085 1.00 2.04 C ATOM 52 CG2 VAL A 5 4.112 -2.401 -11.364 1.00 2.30 C ATOM 0 H VAL A 5 4.651 0.155 -11.741 1.00 0.94 H new ATOM 0 HA VAL A 5 2.546 0.257 -9.765 1.00 0.78 H new ATOM 0 HB VAL A 5 2.365 -2.087 -10.181 1.00 0.97 H new ATOM 0 HG11 VAL A 5 1.782 -1.982 -12.624 1.00 2.04 H new ATOM 0 HG12 VAL A 5 1.232 -0.541 -11.737 1.00 2.04 H new ATOM 0 HG13 VAL A 5 2.693 -0.459 -12.750 1.00 2.04 H new ATOM 0 HG21 VAL A 5 3.705 -3.251 -11.912 1.00 2.30 H new ATOM 0 HG22 VAL A 5 4.770 -1.829 -12.018 1.00 2.30 H new ATOM 0 HG23 VAL A 5 4.678 -2.761 -10.505 1.00 2.30 H new ATOM 62 N LEU A 6 3.573 -0.966 -7.757 1.00 0.68 N ATOM 63 CA LEU A 6 4.204 -1.349 -6.509 1.00 0.62 C ATOM 64 C LEU A 6 3.236 -2.236 -5.737 1.00 0.54 C ATOM 65 O LEU A 6 2.215 -1.745 -5.262 1.00 0.63 O ATOM 66 CB LEU A 6 4.556 -0.074 -5.729 1.00 0.82 C ATOM 67 CG LEU A 6 5.073 -0.326 -4.306 1.00 1.19 C ATOM 68 CD1 LEU A 6 6.283 -1.263 -4.323 1.00 1.64 C ATOM 69 CD2 LEU A 6 5.459 1.009 -3.659 1.00 2.09 C ATOM 0 H LEU A 6 2.554 -0.943 -7.709 1.00 0.68 H new ATOM 0 HA LEU A 6 5.124 -1.909 -6.677 1.00 0.62 H new ATOM 0 HB2 LEU A 6 5.312 0.481 -6.285 1.00 0.82 H new ATOM 0 HB3 LEU A 6 3.671 0.560 -5.674 1.00 0.82 H new ATOM 0 HG LEU A 6 4.281 -0.801 -3.727 1.00 1.19 H new ATOM 0 HD11 LEU A 6 6.631 -1.426 -3.303 1.00 1.64 H new ATOM 0 HD12 LEU A 6 5.998 -2.217 -4.766 1.00 1.64 H new ATOM 0 HD13 LEU A 6 7.083 -0.814 -4.912 1.00 1.64 H new ATOM 0 HD21 LEU A 6 5.826 0.831 -2.648 1.00 2.09 H new ATOM 0 HD22 LEU A 6 6.240 1.487 -4.250 1.00 2.09 H new ATOM 0 HD23 LEU A 6 4.585 1.660 -3.618 1.00 2.09 H new ATOM 81 N GLU A 7 3.553 -3.526 -5.598 1.00 0.72 N ATOM 82 CA GLU A 7 2.753 -4.432 -4.793 1.00 0.84 C ATOM 83 C GLU A 7 3.440 -4.779 -3.494 1.00 0.89 C ATOM 84 O GLU A 7 4.505 -5.400 -3.483 1.00 1.05 O ATOM 85 CB GLU A 7 2.363 -5.687 -5.541 1.00 1.08 C ATOM 86 CG GLU A 7 1.633 -5.271 -6.808 1.00 1.00 C ATOM 87 CD GLU A 7 0.669 -6.340 -7.274 1.00 1.21 C ATOM 88 OE1 GLU A 7 0.835 -7.503 -6.851 1.00 2.86 O ATOM 89 OE2 GLU A 7 -0.367 -6.008 -7.897 1.00 1.53 O ATOM 0 H GLU A 7 4.364 -3.961 -6.038 1.00 0.72 H new ATOM 0 HA GLU A 7 1.833 -3.896 -4.561 1.00 0.84 H new ATOM 0 HB2 GLU A 7 3.248 -6.275 -5.786 1.00 1.08 H new ATOM 0 HB3 GLU A 7 1.724 -6.316 -4.922 1.00 1.08 H new ATOM 0 HG2 GLU A 7 1.089 -4.344 -6.627 1.00 1.00 H new ATOM 0 HG3 GLU A 7 2.358 -5.066 -7.596 1.00 1.00 H new ATOM 96 N LEU A 8 2.790 -4.394 -2.400 1.00 0.87 N ATOM 97 CA LEU A 8 3.217 -4.735 -1.065 1.00 1.06 C ATOM 98 C LEU A 8 2.260 -5.792 -0.525 1.00 0.96 C ATOM 99 O LEU A 8 1.051 -5.568 -0.581 1.00 0.94 O ATOM 100 CB LEU A 8 3.210 -3.474 -0.193 1.00 1.25 C ATOM 101 CG LEU A 8 4.047 -2.332 -0.796 1.00 1.43 C ATOM 102 CD1 LEU A 8 3.948 -1.080 0.079 1.00 2.79 C ATOM 103 CD2 LEU A 8 5.510 -2.753 -0.946 1.00 2.63 C ATOM 0 H LEU A 8 1.941 -3.829 -2.426 1.00 0.87 H new ATOM 0 HA LEU A 8 4.231 -5.134 -1.062 1.00 1.06 H new ATOM 0 HB2 LEU A 8 2.183 -3.135 -0.059 1.00 1.25 H new ATOM 0 HB3 LEU A 8 3.596 -3.719 0.796 1.00 1.25 H new ATOM 0 HG LEU A 8 3.650 -2.104 -1.785 1.00 1.43 H new ATOM 0 HD11 LEU A 8 4.545 -0.281 -0.360 1.00 2.79 H new ATOM 0 HD12 LEU A 8 2.907 -0.762 0.143 1.00 2.79 H new ATOM 0 HD13 LEU A 8 4.321 -1.304 1.078 1.00 2.79 H new ATOM 0 HD21 LEU A 8 6.083 -1.931 -1.374 1.00 2.63 H new ATOM 0 HD22 LEU A 8 5.917 -3.009 0.032 1.00 2.63 H new ATOM 0 HD23 LEU A 8 5.573 -3.620 -1.603 1.00 2.63 H new ATOM 115 N VAL A 9 2.766 -6.908 0.016 1.00 0.99 N ATOM 116 CA VAL A 9 1.922 -7.842 0.743 1.00 0.85 C ATOM 117 C VAL A 9 1.656 -7.234 2.116 1.00 0.81 C ATOM 118 O VAL A 9 2.502 -7.234 3.009 1.00 1.18 O ATOM 119 CB VAL A 9 2.453 -9.290 0.772 1.00 0.89 C ATOM 120 CG1 VAL A 9 3.812 -9.496 1.446 1.00 1.95 C ATOM 121 CG2 VAL A 9 1.427 -10.221 1.431 1.00 1.95 C ATOM 0 H VAL A 9 3.748 -7.177 -0.040 1.00 0.99 H new ATOM 0 HA VAL A 9 0.977 -7.971 0.215 1.00 0.85 H new ATOM 0 HB VAL A 9 2.608 -9.534 -0.279 1.00 0.89 H new ATOM 0 HG11 VAL A 9 4.082 -10.551 1.406 1.00 1.95 H new ATOM 0 HG12 VAL A 9 4.569 -8.908 0.926 1.00 1.95 H new ATOM 0 HG13 VAL A 9 3.755 -9.175 2.486 1.00 1.95 H new ATOM 0 HG21 VAL A 9 1.816 -11.239 1.444 1.00 1.95 H new ATOM 0 HG22 VAL A 9 1.240 -9.891 2.453 1.00 1.95 H new ATOM 0 HG23 VAL A 9 0.496 -10.195 0.865 1.00 1.95 H new ATOM 131 N VAL A 10 0.470 -6.656 2.256 1.00 0.96 N ATOM 132 CA VAL A 10 -0.043 -6.104 3.485 1.00 0.96 C ATOM 133 C VAL A 10 -0.565 -7.281 4.307 1.00 0.90 C ATOM 134 O VAL A 10 -1.766 -7.551 4.386 1.00 1.59 O ATOM 135 CB VAL A 10 -1.131 -5.085 3.145 1.00 0.96 C ATOM 136 CG1 VAL A 10 -1.676 -4.413 4.405 1.00 1.85 C ATOM 137 CG2 VAL A 10 -0.603 -3.998 2.208 1.00 1.82 C ATOM 0 H VAL A 10 -0.182 -6.559 1.478 1.00 0.96 H new ATOM 0 HA VAL A 10 0.713 -5.576 4.067 1.00 0.96 H new ATOM 0 HB VAL A 10 -1.930 -5.637 2.650 1.00 0.96 H new ATOM 0 HG11 VAL A 10 -2.448 -3.694 4.129 1.00 1.85 H new ATOM 0 HG12 VAL A 10 -2.103 -5.168 5.065 1.00 1.85 H new ATOM 0 HG13 VAL A 10 -0.867 -3.896 4.921 1.00 1.85 H new ATOM 0 HG21 VAL A 10 -1.401 -3.290 1.986 1.00 1.82 H new ATOM 0 HG22 VAL A 10 0.224 -3.474 2.688 1.00 1.82 H new ATOM 0 HG23 VAL A 10 -0.255 -4.454 1.281 1.00 1.82 H new ATOM 147 N ARG A 11 0.369 -7.987 4.933 1.00 0.69 N ATOM 148 CA ARG A 11 0.054 -9.115 5.791 1.00 0.83 C ATOM 149 C ARG A 11 -0.437 -8.553 7.126 1.00 0.74 C ATOM 150 O ARG A 11 0.307 -7.861 7.822 1.00 0.88 O ATOM 151 CB ARG A 11 1.270 -10.046 5.962 1.00 1.09 C ATOM 152 CG ARG A 11 2.614 -9.346 5.743 1.00 1.68 C ATOM 153 CD ARG A 11 3.812 -10.176 6.213 1.00 1.94 C ATOM 154 NE ARG A 11 5.060 -9.443 5.935 1.00 3.43 N ATOM 155 CZ ARG A 11 6.252 -9.620 6.528 1.00 4.23 C ATOM 156 NH1 ARG A 11 6.359 -10.336 7.649 1.00 4.14 N ATOM 157 NH2 ARG A 11 7.340 -9.053 5.995 1.00 5.62 N ATOM 0 H ARG A 11 1.367 -7.790 4.858 1.00 0.69 H new ATOM 0 HA ARG A 11 -0.726 -9.730 5.343 1.00 0.83 H new ATOM 0 HB2 ARG A 11 1.252 -10.473 6.965 1.00 1.09 H new ATOM 0 HB3 ARG A 11 1.183 -10.876 5.260 1.00 1.09 H new ATOM 0 HG2 ARG A 11 2.730 -9.121 4.683 1.00 1.68 H new ATOM 0 HG3 ARG A 11 2.610 -8.393 6.273 1.00 1.68 H new ATOM 0 HD2 ARG A 11 3.729 -10.381 7.280 1.00 1.94 H new ATOM 0 HD3 ARG A 11 3.823 -11.139 5.703 1.00 1.94 H new ATOM 0 HE ARG A 11 5.013 -8.723 5.214 1.00 3.43 H new ATOM 0 HH11 ARG A 11 5.529 -10.757 8.066 1.00 4.14 H new ATOM 0 HH12 ARG A 11 7.271 -10.462 8.088 1.00 4.14 H new ATOM 0 HH21 ARG A 11 7.259 -8.493 5.146 1.00 5.62 H new ATOM 0 HH22 ARG A 11 8.250 -9.181 6.437 1.00 5.62 H new ATOM 171 N GLY A 12 -1.706 -8.830 7.446 1.00 0.89 N ATOM 172 CA GLY A 12 -2.325 -8.506 8.727 1.00 0.92 C ATOM 173 C GLY A 12 -3.760 -7.992 8.575 1.00 0.90 C ATOM 174 O GLY A 12 -4.479 -7.868 9.564 1.00 1.45 O ATOM 0 H GLY A 12 -2.343 -9.298 6.802 1.00 0.89 H new ATOM 0 HA2 GLY A 12 -2.326 -9.393 9.360 1.00 0.92 H new ATOM 0 HA3 GLY A 12 -1.725 -7.752 9.236 1.00 0.92 H new ATOM 178 N MET A 13 -4.187 -7.673 7.349 1.00 0.90 N ATOM 179 CA MET A 13 -5.555 -7.240 7.094 1.00 0.90 C ATOM 180 C MET A 13 -6.528 -8.369 7.424 1.00 0.99 C ATOM 181 O MET A 13 -6.191 -9.537 7.229 1.00 1.47 O ATOM 182 CB MET A 13 -5.746 -6.903 5.615 1.00 1.28 C ATOM 183 CG MET A 13 -4.719 -5.935 5.024 1.00 0.78 C ATOM 184 SD MET A 13 -4.561 -6.113 3.231 1.00 1.43 S ATOM 185 CE MET A 13 -6.251 -5.725 2.764 1.00 1.32 C ATOM 0 H MET A 13 -3.598 -7.708 6.517 1.00 0.90 H new ATOM 0 HA MET A 13 -5.744 -6.363 7.713 1.00 0.90 H new ATOM 0 HB2 MET A 13 -5.718 -7.830 5.042 1.00 1.28 H new ATOM 0 HB3 MET A 13 -6.740 -6.476 5.483 1.00 1.28 H new ATOM 0 HG2 MET A 13 -5.009 -4.911 5.261 1.00 0.78 H new ATOM 0 HG3 MET A 13 -3.749 -6.108 5.491 1.00 0.78 H new ATOM 0 HE1 MET A 13 -6.347 -5.766 1.679 1.00 1.32 H new ATOM 0 HE2 MET A 13 -6.929 -6.449 3.216 1.00 1.32 H new ATOM 0 HE3 MET A 13 -6.504 -4.724 3.113 1.00 1.32 H new ATOM 195 N THR A 14 -7.748 -8.031 7.852 1.00 0.88 N ATOM 196 CA THR A 14 -8.779 -9.035 8.094 1.00 1.11 C ATOM 197 C THR A 14 -10.203 -8.459 8.011 1.00 1.19 C ATOM 198 O THR A 14 -11.129 -9.095 8.511 1.00 2.35 O ATOM 199 CB THR A 14 -8.493 -9.736 9.440 1.00 1.39 C ATOM 200 OG1 THR A 14 -9.410 -10.783 9.678 1.00 2.30 O ATOM 201 CG2 THR A 14 -8.520 -8.762 10.624 1.00 1.11 C ATOM 0 H THR A 14 -8.042 -7.072 8.037 1.00 0.88 H new ATOM 0 HA THR A 14 -8.737 -9.778 7.298 1.00 1.11 H new ATOM 0 HB THR A 14 -7.487 -10.147 9.358 1.00 1.39 H new ATOM 0 HG1 THR A 14 -10.292 -10.530 9.333 1.00 2.30 H new ATOM 0 HG21 THR A 14 -8.313 -9.305 11.546 1.00 1.11 H new ATOM 0 HG22 THR A 14 -7.763 -7.992 10.479 1.00 1.11 H new ATOM 0 HG23 THR A 14 -9.503 -8.296 10.690 1.00 1.11 H new ATOM 209 N CYS A 15 -10.411 -7.281 7.404 1.00 0.68 N ATOM 210 CA CYS A 15 -11.725 -6.638 7.391 1.00 0.72 C ATOM 211 C CYS A 15 -11.727 -5.422 6.455 1.00 0.66 C ATOM 212 O CYS A 15 -10.687 -4.791 6.264 1.00 1.06 O ATOM 213 CB CYS A 15 -12.107 -6.224 8.822 1.00 1.14 C ATOM 214 SG CYS A 15 -13.725 -5.416 8.830 1.00 2.22 S ATOM 0 H CYS A 15 -9.683 -6.758 6.917 1.00 0.68 H new ATOM 0 HA CYS A 15 -12.464 -7.346 7.016 1.00 0.72 H new ATOM 0 HB2 CYS A 15 -12.128 -7.101 9.469 1.00 1.14 H new ATOM 0 HB3 CYS A 15 -11.353 -5.548 9.226 1.00 1.14 H new ATOM 0 HG CYS A 15 -14.034 -5.075 10.046 1.00 2.22 H new ATOM 220 N ALA A 16 -12.897 -5.086 5.891 1.00 0.56 N ATOM 221 CA ALA A 16 -13.159 -3.894 5.086 1.00 0.56 C ATOM 222 C ALA A 16 -12.571 -2.618 5.706 1.00 0.65 C ATOM 223 O ALA A 16 -12.107 -1.727 5.001 1.00 1.21 O ATOM 224 CB ALA A 16 -14.672 -3.738 4.903 1.00 0.66 C ATOM 0 H ALA A 16 -13.726 -5.672 5.992 1.00 0.56 H new ATOM 0 HA ALA A 16 -12.668 -4.030 4.122 1.00 0.56 H new ATOM 0 HB1 ALA A 16 -14.876 -2.851 4.303 1.00 0.66 H new ATOM 0 HB2 ALA A 16 -15.070 -4.618 4.397 1.00 0.66 H new ATOM 0 HB3 ALA A 16 -15.148 -3.634 5.878 1.00 0.66 H new ATOM 230 N SER A 17 -12.594 -2.527 7.034 1.00 0.46 N ATOM 231 CA SER A 17 -11.937 -1.465 7.784 1.00 0.47 C ATOM 232 C SER A 17 -10.423 -1.429 7.516 1.00 0.51 C ATOM 233 O SER A 17 -9.930 -0.501 6.887 1.00 0.80 O ATOM 234 CB SER A 17 -12.235 -1.679 9.262 1.00 0.62 C ATOM 235 OG SER A 17 -11.810 -2.981 9.620 1.00 0.71 O ATOM 0 H SER A 17 -13.078 -3.201 7.626 1.00 0.46 H new ATOM 0 HA SER A 17 -12.323 -0.498 7.462 1.00 0.47 H new ATOM 0 HB2 SER A 17 -11.718 -0.932 9.865 1.00 0.62 H new ATOM 0 HB3 SER A 17 -13.301 -1.562 9.455 1.00 0.62 H new ATOM 0 HG SER A 17 -12.519 -3.625 9.414 1.00 0.71 H new ATOM 241 N CYS A 18 -9.675 -2.431 7.993 1.00 0.49 N ATOM 242 CA CYS A 18 -8.252 -2.613 7.723 1.00 0.58 C ATOM 243 C CYS A 18 -7.942 -2.289 6.269 1.00 0.56 C ATOM 244 O CYS A 18 -6.989 -1.571 5.986 1.00 0.66 O ATOM 245 CB CYS A 18 -7.809 -4.059 7.999 1.00 0.84 C ATOM 246 SG CYS A 18 -8.099 -4.567 9.708 1.00 1.31 S ATOM 0 H CYS A 18 -10.060 -3.158 8.596 1.00 0.49 H new ATOM 0 HA CYS A 18 -7.711 -1.937 8.385 1.00 0.58 H new ATOM 0 HB2 CYS A 18 -8.344 -4.732 7.329 1.00 0.84 H new ATOM 0 HB3 CYS A 18 -6.748 -4.159 7.770 1.00 0.84 H new ATOM 0 HG CYS A 18 -7.705 -5.795 9.868 1.00 1.31 H new ATOM 252 N VAL A 19 -8.777 -2.807 5.365 1.00 0.54 N ATOM 253 CA VAL A 19 -8.709 -2.486 3.954 1.00 0.56 C ATOM 254 C VAL A 19 -8.742 -0.966 3.730 1.00 0.53 C ATOM 255 O VAL A 19 -7.726 -0.357 3.387 1.00 0.61 O ATOM 256 CB VAL A 19 -9.812 -3.259 3.204 1.00 0.60 C ATOM 257 CG1 VAL A 19 -10.175 -2.690 1.829 1.00 0.67 C ATOM 258 CG2 VAL A 19 -9.443 -4.734 3.047 1.00 0.78 C ATOM 0 H VAL A 19 -9.520 -3.464 5.602 1.00 0.54 H new ATOM 0 HA VAL A 19 -7.755 -2.810 3.538 1.00 0.56 H new ATOM 0 HB VAL A 19 -10.694 -3.146 3.834 1.00 0.60 H new ATOM 0 HG11 VAL A 19 -10.959 -3.299 1.378 1.00 0.67 H new ATOM 0 HG12 VAL A 19 -10.531 -1.666 1.941 1.00 0.67 H new ATOM 0 HG13 VAL A 19 -9.294 -2.699 1.187 1.00 0.67 H new ATOM 0 HG21 VAL A 19 -10.240 -5.254 2.514 1.00 0.78 H new ATOM 0 HG22 VAL A 19 -8.514 -4.819 2.483 1.00 0.78 H new ATOM 0 HG23 VAL A 19 -9.312 -5.183 4.032 1.00 0.78 H new ATOM 268 N HIS A 20 -9.906 -0.339 3.919 1.00 0.49 N ATOM 269 CA HIS A 20 -10.123 1.026 3.460 1.00 0.57 C ATOM 270 C HIS A 20 -9.296 2.038 4.252 1.00 0.56 C ATOM 271 O HIS A 20 -9.016 3.132 3.764 1.00 0.60 O ATOM 272 CB HIS A 20 -11.623 1.341 3.339 1.00 0.67 C ATOM 273 CG HIS A 20 -12.373 1.906 4.526 1.00 0.66 C ATOM 274 ND1 HIS A 20 -13.567 2.586 4.434 1.00 1.07 N ATOM 275 CD2 HIS A 20 -12.071 1.811 5.857 1.00 0.65 C ATOM 276 CE1 HIS A 20 -13.956 2.896 5.683 1.00 1.04 C ATOM 277 NE2 HIS A 20 -13.076 2.445 6.587 1.00 0.82 N ATOM 0 H HIS A 20 -10.709 -0.759 4.387 1.00 0.49 H new ATOM 0 HA HIS A 20 -9.739 1.120 2.444 1.00 0.57 H new ATOM 0 HB2 HIS A 20 -11.742 2.045 2.515 1.00 0.67 H new ATOM 0 HB3 HIS A 20 -12.126 0.419 3.046 1.00 0.67 H new ATOM 0 HD2 HIS A 20 -11.200 1.326 6.273 1.00 0.65 H new ATOM 0 HE1 HIS A 20 -14.859 3.437 5.926 1.00 1.04 H new ATOM 0 HE2 HIS A 20 -13.130 2.545 7.601 1.00 0.82 H new ATOM 285 N LYS A 21 -8.872 1.664 5.462 1.00 0.53 N ATOM 286 CA LYS A 21 -7.976 2.444 6.292 1.00 0.50 C ATOM 287 C LYS A 21 -6.697 2.743 5.514 1.00 0.47 C ATOM 288 O LYS A 21 -6.239 3.885 5.503 1.00 0.48 O ATOM 289 CB LYS A 21 -7.688 1.663 7.585 1.00 0.51 C ATOM 290 CG LYS A 21 -6.751 2.375 8.573 1.00 0.47 C ATOM 291 CD LYS A 21 -7.347 3.702 9.059 1.00 1.85 C ATOM 292 CE LYS A 21 -6.555 4.254 10.255 1.00 2.27 C ATOM 293 NZ LYS A 21 -7.135 5.511 10.773 1.00 3.82 N ATOM 0 H LYS A 21 -9.155 0.785 5.895 1.00 0.53 H new ATOM 0 HA LYS A 21 -8.432 3.396 6.563 1.00 0.50 H new ATOM 0 HB2 LYS A 21 -8.634 1.457 8.087 1.00 0.51 H new ATOM 0 HB3 LYS A 21 -7.251 0.700 7.321 1.00 0.51 H new ATOM 0 HG2 LYS A 21 -6.561 1.726 9.428 1.00 0.47 H new ATOM 0 HG3 LYS A 21 -5.790 2.561 8.094 1.00 0.47 H new ATOM 0 HD2 LYS A 21 -7.339 4.428 8.246 1.00 1.85 H new ATOM 0 HD3 LYS A 21 -8.389 3.555 9.344 1.00 1.85 H new ATOM 0 HE2 LYS A 21 -6.535 3.509 11.051 1.00 2.27 H new ATOM 0 HE3 LYS A 21 -5.522 4.428 9.956 1.00 2.27 H new ATOM 0 HZ1 LYS A 21 -6.570 5.848 11.579 1.00 3.82 H new ATOM 0 HZ2 LYS A 21 -7.131 6.231 10.022 1.00 3.82 H new ATOM 0 HZ3 LYS A 21 -8.113 5.340 11.083 1.00 3.82 H new ATOM 307 N ILE A 22 -6.119 1.722 4.875 1.00 0.48 N ATOM 308 CA ILE A 22 -4.868 1.866 4.148 1.00 0.45 C ATOM 309 C ILE A 22 -5.083 2.854 3.010 1.00 0.46 C ATOM 310 O ILE A 22 -4.426 3.889 2.965 1.00 0.47 O ATOM 311 CB ILE A 22 -4.375 0.503 3.643 1.00 0.43 C ATOM 312 CG1 ILE A 22 -4.057 -0.407 4.839 1.00 0.45 C ATOM 313 CG2 ILE A 22 -3.128 0.663 2.758 1.00 0.49 C ATOM 314 CD1 ILE A 22 -4.092 -1.876 4.437 1.00 0.57 C ATOM 0 H ILE A 22 -6.508 0.779 4.851 1.00 0.48 H new ATOM 0 HA ILE A 22 -4.090 2.252 4.807 1.00 0.45 H new ATOM 0 HB ILE A 22 -5.163 0.051 3.041 1.00 0.43 H new ATOM 0 HG12 ILE A 22 -3.073 -0.159 5.236 1.00 0.45 H new ATOM 0 HG13 ILE A 22 -4.777 -0.228 5.637 1.00 0.45 H new ATOM 0 HG21 ILE A 22 -2.799 -0.317 2.413 1.00 0.49 H new ATOM 0 HG22 ILE A 22 -3.370 1.288 1.898 1.00 0.49 H new ATOM 0 HG23 ILE A 22 -2.330 1.132 3.334 1.00 0.49 H new ATOM 0 HD11 ILE A 22 -3.863 -2.496 5.304 1.00 0.57 H new ATOM 0 HD12 ILE A 22 -5.085 -2.127 4.063 1.00 0.57 H new ATOM 0 HD13 ILE A 22 -3.353 -2.057 3.656 1.00 0.57 H new ATOM 326 N GLU A 23 -6.015 2.542 2.108 1.00 0.48 N ATOM 327 CA GLU A 23 -6.346 3.385 0.970 1.00 0.55 C ATOM 328 C GLU A 23 -6.590 4.824 1.425 1.00 0.53 C ATOM 329 O GLU A 23 -5.869 5.736 1.024 1.00 0.58 O ATOM 330 CB GLU A 23 -7.563 2.782 0.260 1.00 0.68 C ATOM 331 CG GLU A 23 -7.146 1.504 -0.484 1.00 1.25 C ATOM 332 CD GLU A 23 -8.309 0.584 -0.833 1.00 1.88 C ATOM 333 OE1 GLU A 23 -9.447 0.903 -0.430 1.00 2.29 O ATOM 334 OE2 GLU A 23 -8.021 -0.446 -1.483 1.00 3.19 O ATOM 0 H GLU A 23 -6.565 1.684 2.153 1.00 0.48 H new ATOM 0 HA GLU A 23 -5.516 3.421 0.265 1.00 0.55 H new ATOM 0 HB2 GLU A 23 -8.344 2.554 0.986 1.00 0.68 H new ATOM 0 HB3 GLU A 23 -7.981 3.503 -0.442 1.00 0.68 H new ATOM 0 HG2 GLU A 23 -6.628 1.783 -1.402 1.00 1.25 H new ATOM 0 HG3 GLU A 23 -6.433 0.954 0.130 1.00 1.25 H new ATOM 341 N SER A 24 -7.586 5.018 2.292 1.00 0.54 N ATOM 342 CA SER A 24 -7.963 6.324 2.810 1.00 0.62 C ATOM 343 C SER A 24 -6.750 7.054 3.392 1.00 0.65 C ATOM 344 O SER A 24 -6.557 8.235 3.115 1.00 0.83 O ATOM 345 CB SER A 24 -9.086 6.159 3.844 1.00 0.67 C ATOM 346 OG SER A 24 -9.545 7.415 4.305 1.00 1.03 O ATOM 0 H SER A 24 -8.159 4.257 2.656 1.00 0.54 H new ATOM 0 HA SER A 24 -8.338 6.942 1.994 1.00 0.62 H new ATOM 0 HB2 SER A 24 -9.914 5.607 3.400 1.00 0.67 H new ATOM 0 HB3 SER A 24 -8.725 5.569 4.686 1.00 0.67 H new ATOM 0 HG SER A 24 -10.261 7.281 4.961 1.00 1.03 H new ATOM 352 N SER A 25 -5.913 6.362 4.173 1.00 0.54 N ATOM 353 CA SER A 25 -4.698 6.959 4.702 1.00 0.55 C ATOM 354 C SER A 25 -3.770 7.381 3.564 1.00 0.61 C ATOM 355 O SER A 25 -3.458 8.562 3.426 1.00 0.85 O ATOM 356 CB SER A 25 -4.017 6.002 5.691 1.00 0.52 C ATOM 357 OG SER A 25 -2.977 6.656 6.394 1.00 0.87 O ATOM 0 H SER A 25 -6.061 5.391 4.448 1.00 0.54 H new ATOM 0 HA SER A 25 -4.954 7.862 5.256 1.00 0.55 H new ATOM 0 HB2 SER A 25 -4.753 5.619 6.397 1.00 0.52 H new ATOM 0 HB3 SER A 25 -3.614 5.144 5.153 1.00 0.52 H new ATOM 0 HG SER A 25 -3.241 6.777 7.330 1.00 0.87 H new ATOM 363 N LEU A 26 -3.288 6.440 2.754 1.00 0.48 N ATOM 364 CA LEU A 26 -2.191 6.758 1.855 1.00 0.52 C ATOM 365 C LEU A 26 -2.623 7.747 0.776 1.00 0.48 C ATOM 366 O LEU A 26 -1.840 8.600 0.369 1.00 0.53 O ATOM 367 CB LEU A 26 -1.561 5.524 1.215 1.00 0.57 C ATOM 368 CG LEU A 26 -1.179 4.402 2.185 1.00 0.70 C ATOM 369 CD1 LEU A 26 -0.864 3.159 1.354 1.00 1.48 C ATOM 370 CD2 LEU A 26 0.020 4.790 3.053 1.00 1.81 C ATOM 0 H LEU A 26 -3.630 5.480 2.704 1.00 0.48 H new ATOM 0 HA LEU A 26 -1.426 7.222 2.477 1.00 0.52 H new ATOM 0 HB2 LEU A 26 -2.257 5.123 0.478 1.00 0.57 H new ATOM 0 HB3 LEU A 26 -0.667 5.833 0.674 1.00 0.57 H new ATOM 0 HG LEU A 26 -2.007 4.209 2.867 1.00 0.70 H new ATOM 0 HD11 LEU A 26 -0.587 2.339 2.017 1.00 1.48 H new ATOM 0 HD12 LEU A 26 -1.743 2.877 0.774 1.00 1.48 H new ATOM 0 HD13 LEU A 26 -0.037 3.374 0.677 1.00 1.48 H new ATOM 0 HD21 LEU A 26 0.261 3.969 3.728 1.00 1.81 H new ATOM 0 HD22 LEU A 26 0.879 4.999 2.415 1.00 1.81 H new ATOM 0 HD23 LEU A 26 -0.225 5.679 3.635 1.00 1.81 H new ATOM 382 N THR A 27 -3.878 7.683 0.327 1.00 0.49 N ATOM 383 CA THR A 27 -4.375 8.636 -0.658 1.00 0.57 C ATOM 384 C THR A 27 -4.306 10.094 -0.161 1.00 0.74 C ATOM 385 O THR A 27 -4.437 11.014 -0.965 1.00 1.32 O ATOM 386 CB THR A 27 -5.774 8.229 -1.138 1.00 0.60 C ATOM 387 OG1 THR A 27 -6.673 8.112 -0.056 1.00 1.97 O ATOM 388 CG2 THR A 27 -5.736 6.924 -1.942 1.00 2.02 C ATOM 0 H THR A 27 -4.560 6.987 0.628 1.00 0.49 H new ATOM 0 HA THR A 27 -3.711 8.602 -1.522 1.00 0.57 H new ATOM 0 HB THR A 27 -6.130 9.022 -1.796 1.00 0.60 H new ATOM 0 HG1 THR A 27 -6.591 7.220 0.343 1.00 1.97 H new ATOM 0 HG21 THR A 27 -6.744 6.667 -2.266 1.00 2.02 H new ATOM 0 HG22 THR A 27 -5.097 7.053 -2.815 1.00 2.02 H new ATOM 0 HG23 THR A 27 -5.340 6.123 -1.317 1.00 2.02 H new ATOM 396 N LYS A 28 -4.056 10.328 1.136 1.00 0.72 N ATOM 397 CA LYS A 28 -3.741 11.655 1.651 1.00 0.71 C ATOM 398 C LYS A 28 -2.440 12.185 1.038 1.00 0.70 C ATOM 399 O LYS A 28 -2.332 13.378 0.761 1.00 0.90 O ATOM 400 CB LYS A 28 -3.602 11.612 3.180 1.00 0.70 C ATOM 401 CG LYS A 28 -4.869 11.104 3.889 1.00 1.74 C ATOM 402 CD LYS A 28 -5.907 12.202 4.162 1.00 2.97 C ATOM 403 CE LYS A 28 -5.485 13.128 5.314 1.00 3.56 C ATOM 404 NZ LYS A 28 -6.511 14.149 5.605 1.00 4.81 N ATOM 0 H LYS A 28 -4.068 9.600 1.850 1.00 0.72 H new ATOM 0 HA LYS A 28 -4.557 12.324 1.378 1.00 0.71 H new ATOM 0 HB2 LYS A 28 -2.763 10.969 3.444 1.00 0.70 H new ATOM 0 HB3 LYS A 28 -3.365 12.611 3.545 1.00 0.70 H new ATOM 0 HG2 LYS A 28 -5.328 10.326 3.279 1.00 1.74 H new ATOM 0 HG3 LYS A 28 -4.585 10.642 4.834 1.00 1.74 H new ATOM 0 HD2 LYS A 28 -6.054 12.793 3.258 1.00 2.97 H new ATOM 0 HD3 LYS A 28 -6.866 11.742 4.401 1.00 2.97 H new ATOM 0 HE2 LYS A 28 -5.301 12.533 6.209 1.00 3.56 H new ATOM 0 HE3 LYS A 28 -4.546 13.619 5.059 1.00 3.56 H new ATOM 0 HZ1 LYS A 28 -6.188 14.753 6.388 1.00 4.81 H new ATOM 0 HZ2 LYS A 28 -6.669 14.733 4.759 1.00 4.81 H new ATOM 0 HZ3 LYS A 28 -7.400 13.681 5.873 1.00 4.81 H new ATOM 418 N HIS A 29 -1.432 11.323 0.865 1.00 0.62 N ATOM 419 CA HIS A 29 -0.169 11.734 0.274 1.00 0.70 C ATOM 420 C HIS A 29 -0.407 12.003 -1.214 1.00 0.95 C ATOM 421 O HIS A 29 -0.838 11.106 -1.939 1.00 2.37 O ATOM 422 CB HIS A 29 0.907 10.644 0.410 1.00 0.71 C ATOM 423 CG HIS A 29 1.012 9.909 1.728 1.00 0.76 C ATOM 424 ND1 HIS A 29 1.648 10.334 2.873 1.00 1.61 N ATOM 425 CD2 HIS A 29 0.720 8.584 1.911 1.00 0.62 C ATOM 426 CE1 HIS A 29 1.691 9.284 3.719 1.00 1.49 C ATOM 427 NE2 HIS A 29 1.127 8.199 3.179 1.00 0.78 N ATOM 0 H HIS A 29 -1.473 10.338 1.128 1.00 0.62 H new ATOM 0 HA HIS A 29 0.185 12.624 0.794 1.00 0.70 H new ATOM 0 HB2 HIS A 29 0.733 9.904 -0.372 1.00 0.71 H new ATOM 0 HB3 HIS A 29 1.874 11.103 0.206 1.00 0.71 H new ATOM 0 HD1 HIS A 29 2.018 11.268 3.049 1.00 1.61 H new ATOM 0 HD2 HIS A 29 0.248 7.941 1.183 1.00 0.62 H new ATOM 0 HE1 HIS A 29 2.126 9.316 4.707 1.00 1.49 H new ATOM 435 N ARG A 30 -0.044 13.191 -1.706 1.00 1.05 N ATOM 436 CA ARG A 30 -0.052 13.521 -3.132 1.00 0.94 C ATOM 437 C ARG A 30 1.147 12.866 -3.839 1.00 0.90 C ATOM 438 O ARG A 30 1.918 13.527 -4.528 1.00 1.64 O ATOM 439 CB ARG A 30 -0.101 15.048 -3.297 1.00 1.12 C ATOM 440 CG ARG A 30 -0.503 15.470 -4.718 1.00 2.47 C ATOM 441 CD ARG A 30 -0.502 17.000 -4.833 1.00 3.04 C ATOM 442 NE ARG A 30 -0.817 17.444 -6.202 1.00 4.62 N ATOM 443 CZ ARG A 30 -2.046 17.514 -6.737 1.00 5.52 C ATOM 444 NH1 ARG A 30 -3.108 17.130 -6.020 1.00 5.53 N ATOM 445 NH2 ARG A 30 -2.208 17.966 -7.986 1.00 7.14 N ATOM 0 H ARG A 30 0.268 13.961 -1.115 1.00 1.05 H new ATOM 0 HA ARG A 30 -0.942 13.116 -3.613 1.00 0.94 H new ATOM 0 HB2 ARG A 30 -0.810 15.465 -2.582 1.00 1.12 H new ATOM 0 HB3 ARG A 30 0.876 15.468 -3.059 1.00 1.12 H new ATOM 0 HG2 ARG A 30 0.190 15.043 -5.443 1.00 2.47 H new ATOM 0 HG3 ARG A 30 -1.493 15.080 -4.955 1.00 2.47 H new ATOM 0 HD2 ARG A 30 -1.231 17.418 -4.138 1.00 3.04 H new ATOM 0 HD3 ARG A 30 0.475 17.386 -4.541 1.00 3.04 H new ATOM 0 HE ARG A 30 -0.034 17.722 -6.794 1.00 4.62 H new ATOM 0 HH11 ARG A 30 -2.983 16.785 -5.068 1.00 5.53 H new ATOM 0 HH12 ARG A 30 -4.043 17.183 -6.425 1.00 5.53 H new ATOM 0 HH21 ARG A 30 -1.397 18.258 -8.532 1.00 7.14 H new ATOM 0 HH22 ARG A 30 -3.142 18.019 -8.392 1.00 7.14 H new ATOM 459 N GLY A 31 1.332 11.571 -3.587 1.00 0.65 N ATOM 460 CA GLY A 31 2.480 10.771 -3.974 1.00 0.84 C ATOM 461 C GLY A 31 2.031 9.423 -4.530 1.00 0.69 C ATOM 462 O GLY A 31 2.590 8.923 -5.503 1.00 0.74 O ATOM 0 H GLY A 31 0.639 11.025 -3.076 1.00 0.65 H new ATOM 0 HA2 GLY A 31 3.065 11.303 -4.724 1.00 0.84 H new ATOM 0 HA3 GLY A 31 3.130 10.617 -3.113 1.00 0.84 H new ATOM 466 N ILE A 32 1.005 8.832 -3.911 1.00 0.79 N ATOM 467 CA ILE A 32 0.415 7.593 -4.376 1.00 0.68 C ATOM 468 C ILE A 32 -0.505 7.962 -5.538 1.00 0.67 C ATOM 469 O ILE A 32 -1.436 8.746 -5.365 1.00 0.80 O ATOM 470 CB ILE A 32 -0.332 6.898 -3.219 1.00 0.68 C ATOM 471 CG1 ILE A 32 0.623 6.287 -2.183 1.00 1.74 C ATOM 472 CG2 ILE A 32 -1.172 5.734 -3.726 1.00 1.98 C ATOM 473 CD1 ILE A 32 1.211 7.357 -1.280 1.00 2.91 C ATOM 0 H ILE A 32 0.565 9.208 -3.071 1.00 0.79 H new ATOM 0 HA ILE A 32 1.165 6.880 -4.718 1.00 0.68 H new ATOM 0 HB ILE A 32 -0.942 7.681 -2.769 1.00 0.68 H new ATOM 0 HG12 ILE A 32 0.089 5.552 -1.581 1.00 1.74 H new ATOM 0 HG13 ILE A 32 1.427 5.756 -2.694 1.00 1.74 H new ATOM 0 HG21 ILE A 32 -1.686 5.264 -2.888 1.00 1.98 H new ATOM 0 HG22 ILE A 32 -1.907 6.101 -4.443 1.00 1.98 H new ATOM 0 HG23 ILE A 32 -0.525 5.003 -4.211 1.00 1.98 H new ATOM 0 HD11 ILE A 32 1.883 6.894 -0.557 1.00 2.91 H new ATOM 0 HD12 ILE A 32 1.766 8.077 -1.882 1.00 2.91 H new ATOM 0 HD13 ILE A 32 0.407 7.869 -0.752 1.00 2.91 H new ATOM 485 N LEU A 33 -0.230 7.414 -6.722 1.00 0.77 N ATOM 486 CA LEU A 33 -1.013 7.663 -7.922 1.00 0.98 C ATOM 487 C LEU A 33 -2.181 6.689 -7.996 1.00 1.06 C ATOM 488 O LEU A 33 -3.204 7.011 -8.597 1.00 1.35 O ATOM 489 CB LEU A 33 -0.113 7.573 -9.162 1.00 1.28 C ATOM 490 CG LEU A 33 1.000 8.638 -9.165 1.00 1.34 C ATOM 491 CD1 LEU A 33 1.985 8.332 -10.295 1.00 2.04 C ATOM 492 CD2 LEU A 33 0.444 10.055 -9.350 1.00 1.31 C ATOM 0 H LEU A 33 0.553 6.778 -6.871 1.00 0.77 H new ATOM 0 HA LEU A 33 -1.427 8.670 -7.886 1.00 0.98 H new ATOM 0 HB2 LEU A 33 0.338 6.582 -9.208 1.00 1.28 H new ATOM 0 HB3 LEU A 33 -0.723 7.688 -10.058 1.00 1.28 H new ATOM 0 HG LEU A 33 1.499 8.601 -8.196 1.00 1.34 H new ATOM 0 HD11 LEU A 33 2.775 9.083 -10.302 1.00 2.04 H new ATOM 0 HD12 LEU A 33 2.423 7.346 -10.139 1.00 2.04 H new ATOM 0 HD13 LEU A 33 1.460 8.349 -11.250 1.00 2.04 H new ATOM 0 HD21 LEU A 33 1.265 10.772 -9.346 1.00 1.31 H new ATOM 0 HD22 LEU A 33 -0.086 10.117 -10.300 1.00 1.31 H new ATOM 0 HD23 LEU A 33 -0.243 10.285 -8.536 1.00 1.31 H new ATOM 504 N TYR A 34 -2.060 5.510 -7.379 1.00 0.89 N ATOM 505 CA TYR A 34 -3.177 4.598 -7.265 1.00 0.90 C ATOM 506 C TYR A 34 -2.957 3.695 -6.060 1.00 0.67 C ATOM 507 O TYR A 34 -1.810 3.484 -5.676 1.00 0.62 O ATOM 508 CB TYR A 34 -3.280 3.783 -8.554 1.00 1.17 C ATOM 509 CG TYR A 34 -4.594 3.062 -8.679 1.00 1.29 C ATOM 510 CD1 TYR A 34 -5.761 3.812 -8.891 1.00 1.81 C ATOM 511 CD2 TYR A 34 -4.677 1.693 -8.380 1.00 2.38 C ATOM 512 CE1 TYR A 34 -7.017 3.208 -8.739 1.00 1.88 C ATOM 513 CE2 TYR A 34 -5.933 1.081 -8.273 1.00 2.46 C ATOM 514 CZ TYR A 34 -7.105 1.845 -8.414 1.00 1.53 C ATOM 515 OH TYR A 34 -8.322 1.282 -8.178 1.00 1.71 O ATOM 0 H TYR A 34 -1.195 5.174 -6.954 1.00 0.89 H new ATOM 0 HA TYR A 34 -4.110 5.143 -7.122 1.00 0.90 H new ATOM 0 HB2 TYR A 34 -3.151 4.446 -9.410 1.00 1.17 H new ATOM 0 HB3 TYR A 34 -2.467 3.058 -8.587 1.00 1.17 H new ATOM 0 HD1 TYR A 34 -5.692 4.853 -9.171 1.00 1.81 H new ATOM 0 HD2 TYR A 34 -3.777 1.114 -8.233 1.00 2.38 H new ATOM 0 HE1 TYR A 34 -7.916 3.791 -8.872 1.00 1.88 H new ATOM 0 HE2 TYR A 34 -6.001 0.020 -8.082 1.00 2.46 H new ATOM 0 HH TYR A 34 -8.314 0.840 -7.304 1.00 1.71 H new ATOM 525 N CYS A 35 -4.035 3.159 -5.483 1.00 0.70 N ATOM 526 CA CYS A 35 -3.996 2.146 -4.442 1.00 0.67 C ATOM 527 C CYS A 35 -5.249 1.296 -4.587 1.00 0.83 C ATOM 528 O CYS A 35 -6.344 1.840 -4.732 1.00 1.55 O ATOM 529 CB CYS A 35 -3.949 2.776 -3.051 1.00 0.68 C ATOM 530 SG CYS A 35 -3.796 1.418 -1.865 1.00 1.97 S ATOM 0 H CYS A 35 -4.984 3.430 -5.739 1.00 0.70 H new ATOM 0 HA CYS A 35 -3.096 1.541 -4.550 1.00 0.67 H new ATOM 0 HB2 CYS A 35 -3.105 3.461 -2.965 1.00 0.68 H new ATOM 0 HB3 CYS A 35 -4.851 3.357 -2.859 1.00 0.68 H new ATOM 0 HG CYS A 35 -3.749 1.899 -0.658 1.00 1.97 H new ATOM 536 N SER A 36 -5.109 -0.027 -4.580 1.00 0.46 N ATOM 537 CA SER A 36 -6.206 -0.917 -4.246 1.00 0.49 C ATOM 538 C SER A 36 -5.642 -2.080 -3.443 1.00 0.39 C ATOM 539 O SER A 36 -4.766 -2.791 -3.942 1.00 0.45 O ATOM 540 CB SER A 36 -6.943 -1.380 -5.504 1.00 0.81 C ATOM 541 OG SER A 36 -7.587 -0.270 -6.099 1.00 1.71 O ATOM 0 H SER A 36 -4.236 -0.505 -4.805 1.00 0.46 H new ATOM 0 HA SER A 36 -6.948 -0.395 -3.642 1.00 0.49 H new ATOM 0 HB2 SER A 36 -6.241 -1.829 -6.207 1.00 0.81 H new ATOM 0 HB3 SER A 36 -7.674 -2.147 -5.250 1.00 0.81 H new ATOM 0 HG SER A 36 -6.920 0.300 -6.535 1.00 1.71 H new ATOM 547 N VAL A 37 -6.104 -2.242 -2.200 1.00 0.39 N ATOM 548 CA VAL A 37 -5.622 -3.280 -1.300 1.00 0.43 C ATOM 549 C VAL A 37 -6.585 -4.472 -1.273 1.00 0.47 C ATOM 550 O VAL A 37 -7.608 -4.474 -0.591 1.00 0.60 O ATOM 551 CB VAL A 37 -5.202 -2.686 0.060 1.00 0.62 C ATOM 552 CG1 VAL A 37 -6.355 -2.309 0.993 1.00 1.05 C ATOM 553 CG2 VAL A 37 -4.245 -3.655 0.756 1.00 1.84 C ATOM 0 H VAL A 37 -6.828 -1.650 -1.792 1.00 0.39 H new ATOM 0 HA VAL A 37 -4.696 -3.712 -1.679 1.00 0.43 H new ATOM 0 HB VAL A 37 -4.711 -1.739 -0.164 1.00 0.62 H new ATOM 0 HG11 VAL A 37 -5.954 -1.901 1.921 1.00 1.05 H new ATOM 0 HG12 VAL A 37 -6.984 -1.561 0.510 1.00 1.05 H new ATOM 0 HG13 VAL A 37 -6.949 -3.196 1.213 1.00 1.05 H new ATOM 0 HG21 VAL A 37 -3.944 -3.241 1.718 1.00 1.84 H new ATOM 0 HG22 VAL A 37 -4.745 -4.611 0.913 1.00 1.84 H new ATOM 0 HG23 VAL A 37 -3.363 -3.805 0.134 1.00 1.84 H new ATOM 563 N ALA A 38 -6.263 -5.509 -2.052 1.00 0.53 N ATOM 564 CA ALA A 38 -7.117 -6.666 -2.215 1.00 0.60 C ATOM 565 C ALA A 38 -6.788 -7.674 -1.120 1.00 0.57 C ATOM 566 O ALA A 38 -5.846 -8.457 -1.252 1.00 0.59 O ATOM 567 CB ALA A 38 -6.920 -7.243 -3.617 1.00 0.72 C ATOM 0 H ALA A 38 -5.395 -5.560 -2.586 1.00 0.53 H new ATOM 0 HA ALA A 38 -8.169 -6.397 -2.118 1.00 0.60 H new ATOM 0 HB1 ALA A 38 -7.561 -8.115 -3.745 1.00 0.72 H new ATOM 0 HB2 ALA A 38 -7.180 -6.489 -4.360 1.00 0.72 H new ATOM 0 HB3 ALA A 38 -5.878 -7.537 -3.747 1.00 0.72 H new ATOM 573 N LEU A 39 -7.586 -7.668 -0.046 1.00 0.59 N ATOM 574 CA LEU A 39 -7.442 -8.587 1.081 1.00 0.69 C ATOM 575 C LEU A 39 -7.336 -10.038 0.616 1.00 0.76 C ATOM 576 O LEU A 39 -6.584 -10.814 1.196 1.00 0.82 O ATOM 577 CB LEU A 39 -8.560 -8.365 2.119 1.00 0.90 C ATOM 578 CG LEU A 39 -9.897 -9.083 1.852 1.00 1.57 C ATOM 579 CD1 LEU A 39 -9.933 -10.472 2.507 1.00 2.65 C ATOM 580 CD2 LEU A 39 -11.049 -8.258 2.439 1.00 2.64 C ATOM 0 H LEU A 39 -8.361 -7.013 0.063 1.00 0.59 H new ATOM 0 HA LEU A 39 -6.500 -8.366 1.583 1.00 0.69 H new ATOM 0 HB2 LEU A 39 -8.190 -8.684 3.093 1.00 0.90 H new ATOM 0 HB3 LEU A 39 -8.755 -7.295 2.187 1.00 0.90 H new ATOM 0 HG LEU A 39 -9.999 -9.193 0.772 1.00 1.57 H new ATOM 0 HD11 LEU A 39 -10.891 -10.948 2.297 1.00 2.65 H new ATOM 0 HD12 LEU A 39 -9.127 -11.085 2.104 1.00 2.65 H new ATOM 0 HD13 LEU A 39 -9.807 -10.369 3.585 1.00 2.65 H new ATOM 0 HD21 LEU A 39 -11.994 -8.767 2.250 1.00 2.64 H new ATOM 0 HD22 LEU A 39 -10.906 -8.147 3.514 1.00 2.64 H new ATOM 0 HD23 LEU A 39 -11.067 -7.274 1.971 1.00 2.64 H new ATOM 592 N ALA A 40 -8.033 -10.389 -0.471 1.00 0.84 N ATOM 593 CA ALA A 40 -8.047 -11.740 -1.024 1.00 0.99 C ATOM 594 C ALA A 40 -6.635 -12.236 -1.338 1.00 0.98 C ATOM 595 O ALA A 40 -6.372 -13.434 -1.300 1.00 1.12 O ATOM 596 CB ALA A 40 -8.897 -11.757 -2.295 1.00 1.08 C ATOM 0 H ALA A 40 -8.609 -9.731 -0.995 1.00 0.84 H new ATOM 0 HA ALA A 40 -8.475 -12.409 -0.278 1.00 0.99 H new ATOM 0 HB1 ALA A 40 -8.910 -12.765 -2.711 1.00 1.08 H new ATOM 0 HB2 ALA A 40 -9.915 -11.450 -2.056 1.00 1.08 H new ATOM 0 HB3 ALA A 40 -8.473 -11.068 -3.026 1.00 1.08 H new ATOM 602 N THR A 41 -5.740 -11.304 -1.673 1.00 0.85 N ATOM 603 CA THR A 41 -4.348 -11.561 -1.993 1.00 0.86 C ATOM 604 C THR A 41 -3.440 -10.816 -1.000 1.00 0.80 C ATOM 605 O THR A 41 -2.236 -10.725 -1.238 1.00 0.88 O ATOM 606 CB THR A 41 -4.126 -11.201 -3.478 1.00 0.85 C ATOM 607 OG1 THR A 41 -2.762 -11.178 -3.854 1.00 1.57 O ATOM 608 CG2 THR A 41 -4.798 -9.896 -3.905 1.00 1.33 C ATOM 0 H THR A 41 -5.982 -10.315 -1.729 1.00 0.85 H new ATOM 0 HA THR A 41 -4.084 -12.612 -1.881 1.00 0.86 H new ATOM 0 HB THR A 41 -4.614 -12.017 -4.012 1.00 0.85 H new ATOM 0 HG1 THR A 41 -2.211 -10.968 -3.072 1.00 1.57 H new ATOM 0 HG21 THR A 41 -4.597 -9.711 -4.960 1.00 1.33 H new ATOM 0 HG22 THR A 41 -5.874 -9.973 -3.749 1.00 1.33 H new ATOM 0 HG23 THR A 41 -4.403 -9.072 -3.311 1.00 1.33 H new ATOM 616 N ASN A 42 -4.008 -10.281 0.094 1.00 0.74 N ATOM 617 CA ASN A 42 -3.362 -9.412 1.080 1.00 0.73 C ATOM 618 C ASN A 42 -2.380 -8.435 0.426 1.00 0.67 C ATOM 619 O ASN A 42 -1.318 -8.169 0.975 1.00 0.89 O ATOM 620 CB ASN A 42 -2.714 -10.257 2.198 1.00 1.00 C ATOM 621 CG ASN A 42 -3.665 -10.501 3.366 1.00 0.89 C ATOM 622 OD1 ASN A 42 -4.310 -11.540 3.445 1.00 1.79 O ATOM 623 ND2 ASN A 42 -3.741 -9.559 4.304 1.00 1.29 N ATOM 0 H ASN A 42 -4.986 -10.456 0.323 1.00 0.74 H new ATOM 0 HA ASN A 42 -4.128 -8.791 1.545 1.00 0.73 H new ATOM 0 HB2 ASN A 42 -2.394 -11.215 1.787 1.00 1.00 H new ATOM 0 HB3 ASN A 42 -1.819 -9.751 2.561 1.00 1.00 H new ATOM 0 HD21 ASN A 42 -4.347 -9.693 5.113 1.00 1.29 H new ATOM 0 HD22 ASN A 42 -3.193 -8.703 4.213 1.00 1.29 H new ATOM 630 N LYS A 43 -2.719 -7.892 -0.748 1.00 0.54 N ATOM 631 CA LYS A 43 -1.772 -7.149 -1.575 1.00 0.53 C ATOM 632 C LYS A 43 -2.305 -5.746 -1.826 1.00 0.49 C ATOM 633 O LYS A 43 -3.472 -5.595 -2.184 1.00 0.58 O ATOM 634 CB LYS A 43 -1.450 -7.949 -2.851 1.00 0.54 C ATOM 635 CG LYS A 43 -1.021 -7.119 -4.073 1.00 0.60 C ATOM 636 CD LYS A 43 -2.217 -6.797 -4.987 1.00 0.75 C ATOM 637 CE LYS A 43 -2.576 -7.950 -5.935 1.00 0.75 C ATOM 638 NZ LYS A 43 -1.622 -8.114 -7.051 1.00 1.08 N ATOM 0 H LYS A 43 -3.655 -7.957 -1.148 1.00 0.54 H new ATOM 0 HA LYS A 43 -0.820 -7.021 -1.060 1.00 0.53 H new ATOM 0 HB2 LYS A 43 -0.655 -8.659 -2.621 1.00 0.54 H new ATOM 0 HB3 LYS A 43 -2.330 -8.532 -3.123 1.00 0.54 H new ATOM 0 HG2 LYS A 43 -0.558 -6.191 -3.739 1.00 0.60 H new ATOM 0 HG3 LYS A 43 -0.267 -7.666 -4.639 1.00 0.60 H new ATOM 0 HD2 LYS A 43 -3.084 -6.557 -4.371 1.00 0.75 H new ATOM 0 HD3 LYS A 43 -1.989 -5.908 -5.575 1.00 0.75 H new ATOM 0 HE2 LYS A 43 -2.619 -8.878 -5.365 1.00 0.75 H new ATOM 0 HE3 LYS A 43 -3.573 -7.779 -6.342 1.00 0.75 H new ATOM 0 HZ1 LYS A 43 -1.885 -8.949 -7.612 1.00 1.08 H new ATOM 0 HZ2 LYS A 43 -1.647 -7.268 -7.656 1.00 1.08 H new ATOM 0 HZ3 LYS A 43 -0.662 -8.240 -6.671 1.00 1.08 H new ATOM 652 N ALA A 44 -1.439 -4.741 -1.656 1.00 0.42 N ATOM 653 CA ALA A 44 -1.696 -3.352 -2.002 1.00 0.39 C ATOM 654 C ALA A 44 -1.121 -3.145 -3.378 1.00 0.38 C ATOM 655 O ALA A 44 0.085 -2.954 -3.487 1.00 0.53 O ATOM 656 CB ALA A 44 -1.029 -2.395 -1.005 1.00 0.47 C ATOM 0 H ALA A 44 -0.510 -4.885 -1.260 1.00 0.42 H new ATOM 0 HA ALA A 44 -2.765 -3.143 -1.974 1.00 0.39 H new ATOM 0 HB1 ALA A 44 -1.240 -1.365 -1.292 1.00 0.47 H new ATOM 0 HB2 ALA A 44 -1.421 -2.581 -0.005 1.00 0.47 H new ATOM 0 HB3 ALA A 44 0.049 -2.559 -1.009 1.00 0.47 H new ATOM 662 N HIS A 45 -1.971 -3.141 -4.405 1.00 0.35 N ATOM 663 CA HIS A 45 -1.536 -2.662 -5.698 1.00 0.37 C ATOM 664 C HIS A 45 -1.529 -1.153 -5.566 1.00 0.36 C ATOM 665 O HIS A 45 -2.553 -0.496 -5.750 1.00 0.48 O ATOM 666 CB HIS A 45 -2.469 -3.122 -6.817 1.00 0.45 C ATOM 667 CG HIS A 45 -1.884 -2.816 -8.165 1.00 0.55 C ATOM 668 ND1 HIS A 45 -1.124 -3.666 -8.929 1.00 0.94 N ATOM 669 CD2 HIS A 45 -1.799 -1.573 -8.719 1.00 0.53 C ATOM 670 CE1 HIS A 45 -0.632 -2.956 -9.955 1.00 1.03 C ATOM 671 NE2 HIS A 45 -1.017 -1.669 -9.875 1.00 0.75 N ATOM 0 H HIS A 45 -2.940 -3.458 -4.361 1.00 0.35 H new ATOM 0 HA HIS A 45 -0.556 -3.055 -5.967 1.00 0.37 H new ATOM 0 HB2 HIS A 45 -2.648 -4.194 -6.729 1.00 0.45 H new ATOM 0 HB3 HIS A 45 -3.435 -2.628 -6.715 1.00 0.45 H new ATOM 0 HD1 HIS A 45 -0.963 -4.657 -8.749 1.00 0.94 H new ATOM 0 HD2 HIS A 45 -2.255 -0.673 -8.333 1.00 0.53 H new ATOM 0 HE1 HIS A 45 -0.011 -3.362 -10.739 1.00 1.03 H new ATOM 679 N ILE A 46 -0.368 -0.626 -5.199 1.00 0.39 N ATOM 680 CA ILE A 46 -0.085 0.783 -5.306 1.00 0.39 C ATOM 681 C ILE A 46 0.419 1.024 -6.718 1.00 0.47 C ATOM 682 O ILE A 46 1.041 0.149 -7.326 1.00 0.90 O ATOM 683 CB ILE A 46 0.932 1.180 -4.229 1.00 0.50 C ATOM 684 CG1 ILE A 46 0.234 1.171 -2.862 1.00 0.77 C ATOM 685 CG2 ILE A 46 1.576 2.550 -4.478 1.00 0.83 C ATOM 686 CD1 ILE A 46 1.187 0.590 -1.826 1.00 1.12 C ATOM 0 H ILE A 46 0.403 -1.175 -4.818 1.00 0.39 H new ATOM 0 HA ILE A 46 -0.967 1.401 -5.137 1.00 0.39 H new ATOM 0 HB ILE A 46 1.742 0.451 -4.259 1.00 0.50 H new ATOM 0 HG12 ILE A 46 -0.057 2.183 -2.581 1.00 0.77 H new ATOM 0 HG13 ILE A 46 -0.679 0.578 -2.909 1.00 0.77 H new ATOM 0 HG21 ILE A 46 2.285 2.769 -3.680 1.00 0.83 H new ATOM 0 HG22 ILE A 46 2.099 2.538 -5.434 1.00 0.83 H new ATOM 0 HG23 ILE A 46 0.802 3.318 -4.497 1.00 0.83 H new ATOM 0 HD11 ILE A 46 0.701 0.579 -0.850 1.00 1.12 H new ATOM 0 HD12 ILE A 46 1.456 -0.428 -2.109 1.00 1.12 H new ATOM 0 HD13 ILE A 46 2.087 1.202 -1.776 1.00 1.12 H new ATOM 698 N LYS A 47 0.171 2.227 -7.230 1.00 0.53 N ATOM 699 CA LYS A 47 0.995 2.783 -8.278 1.00 0.71 C ATOM 700 C LYS A 47 1.461 4.157 -7.792 1.00 0.68 C ATOM 701 O LYS A 47 0.712 4.840 -7.086 1.00 0.77 O ATOM 702 CB LYS A 47 0.244 2.845 -9.607 1.00 1.02 C ATOM 703 CG LYS A 47 -0.374 1.501 -10.005 1.00 0.90 C ATOM 704 CD LYS A 47 -0.826 1.465 -11.473 1.00 0.99 C ATOM 705 CE LYS A 47 -2.017 2.388 -11.767 1.00 1.68 C ATOM 706 NZ LYS A 47 -1.601 3.759 -12.123 1.00 3.00 N ATOM 0 H LYS A 47 -0.596 2.829 -6.930 1.00 0.53 H new ATOM 0 HA LYS A 47 1.860 2.151 -8.476 1.00 0.71 H new ATOM 0 HB2 LYS A 47 -0.544 3.596 -9.539 1.00 1.02 H new ATOM 0 HB3 LYS A 47 0.928 3.171 -10.390 1.00 1.02 H new ATOM 0 HG2 LYS A 47 0.353 0.707 -9.834 1.00 0.90 H new ATOM 0 HG3 LYS A 47 -1.229 1.295 -9.361 1.00 0.90 H new ATOM 0 HD2 LYS A 47 0.011 1.750 -12.110 1.00 0.99 H new ATOM 0 HD3 LYS A 47 -1.094 0.442 -11.738 1.00 0.99 H new ATOM 0 HE2 LYS A 47 -2.604 1.967 -12.583 1.00 1.68 H new ATOM 0 HE3 LYS A 47 -2.667 2.425 -10.893 1.00 1.68 H new ATOM 0 HZ1 LYS A 47 -2.109 4.442 -11.526 1.00 3.00 H new ATOM 0 HZ2 LYS A 47 -0.577 3.861 -11.972 1.00 3.00 H new ATOM 0 HZ3 LYS A 47 -1.823 3.941 -13.123 1.00 3.00 H new ATOM 720 N TYR A 48 2.703 4.536 -8.097 1.00 0.79 N ATOM 721 CA TYR A 48 3.357 5.719 -7.549 1.00 0.77 C ATOM 722 C TYR A 48 4.480 6.149 -8.493 1.00 0.81 C ATOM 723 O TYR A 48 4.765 5.441 -9.459 1.00 1.03 O ATOM 724 CB TYR A 48 3.900 5.425 -6.137 1.00 0.83 C ATOM 725 CG TYR A 48 5.232 4.691 -6.084 1.00 0.92 C ATOM 726 CD1 TYR A 48 5.394 3.438 -6.708 1.00 1.60 C ATOM 727 CD2 TYR A 48 6.341 5.301 -5.469 1.00 1.96 C ATOM 728 CE1 TYR A 48 6.661 2.834 -6.760 1.00 1.69 C ATOM 729 CE2 TYR A 48 7.583 4.647 -5.432 1.00 2.06 C ATOM 730 CZ TYR A 48 7.747 3.420 -6.089 1.00 1.22 C ATOM 731 OH TYR A 48 8.958 2.793 -6.058 1.00 1.38 O ATOM 0 H TYR A 48 3.293 4.016 -8.746 1.00 0.79 H new ATOM 0 HA TYR A 48 2.636 6.532 -7.462 1.00 0.77 H new ATOM 0 HB2 TYR A 48 4.005 6.370 -5.604 1.00 0.83 H new ATOM 0 HB3 TYR A 48 3.159 4.835 -5.598 1.00 0.83 H new ATOM 0 HD1 TYR A 48 4.542 2.941 -7.147 1.00 1.60 H new ATOM 0 HD2 TYR A 48 6.236 6.279 -5.022 1.00 1.96 H new ATOM 0 HE1 TYR A 48 6.800 1.919 -7.316 1.00 1.69 H new ATOM 0 HE2 TYR A 48 8.411 5.089 -4.898 1.00 2.06 H new ATOM 0 HH TYR A 48 9.596 3.339 -5.552 1.00 1.38 H new ATOM 741 N ASP A 49 5.136 7.276 -8.198 1.00 0.86 N ATOM 742 CA ASP A 49 6.335 7.712 -8.903 1.00 0.98 C ATOM 743 C ASP A 49 7.472 7.866 -7.888 1.00 0.86 C ATOM 744 O ASP A 49 7.275 8.564 -6.888 1.00 0.82 O ATOM 745 CB ASP A 49 6.062 9.020 -9.662 1.00 1.26 C ATOM 746 CG ASP A 49 6.164 8.789 -11.157 1.00 2.36 C ATOM 747 OD1 ASP A 49 7.305 8.587 -11.614 1.00 3.53 O ATOM 748 OD2 ASP A 49 5.098 8.746 -11.810 1.00 3.07 O ATOM 0 H ASP A 49 4.844 7.913 -7.457 1.00 0.86 H new ATOM 0 HA ASP A 49 6.629 6.970 -9.645 1.00 0.98 H new ATOM 0 HB2 ASP A 49 5.069 9.394 -9.411 1.00 1.26 H new ATOM 0 HB3 ASP A 49 6.777 9.783 -9.355 1.00 1.26 H new ATOM 753 N PRO A 50 8.636 7.216 -8.095 1.00 0.94 N ATOM 754 CA PRO A 50 9.726 7.150 -7.127 1.00 0.96 C ATOM 755 C PRO A 50 10.513 8.465 -7.076 1.00 1.12 C ATOM 756 O PRO A 50 11.715 8.498 -7.332 1.00 2.21 O ATOM 757 CB PRO A 50 10.581 5.959 -7.577 1.00 0.98 C ATOM 758 CG PRO A 50 10.424 5.997 -9.095 1.00 1.15 C ATOM 759 CD PRO A 50 8.961 6.408 -9.262 1.00 1.13 C ATOM 0 HA PRO A 50 9.368 7.011 -6.107 1.00 0.96 H new ATOM 0 HB2 PRO A 50 11.622 6.069 -7.274 1.00 0.98 H new ATOM 0 HB3 PRO A 50 10.223 5.020 -7.155 1.00 0.98 H new ATOM 0 HG2 PRO A 50 11.103 6.714 -9.556 1.00 1.15 H new ATOM 0 HG3 PRO A 50 10.628 5.027 -9.549 1.00 1.15 H new ATOM 0 HD2 PRO A 50 8.818 6.975 -10.182 1.00 1.13 H new ATOM 0 HD3 PRO A 50 8.314 5.533 -9.323 1.00 1.13 H new ATOM 767 N GLU A 51 9.820 9.545 -6.714 1.00 1.15 N ATOM 768 CA GLU A 51 10.342 10.898 -6.612 1.00 1.31 C ATOM 769 C GLU A 51 9.335 11.798 -5.891 1.00 1.17 C ATOM 770 O GLU A 51 9.715 12.562 -5.006 1.00 1.67 O ATOM 771 CB GLU A 51 10.739 11.459 -7.988 1.00 1.49 C ATOM 772 CG GLU A 51 9.669 11.334 -9.081 1.00 1.59 C ATOM 773 CD GLU A 51 10.110 12.080 -10.334 1.00 2.42 C ATOM 774 OE1 GLU A 51 11.110 11.635 -10.938 1.00 2.81 O ATOM 775 OE2 GLU A 51 9.468 13.108 -10.635 1.00 3.57 O ATOM 0 H GLU A 51 8.830 9.492 -6.473 1.00 1.15 H new ATOM 0 HA GLU A 51 11.255 10.872 -6.018 1.00 1.31 H new ATOM 0 HB2 GLU A 51 10.995 12.512 -7.872 1.00 1.49 H new ATOM 0 HB3 GLU A 51 11.640 10.947 -8.325 1.00 1.49 H new ATOM 0 HG2 GLU A 51 9.498 10.283 -9.315 1.00 1.59 H new ATOM 0 HG3 GLU A 51 8.723 11.738 -8.722 1.00 1.59 H new ATOM 782 N ILE A 52 8.044 11.680 -6.225 1.00 0.94 N ATOM 783 CA ILE A 52 6.986 12.358 -5.493 1.00 1.17 C ATOM 784 C ILE A 52 6.795 11.662 -4.152 1.00 1.11 C ATOM 785 O ILE A 52 6.436 12.307 -3.168 1.00 1.45 O ATOM 786 CB ILE A 52 5.682 12.448 -6.309 1.00 1.30 C ATOM 787 CG1 ILE A 52 5.139 11.079 -6.756 1.00 2.00 C ATOM 788 CG2 ILE A 52 5.912 13.358 -7.523 1.00 1.61 C ATOM 789 CD1 ILE A 52 3.816 11.187 -7.523 1.00 2.69 C ATOM 0 H ILE A 52 7.713 11.114 -7.006 1.00 0.94 H new ATOM 0 HA ILE A 52 7.278 13.392 -5.311 1.00 1.17 H new ATOM 0 HB ILE A 52 4.919 12.869 -5.654 1.00 1.30 H new ATOM 0 HG12 ILE A 52 5.880 10.587 -7.386 1.00 2.00 H new ATOM 0 HG13 ILE A 52 4.995 10.446 -5.880 1.00 2.00 H new ATOM 0 HG21 ILE A 52 4.993 13.427 -8.106 1.00 1.61 H new ATOM 0 HG22 ILE A 52 6.201 14.352 -7.183 1.00 1.61 H new ATOM 0 HG23 ILE A 52 6.705 12.942 -8.144 1.00 1.61 H new ATOM 0 HD11 ILE A 52 3.481 10.191 -7.813 1.00 2.69 H new ATOM 0 HD12 ILE A 52 3.063 11.652 -6.886 1.00 2.69 H new ATOM 0 HD13 ILE A 52 3.962 11.795 -8.416 1.00 2.69 H new ATOM 801 N ILE A 53 7.061 10.353 -4.104 1.00 0.81 N ATOM 802 CA ILE A 53 7.151 9.621 -2.860 1.00 0.60 C ATOM 803 C ILE A 53 8.067 8.420 -3.070 1.00 0.90 C ATOM 804 O ILE A 53 8.138 7.901 -4.182 1.00 2.37 O ATOM 805 CB ILE A 53 5.733 9.241 -2.404 1.00 0.54 C ATOM 806 CG1 ILE A 53 5.751 9.017 -0.898 1.00 0.83 C ATOM 807 CG2 ILE A 53 5.154 8.050 -3.174 1.00 0.84 C ATOM 808 CD1 ILE A 53 4.357 8.811 -0.305 1.00 1.30 C ATOM 0 H ILE A 53 7.218 9.781 -4.933 1.00 0.81 H new ATOM 0 HA ILE A 53 7.588 10.222 -2.062 1.00 0.60 H new ATOM 0 HB ILE A 53 5.057 10.064 -2.635 1.00 0.54 H new ATOM 0 HG12 ILE A 53 6.367 8.146 -0.674 1.00 0.83 H new ATOM 0 HG13 ILE A 53 6.222 9.873 -0.415 1.00 0.83 H new ATOM 0 HG21 ILE A 53 4.152 7.831 -2.806 1.00 0.84 H new ATOM 0 HG22 ILE A 53 5.106 8.292 -4.236 1.00 0.84 H new ATOM 0 HG23 ILE A 53 5.792 7.178 -3.029 1.00 0.84 H new ATOM 0 HD11 ILE A 53 4.438 8.657 0.771 1.00 1.30 H new ATOM 0 HD12 ILE A 53 3.745 9.692 -0.500 1.00 1.30 H new ATOM 0 HD13 ILE A 53 3.892 7.938 -0.763 1.00 1.30 H new ATOM 820 N GLY A 54 8.782 7.987 -2.034 1.00 0.77 N ATOM 821 CA GLY A 54 9.582 6.775 -2.084 1.00 0.61 C ATOM 822 C GLY A 54 8.760 5.566 -1.622 1.00 0.53 C ATOM 823 O GLY A 54 7.671 5.712 -1.066 1.00 0.57 O ATOM 0 H GLY A 54 8.820 8.471 -1.137 1.00 0.77 H new ATOM 0 HA2 GLY A 54 9.940 6.611 -3.100 1.00 0.61 H new ATOM 0 HA3 GLY A 54 10.462 6.887 -1.450 1.00 0.61 H new ATOM 827 N PRO A 55 9.263 4.344 -1.855 1.00 0.57 N ATOM 828 CA PRO A 55 8.599 3.131 -1.416 1.00 0.62 C ATOM 829 C PRO A 55 8.674 2.992 0.109 1.00 0.64 C ATOM 830 O PRO A 55 7.661 2.706 0.741 1.00 0.63 O ATOM 831 CB PRO A 55 9.296 1.989 -2.161 1.00 0.72 C ATOM 832 CG PRO A 55 10.690 2.539 -2.466 1.00 0.71 C ATOM 833 CD PRO A 55 10.467 4.045 -2.614 1.00 0.65 C ATOM 0 HA PRO A 55 7.533 3.131 -1.644 1.00 0.62 H new ATOM 0 HB2 PRO A 55 9.348 1.088 -1.550 1.00 0.72 H new ATOM 0 HB3 PRO A 55 8.763 1.725 -3.074 1.00 0.72 H new ATOM 0 HG2 PRO A 55 11.392 2.316 -1.662 1.00 0.71 H new ATOM 0 HG3 PRO A 55 11.100 2.104 -3.377 1.00 0.71 H new ATOM 0 HD2 PRO A 55 11.320 4.606 -2.231 1.00 0.65 H new ATOM 0 HD3 PRO A 55 10.348 4.321 -3.662 1.00 0.65 H new ATOM 841 N ARG A 56 9.860 3.211 0.699 1.00 0.70 N ATOM 842 CA ARG A 56 10.094 3.185 2.147 1.00 0.82 C ATOM 843 C ARG A 56 9.010 3.963 2.894 1.00 0.70 C ATOM 844 O ARG A 56 8.552 3.555 3.955 1.00 0.68 O ATOM 845 CB ARG A 56 11.464 3.800 2.480 1.00 1.11 C ATOM 846 CG ARG A 56 12.651 2.839 2.334 1.00 2.09 C ATOM 847 CD ARG A 56 12.959 2.453 0.883 1.00 3.49 C ATOM 848 NE ARG A 56 14.205 1.672 0.808 1.00 4.84 N ATOM 849 CZ ARG A 56 14.878 1.383 -0.318 1.00 6.55 C ATOM 850 NH1 ARG A 56 14.427 1.818 -1.499 1.00 7.37 N ATOM 851 NH2 ARG A 56 16.001 0.658 -0.257 1.00 7.86 N ATOM 0 H ARG A 56 10.704 3.416 0.165 1.00 0.70 H new ATOM 0 HA ARG A 56 10.069 2.143 2.464 1.00 0.82 H new ATOM 0 HB2 ARG A 56 11.628 4.660 1.831 1.00 1.11 H new ATOM 0 HB3 ARG A 56 11.440 4.173 3.504 1.00 1.11 H new ATOM 0 HG2 ARG A 56 13.536 3.300 2.773 1.00 2.09 H new ATOM 0 HG3 ARG A 56 12.446 1.934 2.905 1.00 2.09 H new ATOM 0 HD2 ARG A 56 12.134 1.871 0.473 1.00 3.49 H new ATOM 0 HD3 ARG A 56 13.050 3.352 0.273 1.00 3.49 H new ATOM 0 HE ARG A 56 14.590 1.321 1.685 1.00 4.84 H new ATOM 0 HH11 ARG A 56 13.571 2.370 -1.546 1.00 7.37 H new ATOM 0 HH12 ARG A 56 14.939 1.598 -2.353 1.00 7.37 H new ATOM 0 HH21 ARG A 56 16.345 0.325 0.644 1.00 7.86 H new ATOM 0 HH22 ARG A 56 16.513 0.438 -1.111 1.00 7.86 H new ATOM 865 N ASP A 57 8.627 5.100 2.333 1.00 0.66 N ATOM 866 CA ASP A 57 7.666 6.040 2.866 1.00 0.62 C ATOM 867 C ASP A 57 6.344 5.297 3.074 1.00 0.56 C ATOM 868 O ASP A 57 5.804 5.224 4.180 1.00 0.57 O ATOM 869 CB ASP A 57 7.480 7.225 1.888 1.00 0.67 C ATOM 870 CG ASP A 57 8.710 7.730 1.119 1.00 2.09 C ATOM 871 OD1 ASP A 57 9.703 6.977 0.990 1.00 3.39 O ATOM 872 OD2 ASP A 57 8.599 8.841 0.557 1.00 2.91 O ATOM 0 H ASP A 57 9.006 5.405 1.437 1.00 0.66 H new ATOM 0 HA ASP A 57 8.016 6.446 3.815 1.00 0.62 H new ATOM 0 HB2 ASP A 57 6.725 6.938 1.157 1.00 0.67 H new ATOM 0 HB3 ASP A 57 7.074 8.063 2.454 1.00 0.67 H new ATOM 877 N ILE A 58 5.831 4.716 1.985 1.00 0.52 N ATOM 878 CA ILE A 58 4.579 3.981 2.000 1.00 0.48 C ATOM 879 C ILE A 58 4.711 2.765 2.912 1.00 0.45 C ATOM 880 O ILE A 58 3.852 2.562 3.766 1.00 0.45 O ATOM 881 CB ILE A 58 4.142 3.591 0.579 1.00 0.48 C ATOM 882 CG1 ILE A 58 3.877 4.831 -0.281 1.00 0.59 C ATOM 883 CG2 ILE A 58 2.856 2.763 0.658 1.00 0.64 C ATOM 884 CD1 ILE A 58 4.225 4.555 -1.743 1.00 0.73 C ATOM 0 H ILE A 58 6.280 4.747 1.070 1.00 0.52 H new ATOM 0 HA ILE A 58 3.794 4.624 2.398 1.00 0.48 H new ATOM 0 HB ILE A 58 4.946 3.014 0.121 1.00 0.48 H new ATOM 0 HG12 ILE A 58 2.829 5.120 -0.199 1.00 0.59 H new ATOM 0 HG13 ILE A 58 4.469 5.669 0.087 1.00 0.59 H new ATOM 0 HG21 ILE A 58 2.541 2.483 -0.347 1.00 0.64 H new ATOM 0 HG22 ILE A 58 3.038 1.863 1.245 1.00 0.64 H new ATOM 0 HG23 ILE A 58 2.072 3.353 1.133 1.00 0.64 H new ATOM 0 HD11 ILE A 58 4.030 5.447 -2.338 1.00 0.73 H new ATOM 0 HD12 ILE A 58 5.279 4.289 -1.822 1.00 0.73 H new ATOM 0 HD13 ILE A 58 3.614 3.732 -2.113 1.00 0.73 H new ATOM 896 N ILE A 59 5.783 1.981 2.746 1.00 0.48 N ATOM 897 CA ILE A 59 6.093 0.829 3.596 1.00 0.55 C ATOM 898 C ILE A 59 5.892 1.219 5.063 1.00 0.52 C ATOM 899 O ILE A 59 5.038 0.662 5.751 1.00 0.48 O ATOM 900 CB ILE A 59 7.542 0.352 3.349 1.00 0.75 C ATOM 901 CG1 ILE A 59 7.771 -0.168 1.921 1.00 0.98 C ATOM 902 CG2 ILE A 59 8.020 -0.665 4.396 1.00 0.99 C ATOM 903 CD1 ILE A 59 7.469 -1.650 1.742 1.00 1.53 C ATOM 0 H ILE A 59 6.468 2.133 2.006 1.00 0.48 H new ATOM 0 HA ILE A 59 5.424 0.005 3.351 1.00 0.55 H new ATOM 0 HB ILE A 59 8.158 1.244 3.462 1.00 0.75 H new ATOM 0 HG12 ILE A 59 7.148 0.404 1.233 1.00 0.98 H new ATOM 0 HG13 ILE A 59 8.808 0.017 1.641 1.00 0.98 H new ATOM 0 HG21 ILE A 59 9.044 -0.964 4.172 1.00 0.99 H new ATOM 0 HG22 ILE A 59 7.983 -0.212 5.387 1.00 0.99 H new ATOM 0 HG23 ILE A 59 7.373 -1.542 4.374 1.00 0.99 H new ATOM 0 HD11 ILE A 59 7.656 -1.937 0.707 1.00 1.53 H new ATOM 0 HD12 ILE A 59 8.110 -2.234 2.402 1.00 1.53 H new ATOM 0 HD13 ILE A 59 6.425 -1.841 1.988 1.00 1.53 H new ATOM 915 N HIS A 60 6.651 2.221 5.507 1.00 0.59 N ATOM 916 CA HIS A 60 6.666 2.700 6.870 1.00 0.66 C ATOM 917 C HIS A 60 5.270 3.134 7.276 1.00 0.58 C ATOM 918 O HIS A 60 4.837 2.849 8.387 1.00 0.59 O ATOM 919 CB HIS A 60 7.659 3.859 6.988 1.00 0.83 C ATOM 920 CG HIS A 60 7.836 4.321 8.407 1.00 1.93 C ATOM 921 ND1 HIS A 60 7.046 5.226 9.079 1.00 3.66 N ATOM 922 CD2 HIS A 60 8.760 3.835 9.289 1.00 2.20 C ATOM 923 CE1 HIS A 60 7.502 5.293 10.342 1.00 4.87 C ATOM 924 NE2 HIS A 60 8.549 4.468 10.518 1.00 4.01 N ATOM 0 H HIS A 60 7.291 2.732 4.899 1.00 0.59 H new ATOM 0 HA HIS A 60 6.982 1.902 7.542 1.00 0.66 H new ATOM 0 HB2 HIS A 60 8.624 3.549 6.587 1.00 0.83 H new ATOM 0 HB3 HIS A 60 7.313 4.693 6.378 1.00 0.83 H new ATOM 0 HD2 HIS A 60 9.517 3.095 9.075 1.00 2.20 H new ATOM 0 HE1 HIS A 60 7.084 5.925 11.112 1.00 4.87 H new ATOM 0 HE2 HIS A 60 9.083 4.331 11.376 1.00 4.01 H new ATOM 932 N THR A 61 4.554 3.832 6.391 1.00 0.55 N ATOM 933 CA THR A 61 3.196 4.240 6.701 1.00 0.53 C ATOM 934 C THR A 61 2.304 3.011 6.939 1.00 0.42 C ATOM 935 O THR A 61 1.583 2.966 7.931 1.00 0.42 O ATOM 936 CB THR A 61 2.661 5.202 5.632 1.00 0.64 C ATOM 937 OG1 THR A 61 3.578 6.264 5.454 1.00 0.83 O ATOM 938 CG2 THR A 61 1.336 5.822 6.083 1.00 0.75 C ATOM 0 H THR A 61 4.891 4.119 5.472 1.00 0.55 H new ATOM 0 HA THR A 61 3.188 4.801 7.635 1.00 0.53 H new ATOM 0 HB THR A 61 2.521 4.638 4.710 1.00 0.64 H new ATOM 0 HG1 THR A 61 4.362 5.940 4.963 1.00 0.83 H new ATOM 0 HG21 THR A 61 0.971 6.501 5.313 1.00 0.75 H new ATOM 0 HG22 THR A 61 0.602 5.033 6.248 1.00 0.75 H new ATOM 0 HG23 THR A 61 1.490 6.374 7.010 1.00 0.75 H new ATOM 946 N ILE A 62 2.358 2.000 6.067 1.00 0.40 N ATOM 947 CA ILE A 62 1.550 0.787 6.188 1.00 0.39 C ATOM 948 C ILE A 62 1.903 0.014 7.467 1.00 0.38 C ATOM 949 O ILE A 62 1.000 -0.419 8.188 1.00 0.37 O ATOM 950 CB ILE A 62 1.661 -0.064 4.910 1.00 0.42 C ATOM 951 CG1 ILE A 62 1.051 0.698 3.720 1.00 0.50 C ATOM 952 CG2 ILE A 62 0.913 -1.392 5.078 1.00 0.55 C ATOM 953 CD1 ILE A 62 1.231 -0.052 2.398 1.00 0.69 C ATOM 0 H ILE A 62 2.970 2.002 5.251 1.00 0.40 H new ATOM 0 HA ILE A 62 0.501 1.065 6.286 1.00 0.39 H new ATOM 0 HB ILE A 62 2.716 -0.265 4.726 1.00 0.42 H new ATOM 0 HG12 ILE A 62 -0.011 0.861 3.901 1.00 0.50 H new ATOM 0 HG13 ILE A 62 1.516 1.681 3.644 1.00 0.50 H new ATOM 0 HG21 ILE A 62 1.004 -1.979 4.164 1.00 0.55 H new ATOM 0 HG22 ILE A 62 1.343 -1.949 5.911 1.00 0.55 H new ATOM 0 HG23 ILE A 62 -0.140 -1.194 5.279 1.00 0.55 H new ATOM 0 HD11 ILE A 62 0.784 0.525 1.588 1.00 0.69 H new ATOM 0 HD12 ILE A 62 2.294 -0.192 2.201 1.00 0.69 H new ATOM 0 HD13 ILE A 62 0.743 -1.025 2.462 1.00 0.69 H new ATOM 965 N GLU A 63 3.196 -0.148 7.758 1.00 0.49 N ATOM 966 CA GLU A 63 3.663 -0.747 9.002 1.00 0.63 C ATOM 967 C GLU A 63 3.112 0.038 10.191 1.00 0.58 C ATOM 968 O GLU A 63 2.480 -0.522 11.083 1.00 0.61 O ATOM 969 CB GLU A 63 5.196 -0.782 9.004 1.00 0.88 C ATOM 970 CG GLU A 63 5.732 -1.760 7.947 1.00 1.30 C ATOM 971 CD GLU A 63 7.251 -1.718 7.841 1.00 1.98 C ATOM 972 OE1 GLU A 63 7.805 -0.605 7.970 1.00 2.49 O ATOM 973 OE2 GLU A 63 7.830 -2.804 7.625 1.00 3.04 O ATOM 0 H GLU A 63 3.949 0.136 7.131 1.00 0.49 H new ATOM 0 HA GLU A 63 3.301 -1.772 9.086 1.00 0.63 H new ATOM 0 HB2 GLU A 63 5.585 0.217 8.809 1.00 0.88 H new ATOM 0 HB3 GLU A 63 5.554 -1.077 9.990 1.00 0.88 H new ATOM 0 HG2 GLU A 63 5.415 -2.772 8.197 1.00 1.30 H new ATOM 0 HG3 GLU A 63 5.295 -1.520 6.978 1.00 1.30 H new ATOM 980 N SER A 64 3.335 1.352 10.172 1.00 0.56 N ATOM 981 CA SER A 64 2.892 2.282 11.193 1.00 0.59 C ATOM 982 C SER A 64 1.378 2.175 11.420 1.00 0.51 C ATOM 983 O SER A 64 0.936 2.208 12.565 1.00 0.69 O ATOM 984 CB SER A 64 3.368 3.694 10.816 1.00 0.64 C ATOM 985 OG SER A 64 2.996 4.660 11.783 1.00 0.78 O ATOM 0 H SER A 64 3.847 1.807 9.416 1.00 0.56 H new ATOM 0 HA SER A 64 3.338 2.032 12.156 1.00 0.59 H new ATOM 0 HB2 SER A 64 4.452 3.692 10.705 1.00 0.64 H new ATOM 0 HB3 SER A 64 2.949 3.971 9.849 1.00 0.64 H new ATOM 0 HG SER A 64 3.319 5.542 11.505 1.00 0.78 H new ATOM 991 N LEU A 65 0.569 2.058 10.359 1.00 0.43 N ATOM 992 CA LEU A 65 -0.854 1.801 10.510 1.00 0.44 C ATOM 993 C LEU A 65 -1.102 0.430 11.138 1.00 0.56 C ATOM 994 O LEU A 65 -1.845 0.335 12.114 1.00 0.96 O ATOM 995 CB LEU A 65 -1.540 1.907 9.144 1.00 0.59 C ATOM 996 CG LEU A 65 -1.555 3.356 8.636 1.00 0.77 C ATOM 997 CD1 LEU A 65 -1.582 3.340 7.110 1.00 1.77 C ATOM 998 CD2 LEU A 65 -2.768 4.118 9.171 1.00 1.27 C ATOM 0 H LEU A 65 0.883 2.138 9.392 1.00 0.43 H new ATOM 0 HA LEU A 65 -1.277 2.549 11.181 1.00 0.44 H new ATOM 0 HB2 LEU A 65 -1.022 1.273 8.425 1.00 0.59 H new ATOM 0 HB3 LEU A 65 -2.562 1.535 9.218 1.00 0.59 H new ATOM 0 HG LEU A 65 -0.660 3.865 8.993 1.00 0.77 H new ATOM 0 HD11 LEU A 65 -1.593 4.364 6.736 1.00 1.77 H new ATOM 0 HD12 LEU A 65 -0.697 2.826 6.736 1.00 1.77 H new ATOM 0 HD13 LEU A 65 -2.476 2.819 6.767 1.00 1.77 H new ATOM 0 HD21 LEU A 65 -2.751 5.141 8.794 1.00 1.27 H new ATOM 0 HD22 LEU A 65 -3.682 3.625 8.841 1.00 1.27 H new ATOM 0 HD23 LEU A 65 -2.737 4.133 10.260 1.00 1.27 H new ATOM 1010 N GLY A 66 -0.564 -0.637 10.539 1.00 0.66 N ATOM 1011 CA GLY A 66 -0.791 -1.984 11.043 1.00 0.83 C ATOM 1012 C GLY A 66 0.231 -3.035 10.607 1.00 0.94 C ATOM 1013 O GLY A 66 0.541 -3.939 11.381 1.00 1.45 O ATOM 0 H GLY A 66 0.028 -0.589 9.710 1.00 0.66 H new ATOM 0 HA2 GLY A 66 -0.805 -1.947 12.132 1.00 0.83 H new ATOM 0 HA3 GLY A 66 -1.780 -2.310 10.722 1.00 0.83 H new ATOM 1017 N PHE A 67 0.626 -3.027 9.330 1.00 0.88 N ATOM 1018 CA PHE A 67 0.779 -4.275 8.584 1.00 0.76 C ATOM 1019 C PHE A 67 2.191 -4.443 8.023 1.00 1.07 C ATOM 1020 O PHE A 67 2.766 -3.485 7.510 1.00 1.80 O ATOM 1021 CB PHE A 67 -0.243 -4.291 7.443 1.00 0.66 C ATOM 1022 CG PHE A 67 -1.617 -3.745 7.801 1.00 0.53 C ATOM 1023 CD1 PHE A 67 -2.558 -4.578 8.428 1.00 1.96 C ATOM 1024 CD2 PHE A 67 -1.922 -2.384 7.597 1.00 1.68 C ATOM 1025 CE1 PHE A 67 -3.819 -4.076 8.793 1.00 2.00 C ATOM 1026 CE2 PHE A 67 -3.176 -1.877 7.974 1.00 1.65 C ATOM 1027 CZ PHE A 67 -4.135 -2.728 8.545 1.00 0.54 C ATOM 0 H PHE A 67 0.842 -2.183 8.800 1.00 0.88 H new ATOM 0 HA PHE A 67 0.607 -5.107 9.267 1.00 0.76 H new ATOM 0 HB2 PHE A 67 0.156 -3.711 6.610 1.00 0.66 H new ATOM 0 HB3 PHE A 67 -0.357 -5.317 7.092 1.00 0.66 H new ATOM 0 HD1 PHE A 67 -2.311 -5.610 8.631 1.00 1.96 H new ATOM 0 HD2 PHE A 67 -1.189 -1.729 7.149 1.00 1.68 H new ATOM 0 HE1 PHE A 67 -4.544 -4.724 9.263 1.00 2.00 H new ATOM 0 HE2 PHE A 67 -3.403 -0.832 7.825 1.00 1.65 H new ATOM 0 HZ PHE A 67 -5.115 -2.348 8.794 1.00 0.54 H new ATOM 1037 N GLU A 68 2.736 -5.664 8.048 1.00 0.73 N ATOM 1038 CA GLU A 68 4.147 -5.883 7.752 1.00 0.68 C ATOM 1039 C GLU A 68 4.388 -5.832 6.236 1.00 1.01 C ATOM 1040 O GLU A 68 4.509 -6.865 5.572 1.00 2.07 O ATOM 1041 CB GLU A 68 4.593 -7.232 8.325 1.00 0.77 C ATOM 1042 CG GLU A 68 4.302 -7.464 9.809 1.00 1.72 C ATOM 1043 CD GLU A 68 4.860 -8.819 10.235 1.00 2.24 C ATOM 1044 OE1 GLU A 68 4.600 -9.797 9.494 1.00 2.68 O ATOM 1045 OE2 GLU A 68 5.593 -8.856 11.242 1.00 3.34 O ATOM 0 H GLU A 68 2.217 -6.513 8.271 1.00 0.73 H new ATOM 0 HA GLU A 68 4.736 -5.093 8.217 1.00 0.68 H new ATOM 0 HB2 GLU A 68 4.110 -8.024 7.753 1.00 0.77 H new ATOM 0 HB3 GLU A 68 5.667 -7.334 8.166 1.00 0.77 H new ATOM 0 HG2 GLU A 68 4.751 -6.671 10.406 1.00 1.72 H new ATOM 0 HG3 GLU A 68 3.228 -7.429 9.989 1.00 1.72 H new ATOM 1052 N ALA A 69 4.471 -4.629 5.674 1.00 1.04 N ATOM 1053 CA ALA A 69 4.383 -4.451 4.234 1.00 1.14 C ATOM 1054 C ALA A 69 5.684 -4.897 3.564 1.00 1.25 C ATOM 1055 O ALA A 69 6.769 -4.750 4.123 1.00 1.55 O ATOM 1056 CB ALA A 69 4.115 -2.974 3.946 1.00 1.26 C ATOM 0 H ALA A 69 4.599 -3.763 6.198 1.00 1.04 H new ATOM 0 HA ALA A 69 3.573 -5.059 3.833 1.00 1.14 H new ATOM 0 HB1 ALA A 69 4.046 -2.820 2.869 1.00 1.26 H new ATOM 0 HB2 ALA A 69 3.178 -2.676 4.416 1.00 1.26 H new ATOM 0 HB3 ALA A 69 4.930 -2.371 4.347 1.00 1.26 H new ATOM 1062 N SER A 70 5.588 -5.546 2.399 1.00 1.05 N ATOM 1063 CA SER A 70 6.724 -6.245 1.806 1.00 0.97 C ATOM 1064 C SER A 70 6.555 -6.391 0.288 1.00 0.71 C ATOM 1065 O SER A 70 5.520 -6.873 -0.152 1.00 0.69 O ATOM 1066 CB SER A 70 6.830 -7.611 2.498 1.00 1.25 C ATOM 1067 OG SER A 70 7.373 -7.465 3.802 1.00 2.15 O ATOM 0 H SER A 70 4.730 -5.600 1.849 1.00 1.05 H new ATOM 0 HA SER A 70 7.643 -5.677 1.954 1.00 0.97 H new ATOM 0 HB2 SER A 70 5.845 -8.073 2.557 1.00 1.25 H new ATOM 0 HB3 SER A 70 7.459 -8.277 1.908 1.00 1.25 H new ATOM 0 HG SER A 70 7.386 -6.516 4.046 1.00 2.15 H new ATOM 1073 N LEU A 71 7.556 -5.994 -0.505 1.00 0.78 N ATOM 1074 CA LEU A 71 7.574 -6.113 -1.966 1.00 0.93 C ATOM 1075 C LEU A 71 7.254 -7.545 -2.402 1.00 0.93 C ATOM 1076 O LEU A 71 8.034 -8.456 -2.129 1.00 1.53 O ATOM 1077 CB LEU A 71 8.984 -5.769 -2.490 1.00 1.66 C ATOM 1078 CG LEU A 71 9.391 -4.286 -2.536 1.00 1.29 C ATOM 1079 CD1 LEU A 71 8.573 -3.524 -3.580 1.00 2.22 C ATOM 1080 CD2 LEU A 71 9.312 -3.584 -1.177 1.00 2.01 C ATOM 0 H LEU A 71 8.405 -5.566 -0.134 1.00 0.78 H new ATOM 0 HA LEU A 71 6.825 -5.430 -2.368 1.00 0.93 H new ATOM 0 HB2 LEU A 71 9.709 -6.296 -1.870 1.00 1.66 H new ATOM 0 HB3 LEU A 71 9.074 -6.172 -3.499 1.00 1.66 H new ATOM 0 HG LEU A 71 10.442 -4.277 -2.826 1.00 1.29 H new ATOM 0 HD11 LEU A 71 8.881 -2.479 -3.591 1.00 2.22 H new ATOM 0 HD12 LEU A 71 8.740 -3.962 -4.564 1.00 2.22 H new ATOM 0 HD13 LEU A 71 7.514 -3.587 -3.330 1.00 2.22 H new ATOM 0 HD21 LEU A 71 9.613 -2.542 -1.288 1.00 2.01 H new ATOM 0 HD22 LEU A 71 8.289 -3.628 -0.804 1.00 2.01 H new ATOM 0 HD23 LEU A 71 9.978 -4.081 -0.471 1.00 2.01 H new ATOM 1092 N VAL A 72 6.147 -7.734 -3.124 1.00 0.76 N ATOM 1093 CA VAL A 72 5.815 -8.968 -3.817 1.00 0.99 C ATOM 1094 C VAL A 72 5.628 -8.670 -5.305 1.00 1.35 C ATOM 1095 O VAL A 72 4.571 -8.218 -5.720 1.00 2.71 O ATOM 1096 CB VAL A 72 4.591 -9.628 -3.151 1.00 1.22 C ATOM 1097 CG1 VAL A 72 5.027 -10.082 -1.759 1.00 1.23 C ATOM 1098 CG2 VAL A 72 3.350 -8.728 -3.013 1.00 1.67 C ATOM 0 H VAL A 72 5.440 -7.008 -3.242 1.00 0.76 H new ATOM 0 HA VAL A 72 6.625 -9.693 -3.741 1.00 0.99 H new ATOM 0 HB VAL A 72 4.279 -10.446 -3.801 1.00 1.22 H new ATOM 0 HG11 VAL A 72 4.187 -10.556 -1.251 1.00 1.23 H new ATOM 0 HG12 VAL A 72 5.846 -10.795 -1.849 1.00 1.23 H new ATOM 0 HG13 VAL A 72 5.359 -9.219 -1.182 1.00 1.23 H new ATOM 0 HG21 VAL A 72 2.547 -9.287 -2.533 1.00 1.67 H new ATOM 0 HG22 VAL A 72 3.598 -7.857 -2.407 1.00 1.67 H new ATOM 0 HG23 VAL A 72 3.025 -8.402 -4.001 1.00 1.67 H new