USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 761 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 39 HIS : no HD1:sc= 0.546 K(o=1.2,f=0.32) USER MOD Set 1.2: A 44 SER OG : rot -156:sc= 0.622 USER MOD Single : A 1 GLY N :NH3+ -143:sc= 0.00614 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -27:sc= 0.606 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 17 SER OG : rot -150:sc= -0.87 USER MOD Single : A 19 GLN : amide:sc= -0.059 K(o=-0.059,f=-1.4!) USER MOD Single : A 20 GLN : amide:sc= -0.947 K(o=-0.95,f=-0.11) USER MOD Single : A 21 GLN : amide:sc= -0.581 K(o=-0.58,f=1.2) USER MOD Single : A 22 GLN : amide:sc= -1.58! K(o=-1.6!,f=-0.4) USER MOD Single : A 23 GLN : amide:sc= -0.788 K(o=-0.79,f=-0.0052) USER MOD Single : A 24 THR OG1 : rot 170:sc= 0 USER MOD Single : A 27 THR OG1 : rot 84:sc= 0.38 USER MOD Single : A 33 THR OG1 : rot 71:sc= -0.526 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.139 X(o=-0.14,f=0.0078) USER MOD Single : A 41 THR OG1 : rot -174:sc= 0.56 USER MOD Single : A 46 SER OG : rot 180:sc= -0.894 USER MOD Single : A 49 THR OG1 : rot 19:sc= -2.07! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -82:sc= 0.611 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.257 USER MOD Single : A 66 ASN : amide:sc= -1.28! X(o=-1.3!,f=-0.85) USER MOD Single : A 67 THR OG1 : rot 75:sc= 0.151 USER MOD Single : A 69 THR OG1 : rot -94:sc= 1.2 USER MOD Single : A 70 HIS : no HD1:sc= -0.0687 X(o=-0.069,f=0) USER MOD Single : A 71 ASN : amide:sc= -2.21! C(o=-2.2!,f=-3.6!) USER MOD Single : A 72 THR OG1 : rot -69:sc= -0.0734 USER MOD Single : A 79 THR OG1 : rot 13:sc= 1.03 USER MOD Single : A 84 HIS : no HD1:sc= -0.625 K(o=-0.63,f=-1.4) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.906 USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot 89:sc= 1.13 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 93 HIS : no HE2:sc= -2.13 K(o=-2.1,f=-3.1!) USER MOD Single : A 95 HIS : no HE2:sc= -0.405 K(o=-0.41,f=-3.6!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot -27:sc= 0.359 USER MOD Single : A 100 GLN : amide:sc= -1.77! K(o=-1.8!,f=-0.28) USER MOD Single : A 101 SER OG : rot 180:sc= 0.263 USER MOD Single : A 102 HIS : no HD1:sc= -0.0203 X(o=-0.02,f=-0.0016) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.371 -5.589 -17.481 1.00 4.47 N ATOM 2 CA GLY A 1 9.167 -5.168 -16.728 1.00 3.97 C ATOM 3 C GLY A 1 9.483 -4.862 -15.283 1.00 3.37 C ATOM 4 O GLY A 1 10.521 -4.272 -14.977 1.00 3.50 O ATOM 0 H1 GLY A 1 10.328 -5.207 -18.447 1.00 4.47 H new ATOM 0 H2 GLY A 1 11.222 -5.229 -17.004 1.00 4.47 H new ATOM 0 H3 GLY A 1 10.410 -6.627 -17.521 1.00 4.47 H new ATOM 0 HA2 GLY A 1 8.734 -4.286 -17.199 1.00 3.97 H new ATOM 0 HA3 GLY A 1 8.415 -5.956 -16.776 1.00 3.97 H new ATOM 10 N ALA A 2 8.602 -5.283 -14.386 1.00 3.02 N ATOM 11 CA ALA A 2 8.773 -5.025 -12.965 1.00 2.58 C ATOM 12 C ALA A 2 9.584 -6.136 -12.303 1.00 2.13 C ATOM 13 O ALA A 2 9.063 -6.906 -11.489 1.00 2.41 O ATOM 14 CB ALA A 2 7.418 -4.873 -12.289 1.00 2.87 C ATOM 0 H ALA A 2 7.759 -5.807 -14.620 1.00 3.02 H new ATOM 0 HA ALA A 2 9.325 -4.092 -12.850 1.00 2.58 H new ATOM 0 HB1 ALA A 2 7.561 -4.680 -11.226 1.00 2.87 H new ATOM 0 HB2 ALA A 2 6.878 -4.040 -12.739 1.00 2.87 H new ATOM 0 HB3 ALA A 2 6.843 -5.790 -12.417 1.00 2.87 H new ATOM 20 N ALA A 3 10.857 -6.221 -12.669 1.00 1.91 N ATOM 21 CA ALA A 3 11.765 -7.198 -12.082 1.00 1.62 C ATOM 22 C ALA A 3 12.113 -6.800 -10.653 1.00 1.42 C ATOM 23 O ALA A 3 13.041 -6.023 -10.424 1.00 1.97 O ATOM 24 CB ALA A 3 13.027 -7.322 -12.925 1.00 1.64 C ATOM 0 H ALA A 3 11.286 -5.621 -13.374 1.00 1.91 H new ATOM 0 HA ALA A 3 11.269 -8.169 -12.061 1.00 1.62 H new ATOM 0 HB1 ALA A 3 13.695 -8.055 -12.474 1.00 1.64 H new ATOM 0 HB2 ALA A 3 12.762 -7.644 -13.932 1.00 1.64 H new ATOM 0 HB3 ALA A 3 13.529 -6.355 -12.974 1.00 1.64 H new ATOM 30 N SER A 4 11.334 -7.315 -9.706 1.00 0.96 N ATOM 31 CA SER A 4 11.480 -6.979 -8.293 1.00 0.76 C ATOM 32 C SER A 4 11.232 -5.493 -8.084 1.00 0.67 C ATOM 33 O SER A 4 12.154 -4.682 -8.071 1.00 0.72 O ATOM 34 CB SER A 4 12.857 -7.372 -7.747 1.00 0.82 C ATOM 35 OG SER A 4 12.885 -7.284 -6.331 1.00 1.73 O ATOM 0 H SER A 4 10.583 -7.978 -9.897 1.00 0.96 H new ATOM 0 HA SER A 4 10.737 -7.552 -7.738 1.00 0.76 H new ATOM 0 HB2 SER A 4 13.099 -8.389 -8.057 1.00 0.82 H new ATOM 0 HB3 SER A 4 13.620 -6.720 -8.171 1.00 0.82 H new ATOM 0 HG SER A 4 13.773 -7.541 -6.005 1.00 1.73 H new ATOM 41 N ALA A 5 9.975 -5.136 -7.921 1.00 0.62 N ATOM 42 CA ALA A 5 9.614 -3.753 -7.675 1.00 0.56 C ATOM 43 C ALA A 5 9.914 -3.382 -6.231 1.00 0.49 C ATOM 44 O ALA A 5 9.664 -2.265 -5.804 1.00 0.45 O ATOM 45 CB ALA A 5 8.153 -3.514 -8.005 1.00 0.59 C ATOM 0 H ALA A 5 9.186 -5.782 -7.954 1.00 0.62 H new ATOM 0 HA ALA A 5 10.212 -3.115 -8.325 1.00 0.56 H new ATOM 0 HB1 ALA A 5 7.903 -2.471 -7.813 1.00 0.59 H new ATOM 0 HB2 ALA A 5 7.975 -3.743 -9.056 1.00 0.59 H new ATOM 0 HB3 ALA A 5 7.530 -4.157 -7.383 1.00 0.59 H new ATOM 51 N ALA A 6 10.487 -4.323 -5.496 1.00 0.50 N ATOM 52 CA ALA A 6 10.888 -4.090 -4.118 1.00 0.46 C ATOM 53 C ALA A 6 12.232 -3.398 -4.084 1.00 0.48 C ATOM 54 O ALA A 6 12.567 -2.694 -3.137 1.00 0.56 O ATOM 55 CB ALA A 6 10.948 -5.412 -3.378 1.00 0.51 C ATOM 0 H ALA A 6 10.686 -5.264 -5.836 1.00 0.50 H new ATOM 0 HA ALA A 6 10.157 -3.447 -3.628 1.00 0.46 H new ATOM 0 HB1 ALA A 6 11.249 -5.237 -2.345 1.00 0.51 H new ATOM 0 HB2 ALA A 6 9.965 -5.884 -3.395 1.00 0.51 H new ATOM 0 HB3 ALA A 6 11.673 -6.067 -3.861 1.00 0.51 H new ATOM 61 N THR A 7 12.976 -3.568 -5.159 1.00 0.52 N ATOM 62 CA THR A 7 14.257 -2.918 -5.294 1.00 0.52 C ATOM 63 C THR A 7 14.092 -1.719 -6.214 1.00 0.50 C ATOM 64 O THR A 7 15.057 -1.059 -6.602 1.00 0.51 O ATOM 65 CB THR A 7 15.349 -3.882 -5.802 1.00 0.61 C ATOM 66 OG1 THR A 7 16.621 -3.222 -5.853 1.00 0.64 O ATOM 67 CG2 THR A 7 15.008 -4.442 -7.174 1.00 0.69 C ATOM 0 H THR A 7 12.711 -4.153 -5.952 1.00 0.52 H new ATOM 0 HA THR A 7 14.594 -2.583 -4.313 1.00 0.52 H new ATOM 0 HB THR A 7 15.401 -4.712 -5.097 1.00 0.61 H new ATOM 0 HG1 THR A 7 16.485 -2.260 -5.980 1.00 0.64 H new ATOM 0 HG21 THR A 7 15.800 -5.117 -7.499 1.00 0.69 H new ATOM 0 HG22 THR A 7 14.066 -4.988 -7.120 1.00 0.69 H new ATOM 0 HG23 THR A 7 14.913 -3.624 -7.888 1.00 0.69 H new ATOM 75 N ASP A 8 12.835 -1.444 -6.555 1.00 0.49 N ATOM 76 CA ASP A 8 12.463 -0.241 -7.276 1.00 0.48 C ATOM 77 C ASP A 8 11.696 0.666 -6.355 1.00 0.40 C ATOM 78 O ASP A 8 11.745 1.887 -6.456 1.00 0.40 O ATOM 79 CB ASP A 8 11.561 -0.559 -8.446 1.00 0.54 C ATOM 80 CG ASP A 8 12.285 -0.522 -9.773 1.00 0.64 C ATOM 81 OD1 ASP A 8 12.889 -1.547 -10.151 1.00 0.75 O ATOM 82 OD2 ASP A 8 12.254 0.530 -10.446 1.00 0.73 O ATOM 0 H ASP A 8 12.048 -2.054 -6.336 1.00 0.49 H new ATOM 0 HA ASP A 8 13.378 0.228 -7.637 1.00 0.48 H new ATOM 0 HB2 ASP A 8 11.124 -1.547 -8.303 1.00 0.54 H new ATOM 0 HB3 ASP A 8 10.737 0.154 -8.467 1.00 0.54 H new ATOM 87 N LEU A 9 10.944 0.049 -5.474 1.00 0.36 N ATOM 88 CA LEU A 9 10.193 0.784 -4.495 1.00 0.30 C ATOM 89 C LEU A 9 11.145 1.435 -3.533 1.00 0.28 C ATOM 90 O LEU A 9 11.141 2.649 -3.341 1.00 0.26 O ATOM 91 CB LEU A 9 9.286 -0.120 -3.694 1.00 0.29 C ATOM 92 CG LEU A 9 8.696 0.570 -2.478 1.00 0.25 C ATOM 93 CD1 LEU A 9 7.659 1.597 -2.906 1.00 0.24 C ATOM 94 CD2 LEU A 9 8.144 -0.453 -1.507 1.00 0.26 C ATOM 0 H LEU A 9 10.839 -0.964 -5.419 1.00 0.36 H new ATOM 0 HA LEU A 9 9.589 1.519 -5.026 1.00 0.30 H new ATOM 0 HB2 LEU A 9 8.477 -0.475 -4.333 1.00 0.29 H new ATOM 0 HB3 LEU A 9 9.847 -0.998 -3.372 1.00 0.29 H new ATOM 0 HG LEU A 9 9.481 1.113 -1.951 1.00 0.25 H new ATOM 0 HD11 LEU A 9 7.244 2.084 -2.024 1.00 0.24 H new ATOM 0 HD12 LEU A 9 8.129 2.344 -3.546 1.00 0.24 H new ATOM 0 HD13 LEU A 9 6.860 1.100 -3.456 1.00 0.24 H new ATOM 0 HD21 LEU A 9 7.724 0.058 -0.640 1.00 0.26 H new ATOM 0 HD22 LEU A 9 7.364 -1.036 -1.997 1.00 0.26 H new ATOM 0 HD23 LEU A 9 8.945 -1.117 -1.184 1.00 0.26 H new ATOM 106 N ALA A 10 11.965 0.587 -2.935 1.00 0.31 N ATOM 107 CA ALA A 10 13.026 1.032 -2.044 1.00 0.32 C ATOM 108 C ALA A 10 14.047 1.885 -2.797 1.00 0.35 C ATOM 109 O ALA A 10 15.050 2.305 -2.237 1.00 0.39 O ATOM 110 CB ALA A 10 13.688 -0.167 -1.383 1.00 0.42 C ATOM 0 H ALA A 10 11.915 -0.425 -3.052 1.00 0.31 H new ATOM 0 HA ALA A 10 12.591 1.656 -1.264 1.00 0.32 H new ATOM 0 HB1 ALA A 10 14.481 0.176 -0.718 1.00 0.42 H new ATOM 0 HB2 ALA A 10 12.946 -0.721 -0.808 1.00 0.42 H new ATOM 0 HB3 ALA A 10 14.112 -0.816 -2.149 1.00 0.42 H new ATOM 116 N ALA A 11 13.774 2.136 -4.073 1.00 0.36 N ATOM 117 CA ALA A 11 14.548 3.069 -4.860 1.00 0.41 C ATOM 118 C ALA A 11 13.961 4.467 -4.742 1.00 0.39 C ATOM 119 O ALA A 11 14.702 5.447 -4.702 1.00 0.44 O ATOM 120 CB ALA A 11 14.587 2.630 -6.301 1.00 0.51 C ATOM 0 H ALA A 11 13.009 1.695 -4.584 1.00 0.36 H new ATOM 0 HA ALA A 11 15.569 3.089 -4.479 1.00 0.41 H new ATOM 0 HB1 ALA A 11 15.173 3.342 -6.882 1.00 0.51 H new ATOM 0 HB2 ALA A 11 15.044 1.643 -6.368 1.00 0.51 H new ATOM 0 HB3 ALA A 11 13.572 2.588 -6.696 1.00 0.51 H new ATOM 126 N ARG A 12 12.627 4.573 -4.688 1.00 0.36 N ATOM 127 CA ARG A 12 11.975 5.843 -4.391 1.00 0.41 C ATOM 128 C ARG A 12 12.298 6.264 -2.974 1.00 0.34 C ATOM 129 O ARG A 12 12.390 7.444 -2.655 1.00 0.38 O ATOM 130 CB ARG A 12 10.461 5.695 -4.490 1.00 0.54 C ATOM 131 CG ARG A 12 9.885 5.785 -5.875 1.00 0.68 C ATOM 132 CD ARG A 12 10.042 4.485 -6.617 1.00 0.64 C ATOM 133 NE ARG A 12 9.091 4.388 -7.722 1.00 1.29 N ATOM 134 CZ ARG A 12 8.761 3.254 -8.330 1.00 1.49 C ATOM 135 NH1 ARG A 12 9.373 2.126 -8.009 1.00 1.30 N ATOM 136 NH2 ARG A 12 7.837 3.254 -9.281 1.00 2.35 N ATOM 0 H ARG A 12 11.986 3.796 -4.846 1.00 0.36 H new ATOM 0 HA ARG A 12 12.332 6.583 -5.107 1.00 0.41 H new ATOM 0 HB2 ARG A 12 10.180 4.733 -4.062 1.00 0.54 H new ATOM 0 HB3 ARG A 12 9.998 6.466 -3.874 1.00 0.54 H new ATOM 0 HG2 ARG A 12 8.829 6.047 -5.816 1.00 0.68 H new ATOM 0 HG3 ARG A 12 10.381 6.583 -6.427 1.00 0.68 H new ATOM 0 HD2 ARG A 12 11.059 4.403 -7.001 1.00 0.64 H new ATOM 0 HD3 ARG A 12 9.892 3.651 -5.931 1.00 0.64 H new ATOM 0 HE ARG A 12 8.651 5.248 -8.048 1.00 1.29 H new ATOM 0 HH11 ARG A 12 10.100 2.126 -7.293 1.00 1.30 H new ATOM 0 HH12 ARG A 12 9.118 1.256 -8.477 1.00 1.30 H new ATOM 0 HH21 ARG A 12 7.379 4.126 -9.547 1.00 2.35 H new ATOM 0 HH22 ARG A 12 7.585 2.382 -9.747 1.00 2.35 H new ATOM 150 N LEU A 13 12.435 5.261 -2.132 1.00 0.29 N ATOM 151 CA LEU A 13 12.640 5.458 -0.709 1.00 0.28 C ATOM 152 C LEU A 13 14.101 5.760 -0.455 1.00 0.31 C ATOM 153 O LEU A 13 14.460 6.529 0.434 1.00 0.33 O ATOM 154 CB LEU A 13 12.201 4.201 0.044 1.00 0.27 C ATOM 155 CG LEU A 13 10.683 4.010 0.243 1.00 0.27 C ATOM 156 CD1 LEU A 13 9.899 4.353 -1.002 1.00 0.74 C ATOM 157 CD2 LEU A 13 10.388 2.585 0.664 1.00 0.70 C ATOM 0 H LEU A 13 12.407 4.281 -2.415 1.00 0.29 H new ATOM 0 HA LEU A 13 12.044 6.299 -0.354 1.00 0.28 H new ATOM 0 HB2 LEU A 13 12.587 3.332 -0.489 1.00 0.27 H new ATOM 0 HB3 LEU A 13 12.675 4.209 1.026 1.00 0.27 H new ATOM 0 HG LEU A 13 10.368 4.697 1.029 1.00 0.27 H new ATOM 0 HD11 LEU A 13 8.836 4.204 -0.815 1.00 0.74 H new ATOM 0 HD12 LEU A 13 10.078 5.395 -1.269 1.00 0.74 H new ATOM 0 HD13 LEU A 13 10.217 3.709 -1.821 1.00 0.74 H new ATOM 0 HD21 LEU A 13 9.314 2.461 0.802 1.00 0.70 H new ATOM 0 HD22 LEU A 13 10.736 1.898 -0.107 1.00 0.70 H new ATOM 0 HD23 LEU A 13 10.901 2.369 1.601 1.00 0.70 H new ATOM 169 N ASN A 14 14.929 5.122 -1.250 1.00 0.35 N ATOM 170 CA ASN A 14 16.365 5.356 -1.274 1.00 0.41 C ATOM 171 C ASN A 14 16.690 6.830 -1.451 1.00 0.43 C ATOM 172 O ASN A 14 16.299 7.450 -2.440 1.00 0.84 O ATOM 173 CB ASN A 14 16.946 4.565 -2.433 1.00 0.52 C ATOM 174 CG ASN A 14 18.148 3.733 -2.061 1.00 0.81 C ATOM 175 OD1 ASN A 14 19.002 4.151 -1.282 1.00 1.39 O ATOM 176 ND2 ASN A 14 18.189 2.525 -2.595 1.00 0.65 N ATOM 0 H ASN A 14 14.623 4.410 -1.914 1.00 0.35 H new ATOM 0 HA ASN A 14 16.795 5.039 -0.324 1.00 0.41 H new ATOM 0 HB2 ASN A 14 16.174 3.910 -2.837 1.00 0.52 H new ATOM 0 HB3 ASN A 14 17.226 5.256 -3.228 1.00 0.52 H new ATOM 0 HD21 ASN A 14 18.955 1.892 -2.365 1.00 0.65 H new ATOM 0 HD22 ASN A 14 17.455 2.226 -3.237 1.00 0.65 H new ATOM 183 N GLY A 15 17.415 7.378 -0.497 1.00 0.48 N ATOM 184 CA GLY A 15 17.775 8.780 -0.545 1.00 0.49 C ATOM 185 C GLY A 15 16.846 9.631 0.286 1.00 0.46 C ATOM 186 O GLY A 15 17.112 10.807 0.526 1.00 0.56 O ATOM 0 H GLY A 15 17.765 6.876 0.319 1.00 0.48 H new ATOM 0 HA2 GLY A 15 18.797 8.904 -0.188 1.00 0.49 H new ATOM 0 HA3 GLY A 15 17.755 9.124 -1.579 1.00 0.49 H new ATOM 190 N LEU A 16 15.758 9.031 0.728 1.00 0.38 N ATOM 191 CA LEU A 16 14.742 9.746 1.474 1.00 0.35 C ATOM 192 C LEU A 16 14.806 9.414 2.954 1.00 0.35 C ATOM 193 O LEU A 16 15.468 8.462 3.365 1.00 0.37 O ATOM 194 CB LEU A 16 13.350 9.411 0.927 1.00 0.32 C ATOM 195 CG LEU A 16 12.896 10.245 -0.268 1.00 0.35 C ATOM 196 CD1 LEU A 16 12.962 11.707 0.095 1.00 0.94 C ATOM 197 CD2 LEU A 16 13.745 9.961 -1.499 1.00 0.82 C ATOM 0 H LEU A 16 15.555 8.042 0.582 1.00 0.38 H new ATOM 0 HA LEU A 16 14.931 10.813 1.356 1.00 0.35 H new ATOM 0 HB2 LEU A 16 13.334 8.359 0.641 1.00 0.32 H new ATOM 0 HB3 LEU A 16 12.624 9.534 1.730 1.00 0.32 H new ATOM 0 HG LEU A 16 11.869 9.975 -0.514 1.00 0.35 H new ATOM 0 HD11 LEU A 16 12.639 12.308 -0.755 1.00 0.94 H new ATOM 0 HD12 LEU A 16 12.309 11.901 0.946 1.00 0.94 H new ATOM 0 HD13 LEU A 16 13.987 11.971 0.357 1.00 0.94 H new ATOM 0 HD21 LEU A 16 13.395 10.571 -2.331 1.00 0.82 H new ATOM 0 HD22 LEU A 16 14.787 10.201 -1.286 1.00 0.82 H new ATOM 0 HD23 LEU A 16 13.662 8.907 -1.763 1.00 0.82 H new ATOM 209 N SER A 17 14.137 10.235 3.745 1.00 0.35 N ATOM 210 CA SER A 17 13.982 9.991 5.164 1.00 0.37 C ATOM 211 C SER A 17 12.877 8.975 5.389 1.00 0.33 C ATOM 212 O SER A 17 12.015 8.814 4.528 1.00 0.31 O ATOM 213 CB SER A 17 13.640 11.303 5.868 1.00 0.39 C ATOM 214 OG SER A 17 12.392 11.804 5.427 1.00 1.08 O ATOM 0 H SER A 17 13.686 11.090 3.419 1.00 0.35 H new ATOM 0 HA SER A 17 14.913 9.597 5.572 1.00 0.37 H new ATOM 0 HB2 SER A 17 13.612 11.145 6.946 1.00 0.39 H new ATOM 0 HB3 SER A 17 14.421 12.039 5.674 1.00 0.39 H new ATOM 0 HG SER A 17 12.395 12.782 5.482 1.00 1.08 H new ATOM 220 N PRO A 18 12.883 8.272 6.524 1.00 0.36 N ATOM 221 CA PRO A 18 11.890 7.234 6.821 1.00 0.35 C ATOM 222 C PRO A 18 10.455 7.695 6.544 1.00 0.31 C ATOM 223 O PRO A 18 9.675 6.975 5.909 1.00 0.29 O ATOM 224 CB PRO A 18 12.116 6.969 8.307 1.00 0.39 C ATOM 225 CG PRO A 18 13.565 7.252 8.499 1.00 0.42 C ATOM 226 CD PRO A 18 13.864 8.423 7.614 1.00 0.45 C ATOM 0 HA PRO A 18 12.008 6.349 6.195 1.00 0.35 H new ATOM 0 HB2 PRO A 18 11.496 7.616 8.928 1.00 0.39 H new ATOM 0 HB3 PRO A 18 11.870 5.941 8.572 1.00 0.39 H new ATOM 0 HG2 PRO A 18 13.785 7.481 9.542 1.00 0.42 H new ATOM 0 HG3 PRO A 18 14.173 6.389 8.227 1.00 0.42 H new ATOM 0 HD2 PRO A 18 13.740 9.369 8.141 1.00 0.45 H new ATOM 0 HD3 PRO A 18 14.888 8.397 7.242 1.00 0.45 H new ATOM 234 N GLN A 19 10.133 8.911 6.977 1.00 0.32 N ATOM 235 CA GLN A 19 8.804 9.485 6.769 1.00 0.32 C ATOM 236 C GLN A 19 8.546 9.770 5.287 1.00 0.29 C ATOM 237 O GLN A 19 7.432 9.582 4.800 1.00 0.28 O ATOM 238 CB GLN A 19 8.644 10.768 7.570 1.00 0.36 C ATOM 239 CG GLN A 19 7.230 11.306 7.530 1.00 0.71 C ATOM 240 CD GLN A 19 7.146 12.758 7.952 1.00 1.28 C ATOM 241 OE1 GLN A 19 8.087 13.529 7.763 1.00 2.00 O ATOM 242 NE2 GLN A 19 6.018 13.142 8.525 1.00 2.04 N ATOM 0 H GLN A 19 10.778 9.522 7.477 1.00 0.32 H new ATOM 0 HA GLN A 19 8.074 8.752 7.113 1.00 0.32 H new ATOM 0 HB2 GLN A 19 8.930 10.583 8.606 1.00 0.36 H new ATOM 0 HB3 GLN A 19 9.327 11.523 7.181 1.00 0.36 H new ATOM 0 HG2 GLN A 19 6.834 11.202 6.520 1.00 0.71 H new ATOM 0 HG3 GLN A 19 6.598 10.705 8.183 1.00 0.71 H new ATOM 0 HE21 GLN A 19 5.262 12.471 8.663 1.00 2.04 H new ATOM 0 HE22 GLN A 19 5.904 14.109 8.829 1.00 2.04 H new ATOM 251 N GLN A 20 9.580 10.192 4.565 1.00 0.28 N ATOM 252 CA GLN A 20 9.450 10.462 3.133 1.00 0.27 C ATOM 253 C GLN A 20 9.267 9.151 2.392 1.00 0.24 C ATOM 254 O GLN A 20 8.447 9.034 1.479 1.00 0.23 O ATOM 255 CB GLN A 20 10.694 11.170 2.594 1.00 0.30 C ATOM 256 CG GLN A 20 10.816 12.633 2.989 1.00 0.37 C ATOM 257 CD GLN A 20 9.695 13.500 2.444 1.00 0.95 C ATOM 258 OE1 GLN A 20 9.299 14.482 3.070 1.00 1.78 O ATOM 259 NE2 GLN A 20 9.195 13.165 1.263 1.00 1.68 N ATOM 0 H GLN A 20 10.513 10.354 4.944 1.00 0.28 H new ATOM 0 HA GLN A 20 8.586 11.109 2.981 1.00 0.27 H new ATOM 0 HB2 GLN A 20 11.578 10.638 2.945 1.00 0.30 H new ATOM 0 HB3 GLN A 20 10.692 11.101 1.506 1.00 0.30 H new ATOM 0 HG2 GLN A 20 10.828 12.708 4.076 1.00 0.37 H new ATOM 0 HG3 GLN A 20 11.771 13.020 2.632 1.00 0.37 H new ATOM 0 HE21 GLN A 20 9.549 12.343 0.774 1.00 1.68 H new ATOM 0 HE22 GLN A 20 8.456 13.729 0.843 1.00 1.68 H new ATOM 268 N GLN A 21 10.057 8.169 2.800 1.00 0.24 N ATOM 269 CA GLN A 21 9.949 6.809 2.302 1.00 0.22 C ATOM 270 C GLN A 21 8.530 6.303 2.493 1.00 0.21 C ATOM 271 O GLN A 21 7.969 5.616 1.642 1.00 0.25 O ATOM 272 CB GLN A 21 10.925 5.916 3.070 1.00 0.25 C ATOM 273 CG GLN A 21 12.384 6.289 2.870 1.00 0.28 C ATOM 274 CD GLN A 21 13.309 5.570 3.837 1.00 0.35 C ATOM 275 OE1 GLN A 21 14.346 6.097 4.226 1.00 1.22 O ATOM 276 NE2 GLN A 21 12.948 4.356 4.230 1.00 1.06 N ATOM 0 H GLN A 21 10.796 8.296 3.491 1.00 0.24 H new ATOM 0 HA GLN A 21 10.192 6.788 1.240 1.00 0.22 H new ATOM 0 HB2 GLN A 21 10.689 5.966 4.133 1.00 0.25 H new ATOM 0 HB3 GLN A 21 10.778 4.882 2.759 1.00 0.25 H new ATOM 0 HG2 GLN A 21 12.679 6.053 1.848 1.00 0.28 H new ATOM 0 HG3 GLN A 21 12.500 7.366 2.994 1.00 0.28 H new ATOM 0 HE21 GLN A 21 12.079 3.946 3.888 1.00 1.06 H new ATOM 0 HE22 GLN A 21 13.539 3.832 4.875 1.00 1.06 H new ATOM 285 N GLN A 22 7.966 6.666 3.631 1.00 0.21 N ATOM 286 CA GLN A 22 6.597 6.334 3.960 1.00 0.21 C ATOM 287 C GLN A 22 5.640 7.004 2.986 1.00 0.18 C ATOM 288 O GLN A 22 4.751 6.361 2.457 1.00 0.17 O ATOM 289 CB GLN A 22 6.310 6.774 5.390 1.00 0.27 C ATOM 290 CG GLN A 22 4.910 6.477 5.869 1.00 0.46 C ATOM 291 CD GLN A 22 4.249 7.657 6.562 1.00 0.92 C ATOM 292 OE1 GLN A 22 3.428 7.480 7.462 1.00 1.56 O ATOM 293 NE2 GLN A 22 4.593 8.868 6.148 1.00 1.60 N ATOM 0 H GLN A 22 8.448 7.201 4.353 1.00 0.21 H new ATOM 0 HA GLN A 22 6.452 5.257 3.880 1.00 0.21 H new ATOM 0 HB2 GLN A 22 7.020 6.284 6.057 1.00 0.27 H new ATOM 0 HB3 GLN A 22 6.487 7.847 5.469 1.00 0.27 H new ATOM 0 HG2 GLN A 22 4.299 6.175 5.018 1.00 0.46 H new ATOM 0 HG3 GLN A 22 4.940 5.631 6.556 1.00 0.46 H new ATOM 0 HE21 GLN A 22 5.277 8.976 5.399 1.00 1.60 H new ATOM 0 HE22 GLN A 22 4.174 9.692 6.578 1.00 1.60 H new ATOM 302 N GLN A 23 5.867 8.289 2.734 1.00 0.19 N ATOM 303 CA GLN A 23 5.008 9.099 1.869 1.00 0.18 C ATOM 304 C GLN A 23 4.845 8.525 0.474 1.00 0.15 C ATOM 305 O GLN A 23 3.778 8.628 -0.117 1.00 0.15 O ATOM 306 CB GLN A 23 5.578 10.483 1.765 1.00 0.20 C ATOM 307 CG GLN A 23 5.522 11.225 3.085 1.00 0.24 C ATOM 308 CD GLN A 23 6.110 12.621 3.030 1.00 0.30 C ATOM 309 OE1 GLN A 23 6.637 13.121 4.023 1.00 1.05 O ATOM 310 NE2 GLN A 23 6.017 13.265 1.877 1.00 1.24 N ATOM 0 H GLN A 23 6.656 8.803 3.125 1.00 0.19 H new ATOM 0 HA GLN A 23 4.019 9.110 2.327 1.00 0.18 H new ATOM 0 HB2 GLN A 23 6.613 10.424 1.427 1.00 0.20 H new ATOM 0 HB3 GLN A 23 5.028 11.045 1.010 1.00 0.20 H new ATOM 0 HG2 GLN A 23 4.484 11.291 3.410 1.00 0.24 H new ATOM 0 HG3 GLN A 23 6.055 10.646 3.839 1.00 0.24 H new ATOM 0 HE21 GLN A 23 5.573 12.816 1.076 1.00 1.24 H new ATOM 0 HE22 GLN A 23 6.390 14.210 1.789 1.00 1.24 H new ATOM 319 N THR A 24 5.907 7.955 -0.060 1.00 0.15 N ATOM 320 CA THR A 24 5.853 7.295 -1.350 1.00 0.14 C ATOM 321 C THR A 24 4.808 6.183 -1.345 1.00 0.12 C ATOM 322 O THR A 24 3.993 6.084 -2.257 1.00 0.12 O ATOM 323 CB THR A 24 7.236 6.735 -1.684 1.00 0.16 C ATOM 324 OG1 THR A 24 8.089 7.789 -2.147 1.00 0.19 O ATOM 325 CG2 THR A 24 7.157 5.624 -2.720 1.00 0.17 C ATOM 0 H THR A 24 6.825 7.936 0.384 1.00 0.15 H new ATOM 0 HA THR A 24 5.563 8.018 -2.112 1.00 0.14 H new ATOM 0 HB THR A 24 7.654 6.305 -0.774 1.00 0.16 H new ATOM 0 HG1 THR A 24 9.011 7.462 -2.206 1.00 0.19 H new ATOM 0 HG21 THR A 24 8.159 5.252 -2.931 1.00 0.17 H new ATOM 0 HG22 THR A 24 6.541 4.811 -2.335 1.00 0.17 H new ATOM 0 HG23 THR A 24 6.714 6.012 -3.637 1.00 0.17 H new ATOM 333 N LEU A 25 4.801 5.383 -0.292 1.00 0.12 N ATOM 334 CA LEU A 25 3.785 4.353 -0.140 1.00 0.11 C ATOM 335 C LEU A 25 2.483 5.019 0.238 1.00 0.11 C ATOM 336 O LEU A 25 1.427 4.695 -0.271 1.00 0.10 O ATOM 337 CB LEU A 25 4.175 3.394 0.961 1.00 0.12 C ATOM 338 CG LEU A 25 5.490 2.665 0.766 1.00 0.14 C ATOM 339 CD1 LEU A 25 6.085 2.342 2.119 1.00 0.32 C ATOM 340 CD2 LEU A 25 5.271 1.402 -0.045 1.00 0.39 C ATOM 0 H LEU A 25 5.482 5.425 0.466 1.00 0.12 H new ATOM 0 HA LEU A 25 3.684 3.803 -1.075 1.00 0.11 H new ATOM 0 HB2 LEU A 25 4.224 3.947 1.899 1.00 0.12 H new ATOM 0 HB3 LEU A 25 3.383 2.653 1.069 1.00 0.12 H new ATOM 0 HG LEU A 25 6.185 3.300 0.217 1.00 0.14 H new ATOM 0 HD11 LEU A 25 7.031 1.818 1.985 1.00 0.32 H new ATOM 0 HD12 LEU A 25 6.258 3.266 2.671 1.00 0.32 H new ATOM 0 HD13 LEU A 25 5.396 1.709 2.678 1.00 0.32 H new ATOM 0 HD21 LEU A 25 6.222 0.886 -0.179 1.00 0.39 H new ATOM 0 HD22 LEU A 25 4.575 0.748 0.480 1.00 0.39 H new ATOM 0 HD23 LEU A 25 4.859 1.662 -1.020 1.00 0.39 H new ATOM 352 N ALA A 26 2.595 6.000 1.107 1.00 0.12 N ATOM 353 CA ALA A 26 1.463 6.774 1.585 1.00 0.13 C ATOM 354 C ALA A 26 0.877 7.648 0.476 1.00 0.13 C ATOM 355 O ALA A 26 0.012 8.493 0.709 1.00 0.16 O ATOM 356 CB ALA A 26 1.913 7.610 2.777 1.00 0.16 C ATOM 0 H ALA A 26 3.487 6.289 1.509 1.00 0.12 H new ATOM 0 HA ALA A 26 0.667 6.098 1.898 1.00 0.13 H new ATOM 0 HB1 ALA A 26 1.073 8.197 3.147 1.00 0.16 H new ATOM 0 HB2 ALA A 26 2.272 6.952 3.568 1.00 0.16 H new ATOM 0 HB3 ALA A 26 2.716 8.280 2.469 1.00 0.16 H new ATOM 362 N THR A 27 1.373 7.423 -0.725 1.00 0.12 N ATOM 363 CA THR A 27 0.888 8.050 -1.923 1.00 0.12 C ATOM 364 C THR A 27 0.483 6.960 -2.910 1.00 0.11 C ATOM 365 O THR A 27 -0.613 6.965 -3.447 1.00 0.11 O ATOM 366 CB THR A 27 1.986 8.938 -2.547 1.00 0.15 C ATOM 367 OG1 THR A 27 2.079 10.185 -1.849 1.00 0.20 O ATOM 368 CG2 THR A 27 1.742 9.178 -4.025 1.00 0.15 C ATOM 0 H THR A 27 2.147 6.779 -0.891 1.00 0.12 H new ATOM 0 HA THR A 27 0.031 8.680 -1.685 1.00 0.12 H new ATOM 0 HB THR A 27 2.932 8.406 -2.450 1.00 0.15 H new ATOM 0 HG1 THR A 27 2.644 10.075 -1.056 1.00 0.20 H new ATOM 0 HG21 THR A 27 2.536 9.807 -4.427 1.00 0.15 H new ATOM 0 HG22 THR A 27 1.733 8.224 -4.552 1.00 0.15 H new ATOM 0 HG23 THR A 27 0.782 9.676 -4.159 1.00 0.15 H new ATOM 376 N LEU A 28 1.388 6.009 -3.092 1.00 0.09 N ATOM 377 CA LEU A 28 1.210 4.889 -3.988 1.00 0.09 C ATOM 378 C LEU A 28 0.134 3.945 -3.503 1.00 0.08 C ATOM 379 O LEU A 28 -0.691 3.478 -4.273 1.00 0.08 O ATOM 380 CB LEU A 28 2.515 4.128 -4.091 1.00 0.10 C ATOM 381 CG LEU A 28 2.342 2.664 -4.456 1.00 0.11 C ATOM 382 CD1 LEU A 28 2.421 2.458 -5.954 1.00 0.42 C ATOM 383 CD2 LEU A 28 3.335 1.803 -3.703 1.00 0.49 C ATOM 0 H LEU A 28 2.285 6.000 -2.607 1.00 0.09 H new ATOM 0 HA LEU A 28 0.906 5.281 -4.959 1.00 0.09 H new ATOM 0 HB2 LEU A 28 3.147 4.607 -4.839 1.00 0.10 H new ATOM 0 HB3 LEU A 28 3.041 4.196 -3.139 1.00 0.10 H new ATOM 0 HG LEU A 28 1.344 2.349 -4.150 1.00 0.11 H new ATOM 0 HD11 LEU A 28 2.294 1.400 -6.183 1.00 0.42 H new ATOM 0 HD12 LEU A 28 1.634 3.032 -6.442 1.00 0.42 H new ATOM 0 HD13 LEU A 28 3.393 2.793 -6.317 1.00 0.42 H new ATOM 0 HD21 LEU A 28 3.194 0.758 -3.979 1.00 0.49 H new ATOM 0 HD22 LEU A 28 4.349 2.111 -3.956 1.00 0.49 H new ATOM 0 HD23 LEU A 28 3.178 1.919 -2.631 1.00 0.49 H new ATOM 395 N VAL A 29 0.176 3.655 -2.226 1.00 0.08 N ATOM 396 CA VAL A 29 -0.776 2.754 -1.610 1.00 0.09 C ATOM 397 C VAL A 29 -2.160 3.364 -1.663 1.00 0.08 C ATOM 398 O VAL A 29 -3.175 2.680 -1.816 1.00 0.09 O ATOM 399 CB VAL A 29 -0.388 2.465 -0.152 1.00 0.10 C ATOM 400 CG1 VAL A 29 -1.525 1.782 0.589 1.00 0.11 C ATOM 401 CG2 VAL A 29 0.873 1.620 -0.119 1.00 0.10 C ATOM 0 H VAL A 29 0.869 4.035 -1.582 1.00 0.08 H new ATOM 0 HA VAL A 29 -0.771 1.813 -2.160 1.00 0.09 H new ATOM 0 HB VAL A 29 -0.191 3.409 0.356 1.00 0.10 H new ATOM 0 HG11 VAL A 29 -1.224 1.589 1.619 1.00 0.11 H new ATOM 0 HG12 VAL A 29 -2.403 2.428 0.583 1.00 0.11 H new ATOM 0 HG13 VAL A 29 -1.765 0.839 0.098 1.00 0.11 H new ATOM 0 HG21 VAL A 29 1.147 1.416 0.916 1.00 0.10 H new ATOM 0 HG22 VAL A 29 0.694 0.679 -0.639 1.00 0.10 H new ATOM 0 HG23 VAL A 29 1.684 2.158 -0.610 1.00 0.10 H new ATOM 411 N ALA A 30 -2.181 4.670 -1.564 1.00 0.08 N ATOM 412 CA ALA A 30 -3.405 5.414 -1.666 1.00 0.08 C ATOM 413 C ALA A 30 -3.815 5.539 -3.110 1.00 0.09 C ATOM 414 O ALA A 30 -4.986 5.562 -3.424 1.00 0.10 O ATOM 415 CB ALA A 30 -3.223 6.774 -1.059 1.00 0.08 C ATOM 0 H ALA A 30 -1.351 5.243 -1.411 1.00 0.08 H new ATOM 0 HA ALA A 30 -4.190 4.886 -1.125 1.00 0.08 H new ATOM 0 HB1 ALA A 30 -4.154 7.335 -1.138 1.00 0.08 H new ATOM 0 HB2 ALA A 30 -2.950 6.670 -0.009 1.00 0.08 H new ATOM 0 HB3 ALA A 30 -2.432 7.306 -1.588 1.00 0.08 H new ATOM 421 N ALA A 31 -2.823 5.631 -3.970 1.00 0.08 N ATOM 422 CA ALA A 31 -3.028 5.652 -5.406 1.00 0.09 C ATOM 423 C ALA A 31 -3.616 4.321 -5.830 1.00 0.09 C ATOM 424 O ALA A 31 -4.490 4.238 -6.692 1.00 0.11 O ATOM 425 CB ALA A 31 -1.696 5.914 -6.096 1.00 0.10 C ATOM 0 H ALA A 31 -1.844 5.694 -3.692 1.00 0.08 H new ATOM 0 HA ALA A 31 -3.720 6.446 -5.689 1.00 0.09 H new ATOM 0 HB1 ALA A 31 -1.843 5.931 -7.176 1.00 0.10 H new ATOM 0 HB2 ALA A 31 -1.299 6.875 -5.768 1.00 0.10 H new ATOM 0 HB3 ALA A 31 -0.991 5.124 -5.838 1.00 0.10 H new ATOM 431 N ALA A 32 -3.108 3.285 -5.193 1.00 0.09 N ATOM 432 CA ALA A 32 -3.638 1.945 -5.304 1.00 0.10 C ATOM 433 C ALA A 32 -5.106 1.899 -4.895 1.00 0.09 C ATOM 434 O ALA A 32 -5.942 1.358 -5.620 1.00 0.10 O ATOM 435 CB ALA A 32 -2.815 1.030 -4.421 1.00 0.12 C ATOM 0 H ALA A 32 -2.301 3.354 -4.573 1.00 0.09 H new ATOM 0 HA ALA A 32 -3.579 1.617 -6.342 1.00 0.10 H new ATOM 0 HB1 ALA A 32 -3.200 0.013 -4.492 1.00 0.12 H new ATOM 0 HB2 ALA A 32 -1.775 1.048 -4.748 1.00 0.12 H new ATOM 0 HB3 ALA A 32 -2.876 1.370 -3.387 1.00 0.12 H new ATOM 441 N THR A 33 -5.430 2.475 -3.741 1.00 0.08 N ATOM 442 CA THR A 33 -6.810 2.470 -3.279 1.00 0.07 C ATOM 443 C THR A 33 -7.631 3.517 -4.033 1.00 0.08 C ATOM 444 O THR A 33 -8.856 3.459 -4.088 1.00 0.10 O ATOM 445 CB THR A 33 -6.897 2.727 -1.768 1.00 0.08 C ATOM 446 OG1 THR A 33 -5.920 1.934 -1.082 1.00 0.09 O ATOM 447 CG2 THR A 33 -8.288 2.384 -1.255 1.00 0.09 C ATOM 0 H THR A 33 -4.769 2.942 -3.121 1.00 0.08 H new ATOM 0 HA THR A 33 -7.220 1.480 -3.480 1.00 0.07 H new ATOM 0 HB THR A 33 -6.701 3.783 -1.580 1.00 0.08 H new ATOM 0 HG1 THR A 33 -5.024 2.285 -1.269 1.00 0.09 H new ATOM 0 HG21 THR A 33 -8.336 2.571 -0.182 1.00 0.09 H new ATOM 0 HG22 THR A 33 -9.027 3.003 -1.765 1.00 0.09 H new ATOM 0 HG23 THR A 33 -8.499 1.333 -1.450 1.00 0.09 H new ATOM 455 N ALA A 34 -6.949 4.470 -4.621 1.00 0.08 N ATOM 456 CA ALA A 34 -7.596 5.434 -5.477 1.00 0.09 C ATOM 457 C ALA A 34 -8.047 4.737 -6.752 1.00 0.11 C ATOM 458 O ALA A 34 -9.074 5.064 -7.339 1.00 0.20 O ATOM 459 CB ALA A 34 -6.653 6.590 -5.766 1.00 0.10 C ATOM 0 H ALA A 34 -5.942 4.599 -4.522 1.00 0.08 H new ATOM 0 HA ALA A 34 -8.474 5.850 -4.983 1.00 0.09 H new ATOM 0 HB1 ALA A 34 -7.151 7.312 -6.413 1.00 0.10 H new ATOM 0 HB2 ALA A 34 -6.373 7.074 -4.830 1.00 0.10 H new ATOM 0 HB3 ALA A 34 -5.758 6.214 -6.262 1.00 0.10 H new ATOM 465 N THR A 35 -7.282 3.729 -7.134 1.00 0.11 N ATOM 466 CA THR A 35 -7.599 2.898 -8.262 1.00 0.12 C ATOM 467 C THR A 35 -8.817 2.017 -7.961 1.00 0.11 C ATOM 468 O THR A 35 -9.785 1.993 -8.729 1.00 0.14 O ATOM 469 CB THR A 35 -6.382 2.019 -8.599 1.00 0.16 C ATOM 470 OG1 THR A 35 -5.525 2.686 -9.537 1.00 0.22 O ATOM 471 CG2 THR A 35 -6.820 0.669 -9.122 1.00 0.17 C ATOM 0 H THR A 35 -6.417 3.469 -6.660 1.00 0.11 H new ATOM 0 HA THR A 35 -7.842 3.532 -9.114 1.00 0.12 H new ATOM 0 HB THR A 35 -5.815 1.851 -7.683 1.00 0.16 H new ATOM 0 HG1 THR A 35 -4.755 2.115 -9.740 1.00 0.22 H new ATOM 0 HG21 THR A 35 -5.942 0.066 -9.353 1.00 0.17 H new ATOM 0 HG22 THR A 35 -7.419 0.163 -8.365 1.00 0.17 H new ATOM 0 HG23 THR A 35 -7.415 0.804 -10.025 1.00 0.17 H new ATOM 479 N VAL A 36 -8.767 1.320 -6.825 1.00 0.10 N ATOM 480 CA VAL A 36 -9.788 0.337 -6.475 1.00 0.11 C ATOM 481 C VAL A 36 -11.178 0.957 -6.396 1.00 0.13 C ATOM 482 O VAL A 36 -12.174 0.298 -6.687 1.00 0.17 O ATOM 483 CB VAL A 36 -9.475 -0.374 -5.139 1.00 0.09 C ATOM 484 CG1 VAL A 36 -8.283 -1.299 -5.254 1.00 0.18 C ATOM 485 CG2 VAL A 36 -9.272 0.609 -4.026 1.00 0.16 C ATOM 0 H VAL A 36 -8.027 1.420 -6.131 1.00 0.10 H new ATOM 0 HA VAL A 36 -9.776 -0.399 -7.279 1.00 0.11 H new ATOM 0 HB VAL A 36 -10.346 -0.984 -4.900 1.00 0.09 H new ATOM 0 HG11 VAL A 36 -8.099 -1.777 -4.292 1.00 0.18 H new ATOM 0 HG12 VAL A 36 -8.486 -2.062 -6.006 1.00 0.18 H new ATOM 0 HG13 VAL A 36 -7.404 -0.725 -5.547 1.00 0.18 H new ATOM 0 HG21 VAL A 36 -9.054 0.073 -3.102 1.00 0.16 H new ATOM 0 HG22 VAL A 36 -8.438 1.267 -4.269 1.00 0.16 H new ATOM 0 HG23 VAL A 36 -10.177 1.203 -3.896 1.00 0.16 H new ATOM 495 N LEU A 37 -11.246 2.224 -6.017 1.00 0.12 N ATOM 496 CA LEU A 37 -12.532 2.883 -5.810 1.00 0.16 C ATOM 497 C LEU A 37 -12.939 3.758 -6.994 1.00 0.25 C ATOM 498 O LEU A 37 -14.015 4.356 -6.986 1.00 0.65 O ATOM 499 CB LEU A 37 -12.451 3.745 -4.561 1.00 0.15 C ATOM 500 CG LEU A 37 -11.772 3.079 -3.380 1.00 0.13 C ATOM 501 CD1 LEU A 37 -11.496 4.099 -2.301 1.00 0.18 C ATOM 502 CD2 LEU A 37 -12.621 1.938 -2.856 1.00 0.15 C ATOM 0 H LEU A 37 -10.433 2.816 -5.847 1.00 0.12 H new ATOM 0 HA LEU A 37 -13.287 2.104 -5.702 1.00 0.16 H new ATOM 0 HB2 LEU A 37 -11.914 4.663 -4.802 1.00 0.15 H new ATOM 0 HB3 LEU A 37 -13.460 4.034 -4.268 1.00 0.15 H new ATOM 0 HG LEU A 37 -10.819 2.661 -3.705 1.00 0.13 H new ATOM 0 HD11 LEU A 37 -11.008 3.612 -1.456 1.00 0.18 H new ATOM 0 HD12 LEU A 37 -10.845 4.879 -2.696 1.00 0.18 H new ATOM 0 HD13 LEU A 37 -12.435 4.543 -1.971 1.00 0.18 H new ATOM 0 HD21 LEU A 37 -12.119 1.471 -2.009 1.00 0.15 H new ATOM 0 HD22 LEU A 37 -13.590 2.322 -2.537 1.00 0.15 H new ATOM 0 HD23 LEU A 37 -12.765 1.200 -3.645 1.00 0.15 H new ATOM 514 N GLY A 38 -12.090 3.836 -8.009 1.00 0.43 N ATOM 515 CA GLY A 38 -12.374 4.708 -9.140 1.00 0.49 C ATOM 516 C GLY A 38 -12.042 6.172 -8.880 1.00 0.51 C ATOM 517 O GLY A 38 -12.180 7.009 -9.770 1.00 0.62 O ATOM 0 H GLY A 38 -11.215 3.317 -8.074 1.00 0.43 H new ATOM 0 HA2 GLY A 38 -11.807 4.364 -10.005 1.00 0.49 H new ATOM 0 HA3 GLY A 38 -13.430 4.624 -9.397 1.00 0.49 H new ATOM 521 N HIS A 39 -11.614 6.487 -7.662 1.00 0.57 N ATOM 522 CA HIS A 39 -11.186 7.846 -7.328 1.00 0.68 C ATOM 523 C HIS A 39 -9.728 8.002 -7.703 1.00 0.82 C ATOM 524 O HIS A 39 -8.878 7.978 -6.833 1.00 1.81 O ATOM 525 CB HIS A 39 -11.335 8.136 -5.832 1.00 0.65 C ATOM 526 CG HIS A 39 -12.745 8.118 -5.323 1.00 0.73 C ATOM 527 ND1 HIS A 39 -13.395 9.244 -4.862 1.00 1.09 N ATOM 528 CD2 HIS A 39 -13.622 7.099 -5.178 1.00 0.67 C ATOM 529 CE1 HIS A 39 -14.607 8.915 -4.457 1.00 1.15 C ATOM 530 NE2 HIS A 39 -14.769 7.620 -4.641 1.00 0.88 N ATOM 0 H HIS A 39 -11.553 5.824 -6.890 1.00 0.57 H new ATOM 0 HA HIS A 39 -11.816 8.545 -7.878 1.00 0.68 H new ATOM 0 HB2 HIS A 39 -10.754 7.402 -5.275 1.00 0.65 H new ATOM 0 HB3 HIS A 39 -10.900 9.113 -5.621 1.00 0.65 H new ATOM 0 HD2 HIS A 39 -13.450 6.065 -5.438 1.00 0.67 H new ATOM 0 HE1 HIS A 39 -15.341 9.592 -4.045 1.00 1.15 H new ATOM 0 HE2 HIS A 39 -15.613 7.091 -4.419 1.00 0.88 H new ATOM 539 N HIS A 40 -9.463 8.182 -8.994 1.00 0.53 N ATOM 540 CA HIS A 40 -8.117 8.024 -9.565 1.00 0.48 C ATOM 541 C HIS A 40 -7.013 8.709 -8.750 1.00 0.45 C ATOM 542 O HIS A 40 -5.897 8.196 -8.680 1.00 0.59 O ATOM 543 CB HIS A 40 -8.085 8.552 -10.998 1.00 0.58 C ATOM 544 CG HIS A 40 -7.018 7.929 -11.851 1.00 0.73 C ATOM 545 ND1 HIS A 40 -7.292 7.309 -13.049 1.00 1.35 N ATOM 546 CD2 HIS A 40 -5.673 7.835 -11.683 1.00 0.62 C ATOM 547 CE1 HIS A 40 -6.172 6.862 -13.582 1.00 1.46 C ATOM 548 NE2 HIS A 40 -5.176 7.168 -12.774 1.00 0.94 N ATOM 0 H HIS A 40 -10.172 8.442 -9.679 1.00 0.53 H new ATOM 0 HA HIS A 40 -7.910 6.954 -9.543 1.00 0.48 H new ATOM 0 HB2 HIS A 40 -9.056 8.376 -11.461 1.00 0.58 H new ATOM 0 HB3 HIS A 40 -7.934 9.631 -10.974 1.00 0.58 H new ATOM 0 HD2 HIS A 40 -5.103 8.214 -10.848 1.00 0.62 H new ATOM 0 HE1 HIS A 40 -6.085 6.335 -14.521 1.00 1.46 H new ATOM 0 HE2 HIS A 40 -4.194 6.945 -12.934 1.00 0.94 H new ATOM 557 N THR A 41 -7.299 9.853 -8.144 1.00 0.46 N ATOM 558 CA THR A 41 -6.275 10.546 -7.382 1.00 0.55 C ATOM 559 C THR A 41 -6.298 10.133 -5.909 1.00 0.37 C ATOM 560 O THR A 41 -7.359 9.960 -5.299 1.00 0.45 O ATOM 561 CB THR A 41 -6.385 12.084 -7.490 1.00 0.92 C ATOM 562 OG1 THR A 41 -5.299 12.717 -6.802 1.00 1.97 O ATOM 563 CG2 THR A 41 -7.687 12.584 -6.908 1.00 0.56 C ATOM 0 H THR A 41 -8.210 10.311 -8.164 1.00 0.46 H new ATOM 0 HA THR A 41 -5.324 10.248 -7.824 1.00 0.55 H new ATOM 0 HB THR A 41 -6.348 12.336 -8.550 1.00 0.92 H new ATOM 0 HG1 THR A 41 -5.434 13.688 -6.800 1.00 1.97 H new ATOM 0 HG21 THR A 41 -7.733 13.669 -6.999 1.00 0.56 H new ATOM 0 HG22 THR A 41 -8.522 12.138 -7.448 1.00 0.56 H new ATOM 0 HG23 THR A 41 -7.746 12.306 -5.856 1.00 0.56 H new ATOM 571 N PRO A 42 -5.100 9.996 -5.327 1.00 0.24 N ATOM 572 CA PRO A 42 -4.909 9.628 -3.921 1.00 0.27 C ATOM 573 C PRO A 42 -5.386 10.729 -2.987 1.00 0.40 C ATOM 574 O PRO A 42 -5.483 10.540 -1.775 1.00 0.50 O ATOM 575 CB PRO A 42 -3.394 9.441 -3.773 1.00 0.31 C ATOM 576 CG PRO A 42 -2.829 9.521 -5.149 1.00 0.29 C ATOM 577 CD PRO A 42 -3.835 10.228 -6.011 1.00 0.27 C ATOM 0 HA PRO A 42 -5.478 8.735 -3.661 1.00 0.27 H new ATOM 0 HB2 PRO A 42 -2.967 10.212 -3.132 1.00 0.31 H new ATOM 0 HB3 PRO A 42 -3.163 8.480 -3.313 1.00 0.31 H new ATOM 0 HG2 PRO A 42 -1.882 10.061 -5.144 1.00 0.29 H new ATOM 0 HG3 PRO A 42 -2.625 8.523 -5.538 1.00 0.29 H new ATOM 0 HD2 PRO A 42 -3.614 11.292 -6.094 1.00 0.27 H new ATOM 0 HD3 PRO A 42 -3.848 9.825 -7.024 1.00 0.27 H new ATOM 585 N GLU A 43 -5.674 11.883 -3.571 1.00 0.43 N ATOM 586 CA GLU A 43 -6.206 13.023 -2.833 1.00 0.55 C ATOM 587 C GLU A 43 -7.510 12.666 -2.125 1.00 0.52 C ATOM 588 O GLU A 43 -7.820 13.201 -1.062 1.00 0.61 O ATOM 589 CB GLU A 43 -6.443 14.192 -3.777 1.00 0.68 C ATOM 590 CG GLU A 43 -5.171 14.783 -4.326 1.00 0.69 C ATOM 591 CD GLU A 43 -5.437 15.814 -5.397 1.00 1.18 C ATOM 592 OE1 GLU A 43 -5.726 16.976 -5.045 1.00 1.38 O ATOM 593 OE2 GLU A 43 -5.346 15.471 -6.594 1.00 1.82 O ATOM 0 H GLU A 43 -5.546 12.057 -4.568 1.00 0.43 H new ATOM 0 HA GLU A 43 -5.471 13.304 -2.079 1.00 0.55 H new ATOM 0 HB2 GLU A 43 -7.068 13.860 -4.606 1.00 0.68 H new ATOM 0 HB3 GLU A 43 -6.998 14.968 -3.250 1.00 0.68 H new ATOM 0 HG2 GLU A 43 -4.606 15.242 -3.515 1.00 0.69 H new ATOM 0 HG3 GLU A 43 -4.550 13.987 -4.737 1.00 0.69 H new ATOM 600 N SER A 44 -8.271 11.755 -2.718 1.00 0.44 N ATOM 601 CA SER A 44 -9.538 11.332 -2.143 1.00 0.43 C ATOM 602 C SER A 44 -9.339 10.087 -1.282 1.00 0.35 C ATOM 603 O SER A 44 -10.303 9.452 -0.850 1.00 0.49 O ATOM 604 CB SER A 44 -10.548 11.058 -3.253 1.00 0.50 C ATOM 605 OG SER A 44 -11.862 10.898 -2.735 1.00 0.97 O ATOM 0 H SER A 44 -8.032 11.296 -3.597 1.00 0.44 H new ATOM 0 HA SER A 44 -9.923 12.131 -1.509 1.00 0.43 H new ATOM 0 HB2 SER A 44 -10.536 11.880 -3.968 1.00 0.50 H new ATOM 0 HB3 SER A 44 -10.258 10.159 -3.796 1.00 0.50 H new ATOM 0 HG SER A 44 -12.397 10.366 -3.360 1.00 0.97 H new ATOM 611 N ILE A 45 -8.081 9.745 -1.044 1.00 0.19 N ATOM 612 CA ILE A 45 -7.740 8.570 -0.258 1.00 0.13 C ATOM 613 C ILE A 45 -7.008 8.973 1.018 1.00 0.13 C ATOM 614 O ILE A 45 -5.783 9.105 1.028 1.00 0.19 O ATOM 615 CB ILE A 45 -6.856 7.597 -1.061 1.00 0.11 C ATOM 616 CG1 ILE A 45 -7.479 7.321 -2.428 1.00 0.12 C ATOM 617 CG2 ILE A 45 -6.648 6.289 -0.301 1.00 0.10 C ATOM 618 CD1 ILE A 45 -8.865 6.718 -2.374 1.00 0.11 C ATOM 0 H ILE A 45 -7.276 10.269 -1.387 1.00 0.19 H new ATOM 0 HA ILE A 45 -8.673 8.068 -0.002 1.00 0.13 H new ATOM 0 HB ILE A 45 -5.882 8.064 -1.204 1.00 0.11 H new ATOM 0 HG12 ILE A 45 -7.524 8.255 -2.988 1.00 0.12 H new ATOM 0 HG13 ILE A 45 -6.825 6.648 -2.982 1.00 0.12 H new ATOM 0 HG21 ILE A 45 -6.020 5.621 -0.891 1.00 0.10 H new ATOM 0 HG22 ILE A 45 -6.162 6.496 0.652 1.00 0.10 H new ATOM 0 HG23 ILE A 45 -7.613 5.815 -0.121 1.00 0.10 H new ATOM 0 HD11 ILE A 45 -9.231 6.555 -3.388 1.00 0.11 H new ATOM 0 HD12 ILE A 45 -8.827 5.766 -1.845 1.00 0.11 H new ATOM 0 HD13 ILE A 45 -9.537 7.398 -1.851 1.00 0.11 H new ATOM 630 N SER A 46 -7.762 9.191 2.083 1.00 0.11 N ATOM 631 CA SER A 46 -7.179 9.512 3.373 1.00 0.12 C ATOM 632 C SER A 46 -6.580 8.243 3.971 1.00 0.11 C ATOM 633 O SER A 46 -7.125 7.153 3.790 1.00 0.12 O ATOM 634 CB SER A 46 -8.245 10.090 4.304 1.00 0.16 C ATOM 635 OG SER A 46 -7.672 10.740 5.425 1.00 1.18 O ATOM 0 H SER A 46 -8.781 9.151 2.078 1.00 0.11 H new ATOM 0 HA SER A 46 -6.396 10.260 3.249 1.00 0.12 H new ATOM 0 HB2 SER A 46 -8.864 10.797 3.752 1.00 0.16 H new ATOM 0 HB3 SER A 46 -8.902 9.290 4.645 1.00 0.16 H new ATOM 0 HG SER A 46 -8.384 11.098 5.995 1.00 1.18 H new ATOM 641 N PRO A 47 -5.483 8.365 4.731 1.00 0.12 N ATOM 642 CA PRO A 47 -4.728 7.228 5.218 1.00 0.12 C ATOM 643 C PRO A 47 -5.273 6.757 6.538 1.00 0.10 C ATOM 644 O PRO A 47 -4.862 5.730 7.072 1.00 0.11 O ATOM 645 CB PRO A 47 -3.341 7.826 5.394 1.00 0.15 C ATOM 646 CG PRO A 47 -3.605 9.217 5.861 1.00 0.17 C ATOM 647 CD PRO A 47 -4.937 9.621 5.270 1.00 0.16 C ATOM 0 HA PRO A 47 -4.757 6.361 4.558 1.00 0.12 H new ATOM 0 HB2 PRO A 47 -2.754 7.265 6.121 1.00 0.15 H new ATOM 0 HB3 PRO A 47 -2.781 7.818 4.459 1.00 0.15 H new ATOM 0 HG2 PRO A 47 -3.634 9.262 6.950 1.00 0.17 H new ATOM 0 HG3 PRO A 47 -2.814 9.893 5.535 1.00 0.17 H new ATOM 0 HD2 PRO A 47 -5.595 10.051 6.025 1.00 0.16 H new ATOM 0 HD3 PRO A 47 -4.816 10.371 4.489 1.00 0.16 H new ATOM 655 N ALA A 48 -6.223 7.516 7.036 1.00 0.12 N ATOM 656 CA ALA A 48 -6.733 7.311 8.355 1.00 0.13 C ATOM 657 C ALA A 48 -8.246 7.123 8.336 1.00 0.13 C ATOM 658 O ALA A 48 -8.884 6.987 9.380 1.00 0.17 O ATOM 659 CB ALA A 48 -6.306 8.477 9.214 1.00 0.18 C ATOM 0 H ALA A 48 -6.657 8.289 6.532 1.00 0.12 H new ATOM 0 HA ALA A 48 -6.325 6.394 8.779 1.00 0.13 H new ATOM 0 HB1 ALA A 48 -6.685 8.341 10.227 1.00 0.18 H new ATOM 0 HB2 ALA A 48 -5.218 8.532 9.238 1.00 0.18 H new ATOM 0 HB3 ALA A 48 -6.706 9.401 8.798 1.00 0.18 H new ATOM 665 N THR A 49 -8.809 7.116 7.134 1.00 0.12 N ATOM 666 CA THR A 49 -10.219 6.850 6.941 1.00 0.12 C ATOM 667 C THR A 49 -10.526 5.372 7.165 1.00 0.10 C ATOM 668 O THR A 49 -11.490 5.038 7.855 1.00 0.10 O ATOM 669 CB THR A 49 -10.640 7.246 5.515 1.00 0.14 C ATOM 670 OG1 THR A 49 -10.732 8.671 5.399 1.00 0.20 O ATOM 671 CG2 THR A 49 -11.952 6.597 5.134 1.00 0.13 C ATOM 0 H THR A 49 -8.297 7.295 6.270 1.00 0.12 H new ATOM 0 HA THR A 49 -10.779 7.441 7.666 1.00 0.12 H new ATOM 0 HB THR A 49 -9.876 6.888 4.825 1.00 0.14 H new ATOM 0 HG1 THR A 49 -10.231 9.092 6.129 1.00 0.20 H new ATOM 0 HG21 THR A 49 -12.225 6.895 4.122 1.00 0.13 H new ATOM 0 HG22 THR A 49 -11.848 5.513 5.178 1.00 0.13 H new ATOM 0 HG23 THR A 49 -12.730 6.915 5.828 1.00 0.13 H new ATOM 679 N ALA A 50 -9.654 4.535 6.582 1.00 0.09 N ATOM 680 CA ALA A 50 -9.733 3.066 6.589 1.00 0.08 C ATOM 681 C ALA A 50 -10.284 2.552 5.282 1.00 0.08 C ATOM 682 O ALA A 50 -11.199 3.122 4.704 1.00 0.09 O ATOM 683 CB ALA A 50 -10.534 2.503 7.750 1.00 0.09 C ATOM 0 H ALA A 50 -8.840 4.878 6.071 1.00 0.09 H new ATOM 0 HA ALA A 50 -8.709 2.716 6.719 1.00 0.08 H new ATOM 0 HB1 ALA A 50 -10.548 1.415 7.688 1.00 0.09 H new ATOM 0 HB2 ALA A 50 -10.075 2.807 8.690 1.00 0.09 H new ATOM 0 HB3 ALA A 50 -11.555 2.882 7.705 1.00 0.09 H new ATOM 689 N PHE A 51 -9.678 1.470 4.824 1.00 0.08 N ATOM 690 CA PHE A 51 -10.077 0.788 3.603 1.00 0.09 C ATOM 691 C PHE A 51 -11.530 0.396 3.647 1.00 0.10 C ATOM 692 O PHE A 51 -12.259 0.555 2.668 1.00 0.10 O ATOM 693 CB PHE A 51 -9.226 -0.450 3.419 1.00 0.11 C ATOM 694 CG PHE A 51 -7.813 -0.110 3.126 1.00 0.11 C ATOM 695 CD1 PHE A 51 -7.504 0.788 2.135 1.00 0.11 C ATOM 696 CD2 PHE A 51 -6.794 -0.711 3.834 1.00 0.12 C ATOM 697 CE1 PHE A 51 -6.197 1.088 1.849 1.00 0.12 C ATOM 698 CE2 PHE A 51 -5.482 -0.418 3.559 1.00 0.13 C ATOM 699 CZ PHE A 51 -5.192 0.563 2.598 1.00 0.13 C ATOM 0 H PHE A 51 -8.885 1.034 5.295 1.00 0.08 H new ATOM 0 HA PHE A 51 -9.933 1.471 2.766 1.00 0.09 H new ATOM 0 HB2 PHE A 51 -9.273 -1.060 4.321 1.00 0.11 H new ATOM 0 HB3 PHE A 51 -9.631 -1.052 2.605 1.00 0.11 H new ATOM 0 HD1 PHE A 51 -8.297 1.262 1.576 1.00 0.11 H new ATOM 0 HD2 PHE A 51 -7.031 -1.420 4.613 1.00 0.12 H new ATOM 0 HE1 PHE A 51 -5.965 1.745 1.024 1.00 0.12 H new ATOM 0 HE2 PHE A 51 -4.685 -0.934 4.074 1.00 0.13 H new ATOM 0 HZ PHE A 51 -4.176 0.899 2.455 1.00 0.13 H new ATOM 709 N LYS A 52 -11.940 -0.124 4.787 1.00 0.11 N ATOM 710 CA LYS A 52 -13.322 -0.463 5.017 1.00 0.13 C ATOM 711 C LYS A 52 -14.207 0.735 4.734 1.00 0.12 C ATOM 712 O LYS A 52 -15.243 0.632 4.075 1.00 0.15 O ATOM 713 CB LYS A 52 -13.508 -0.870 6.470 1.00 0.17 C ATOM 714 CG LYS A 52 -12.715 -2.106 6.851 1.00 0.53 C ATOM 715 CD LYS A 52 -13.055 -2.603 8.247 1.00 0.64 C ATOM 716 CE LYS A 52 -12.599 -1.636 9.318 1.00 0.59 C ATOM 717 NZ LYS A 52 -12.944 -2.116 10.681 1.00 1.22 N ATOM 0 H LYS A 52 -11.323 -0.321 5.575 1.00 0.11 H new ATOM 0 HA LYS A 52 -13.596 -1.285 4.356 1.00 0.13 H new ATOM 0 HB2 LYS A 52 -13.210 -0.042 7.113 1.00 0.17 H new ATOM 0 HB3 LYS A 52 -14.566 -1.053 6.657 1.00 0.17 H new ATOM 0 HG2 LYS A 52 -12.911 -2.898 6.128 1.00 0.53 H new ATOM 0 HG3 LYS A 52 -11.650 -1.882 6.797 1.00 0.53 H new ATOM 0 HD2 LYS A 52 -14.132 -2.752 8.327 1.00 0.64 H new ATOM 0 HD3 LYS A 52 -12.586 -3.573 8.411 1.00 0.64 H new ATOM 0 HE2 LYS A 52 -11.521 -1.495 9.245 1.00 0.59 H new ATOM 0 HE3 LYS A 52 -13.060 -0.663 9.148 1.00 0.59 H new ATOM 0 HZ1 LYS A 52 -12.615 -1.426 11.386 1.00 1.22 H new ATOM 0 HZ2 LYS A 52 -13.975 -2.226 10.760 1.00 1.22 H new ATOM 0 HZ3 LYS A 52 -12.484 -3.033 10.853 1.00 1.22 H new ATOM 731 N ASP A 53 -13.755 1.874 5.226 1.00 0.11 N ATOM 732 CA ASP A 53 -14.502 3.112 5.132 1.00 0.11 C ATOM 733 C ASP A 53 -14.354 3.735 3.748 1.00 0.10 C ATOM 734 O ASP A 53 -15.060 4.679 3.392 1.00 0.18 O ATOM 735 CB ASP A 53 -14.013 4.096 6.198 1.00 0.12 C ATOM 736 CG ASP A 53 -14.399 3.686 7.604 1.00 0.58 C ATOM 737 OD1 ASP A 53 -13.785 2.738 8.140 1.00 1.14 O ATOM 738 OD2 ASP A 53 -15.320 4.302 8.182 1.00 0.67 O ATOM 0 H ASP A 53 -12.858 1.965 5.703 1.00 0.11 H new ATOM 0 HA ASP A 53 -15.556 2.889 5.298 1.00 0.11 H new ATOM 0 HB2 ASP A 53 -12.928 4.181 6.135 1.00 0.12 H new ATOM 0 HB3 ASP A 53 -14.423 5.084 5.988 1.00 0.12 H new ATOM 743 N LEU A 54 -13.426 3.188 2.978 1.00 0.08 N ATOM 744 CA LEU A 54 -13.092 3.704 1.659 1.00 0.08 C ATOM 745 C LEU A 54 -13.894 3.007 0.575 1.00 0.08 C ATOM 746 O LEU A 54 -14.173 3.586 -0.474 1.00 0.10 O ATOM 747 CB LEU A 54 -11.595 3.519 1.406 1.00 0.08 C ATOM 748 CG LEU A 54 -10.704 4.609 1.995 1.00 0.09 C ATOM 749 CD1 LEU A 54 -9.258 4.163 2.026 1.00 0.10 C ATOM 750 CD2 LEU A 54 -10.839 5.884 1.194 1.00 0.12 C ATOM 0 H LEU A 54 -12.881 2.370 3.251 1.00 0.08 H new ATOM 0 HA LEU A 54 -13.343 4.764 1.629 1.00 0.08 H new ATOM 0 HB2 LEU A 54 -11.288 2.557 1.817 1.00 0.08 H new ATOM 0 HB3 LEU A 54 -11.426 3.474 0.330 1.00 0.08 H new ATOM 0 HG LEU A 54 -11.027 4.798 3.019 1.00 0.09 H new ATOM 0 HD11 LEU A 54 -8.642 4.956 2.450 1.00 0.10 H new ATOM 0 HD12 LEU A 54 -9.167 3.266 2.639 1.00 0.10 H new ATOM 0 HD13 LEU A 54 -8.923 3.945 1.012 1.00 0.10 H new ATOM 0 HD21 LEU A 54 -10.198 6.654 1.624 1.00 0.12 H new ATOM 0 HD22 LEU A 54 -10.541 5.699 0.162 1.00 0.12 H new ATOM 0 HD23 LEU A 54 -11.876 6.220 1.217 1.00 0.12 H new ATOM 762 N GLY A 55 -14.276 1.769 0.836 1.00 0.09 N ATOM 763 CA GLY A 55 -14.994 1.003 -0.158 1.00 0.10 C ATOM 764 C GLY A 55 -14.317 -0.313 -0.444 1.00 0.10 C ATOM 765 O GLY A 55 -14.762 -1.080 -1.299 1.00 0.15 O ATOM 0 H GLY A 55 -14.103 1.282 1.715 1.00 0.09 H new ATOM 0 HA2 GLY A 55 -16.012 0.821 0.188 1.00 0.10 H new ATOM 0 HA3 GLY A 55 -15.069 1.581 -1.079 1.00 0.10 H new ATOM 769 N ILE A 56 -13.228 -0.568 0.267 1.00 0.09 N ATOM 770 CA ILE A 56 -12.532 -1.835 0.167 1.00 0.09 C ATOM 771 C ILE A 56 -13.435 -2.969 0.637 1.00 0.14 C ATOM 772 O ILE A 56 -14.016 -2.906 1.723 1.00 0.32 O ATOM 773 CB ILE A 56 -11.225 -1.837 0.993 1.00 0.10 C ATOM 774 CG1 ILE A 56 -10.112 -1.030 0.325 1.00 0.11 C ATOM 775 CG2 ILE A 56 -10.763 -3.241 1.269 1.00 0.15 C ATOM 776 CD1 ILE A 56 -10.197 -0.957 -1.179 1.00 0.10 C ATOM 0 H ILE A 56 -12.808 0.092 0.922 1.00 0.09 H new ATOM 0 HA ILE A 56 -12.270 -1.983 -0.881 1.00 0.09 H new ATOM 0 HB ILE A 56 -11.454 -1.350 1.941 1.00 0.10 H new ATOM 0 HG12 ILE A 56 -10.128 -0.016 0.725 1.00 0.11 H new ATOM 0 HG13 ILE A 56 -9.152 -1.466 0.600 1.00 0.11 H new ATOM 0 HG21 ILE A 56 -9.842 -3.213 1.851 1.00 0.15 H new ATOM 0 HG22 ILE A 56 -11.531 -3.773 1.830 1.00 0.15 H new ATOM 0 HG23 ILE A 56 -10.580 -3.756 0.326 1.00 0.15 H new ATOM 0 HD11 ILE A 56 -9.366 -0.365 -1.562 1.00 0.10 H new ATOM 0 HD12 ILE A 56 -10.148 -1.963 -1.595 1.00 0.10 H new ATOM 0 HD13 ILE A 56 -11.139 -0.491 -1.468 1.00 0.10 H new ATOM 788 N ASP A 57 -13.554 -3.990 -0.195 1.00 0.19 N ATOM 789 CA ASP A 57 -14.359 -5.158 0.127 1.00 0.28 C ATOM 790 C ASP A 57 -13.892 -6.339 -0.701 1.00 0.28 C ATOM 791 O ASP A 57 -14.246 -6.443 -1.873 1.00 0.67 O ATOM 792 CB ASP A 57 -15.847 -4.898 -0.138 1.00 0.52 C ATOM 793 CG ASP A 57 -16.731 -6.065 0.279 1.00 1.48 C ATOM 794 OD1 ASP A 57 -17.462 -5.937 1.287 1.00 2.34 O ATOM 795 OD2 ASP A 57 -16.706 -7.119 -0.396 1.00 1.95 O ATOM 0 H ASP A 57 -13.099 -4.034 -1.107 1.00 0.19 H new ATOM 0 HA ASP A 57 -14.236 -5.376 1.188 1.00 0.28 H new ATOM 0 HB2 ASP A 57 -16.157 -4.002 0.401 1.00 0.52 H new ATOM 0 HB3 ASP A 57 -15.993 -4.698 -1.199 1.00 0.52 H new ATOM 800 N SER A 58 -13.063 -7.187 -0.088 1.00 0.23 N ATOM 801 CA SER A 58 -12.577 -8.446 -0.681 1.00 0.26 C ATOM 802 C SER A 58 -11.940 -8.253 -2.065 1.00 0.19 C ATOM 803 O SER A 58 -10.722 -8.211 -2.181 1.00 0.17 O ATOM 804 CB SER A 58 -13.691 -9.505 -0.728 1.00 0.36 C ATOM 805 OG SER A 58 -14.846 -9.046 -1.416 1.00 1.25 O ATOM 0 H SER A 58 -12.701 -7.020 0.851 1.00 0.23 H new ATOM 0 HA SER A 58 -11.785 -8.807 -0.025 1.00 0.26 H new ATOM 0 HB2 SER A 58 -13.314 -10.404 -1.216 1.00 0.36 H new ATOM 0 HB3 SER A 58 -13.965 -9.786 0.289 1.00 0.36 H new ATOM 0 HG SER A 58 -15.394 -8.505 -0.810 1.00 1.25 H new ATOM 811 N LEU A 59 -12.771 -8.139 -3.097 1.00 0.22 N ATOM 812 CA LEU A 59 -12.315 -7.911 -4.470 1.00 0.20 C ATOM 813 C LEU A 59 -11.314 -6.775 -4.543 1.00 0.14 C ATOM 814 O LEU A 59 -10.206 -6.937 -5.043 1.00 0.14 O ATOM 815 CB LEU A 59 -13.504 -7.554 -5.353 1.00 0.23 C ATOM 816 CG LEU A 59 -14.540 -8.655 -5.540 1.00 0.30 C ATOM 817 CD1 LEU A 59 -15.685 -8.137 -6.384 1.00 1.12 C ATOM 818 CD2 LEU A 59 -13.911 -9.882 -6.179 1.00 1.18 C ATOM 0 H LEU A 59 -13.785 -8.202 -3.007 1.00 0.22 H new ATOM 0 HA LEU A 59 -11.837 -8.829 -4.813 1.00 0.20 H new ATOM 0 HB2 LEU A 59 -14.000 -6.682 -4.928 1.00 0.23 H new ATOM 0 HB3 LEU A 59 -13.130 -7.261 -6.334 1.00 0.23 H new ATOM 0 HG LEU A 59 -14.925 -8.949 -4.564 1.00 0.30 H new ATOM 0 HD11 LEU A 59 -16.425 -8.926 -6.517 1.00 1.12 H new ATOM 0 HD12 LEU A 59 -16.148 -7.285 -5.886 1.00 1.12 H new ATOM 0 HD13 LEU A 59 -15.307 -7.826 -7.358 1.00 1.12 H new ATOM 0 HD21 LEU A 59 -14.668 -10.656 -6.303 1.00 1.18 H new ATOM 0 HD22 LEU A 59 -13.501 -9.615 -7.153 1.00 1.18 H new ATOM 0 HD23 LEU A 59 -13.112 -10.256 -5.539 1.00 1.18 H new ATOM 830 N THR A 60 -11.702 -5.629 -4.019 1.00 0.12 N ATOM 831 CA THR A 60 -10.865 -4.449 -4.101 1.00 0.10 C ATOM 832 C THR A 60 -9.817 -4.445 -3.009 1.00 0.09 C ATOM 833 O THR A 60 -8.869 -3.673 -3.052 1.00 0.10 O ATOM 834 CB THR A 60 -11.701 -3.173 -4.047 1.00 0.12 C ATOM 835 OG1 THR A 60 -12.774 -3.335 -3.106 1.00 0.16 O ATOM 836 CG2 THR A 60 -12.243 -2.866 -5.430 1.00 0.16 C ATOM 0 H THR A 60 -12.588 -5.490 -3.534 1.00 0.12 H new ATOM 0 HA THR A 60 -10.353 -4.478 -5.063 1.00 0.10 H new ATOM 0 HB THR A 60 -11.079 -2.339 -3.721 1.00 0.12 H new ATOM 0 HG1 THR A 60 -13.307 -2.513 -3.073 1.00 0.16 H new ATOM 0 HG21 THR A 60 -12.840 -1.955 -5.393 1.00 0.16 H new ATOM 0 HG22 THR A 60 -11.413 -2.728 -6.124 1.00 0.16 H new ATOM 0 HG23 THR A 60 -12.865 -3.694 -5.769 1.00 0.16 H new ATOM 844 N ALA A 61 -9.990 -5.318 -2.031 1.00 0.09 N ATOM 845 CA ALA A 61 -8.958 -5.547 -1.043 1.00 0.09 C ATOM 846 C ALA A 61 -7.862 -6.408 -1.654 1.00 0.09 C ATOM 847 O ALA A 61 -6.682 -6.253 -1.343 1.00 0.12 O ATOM 848 CB ALA A 61 -9.533 -6.201 0.202 1.00 0.10 C ATOM 0 H ALA A 61 -10.834 -5.877 -1.903 1.00 0.09 H new ATOM 0 HA ALA A 61 -8.534 -4.590 -0.740 1.00 0.09 H new ATOM 0 HB1 ALA A 61 -8.737 -6.362 0.929 1.00 0.10 H new ATOM 0 HB2 ALA A 61 -10.294 -5.552 0.635 1.00 0.10 H new ATOM 0 HB3 ALA A 61 -9.981 -7.158 -0.064 1.00 0.10 H new ATOM 854 N LEU A 62 -8.266 -7.318 -2.534 1.00 0.10 N ATOM 855 CA LEU A 62 -7.336 -8.159 -3.250 1.00 0.11 C ATOM 856 C LEU A 62 -6.736 -7.399 -4.425 1.00 0.11 C ATOM 857 O LEU A 62 -5.561 -7.548 -4.730 1.00 0.13 O ATOM 858 CB LEU A 62 -8.052 -9.404 -3.759 1.00 0.14 C ATOM 859 CG LEU A 62 -7.231 -10.701 -3.768 1.00 0.20 C ATOM 860 CD1 LEU A 62 -5.770 -10.445 -4.114 1.00 0.53 C ATOM 861 CD2 LEU A 62 -7.345 -11.398 -2.429 1.00 0.52 C ATOM 0 H LEU A 62 -9.245 -7.487 -2.765 1.00 0.10 H new ATOM 0 HA LEU A 62 -6.535 -8.453 -2.572 1.00 0.11 H new ATOM 0 HB2 LEU A 62 -8.939 -9.564 -3.146 1.00 0.14 H new ATOM 0 HB3 LEU A 62 -8.397 -9.210 -4.774 1.00 0.14 H new ATOM 0 HG LEU A 62 -7.640 -11.348 -4.544 1.00 0.20 H new ATOM 0 HD11 LEU A 62 -5.224 -11.389 -4.109 1.00 0.53 H new ATOM 0 HD12 LEU A 62 -5.704 -9.993 -5.103 1.00 0.53 H new ATOM 0 HD13 LEU A 62 -5.334 -9.770 -3.377 1.00 0.53 H new ATOM 0 HD21 LEU A 62 -6.759 -12.317 -2.446 1.00 0.52 H new ATOM 0 HD22 LEU A 62 -6.969 -10.742 -1.644 1.00 0.52 H new ATOM 0 HD23 LEU A 62 -8.390 -11.638 -2.231 1.00 0.52 H new ATOM 873 N GLU A 63 -7.535 -6.593 -5.103 1.00 0.10 N ATOM 874 CA GLU A 63 -7.041 -5.755 -6.166 1.00 0.11 C ATOM 875 C GLU A 63 -6.122 -4.686 -5.580 1.00 0.10 C ATOM 876 O GLU A 63 -5.131 -4.291 -6.202 1.00 0.12 O ATOM 877 CB GLU A 63 -8.248 -5.157 -6.887 1.00 0.14 C ATOM 878 CG GLU A 63 -7.985 -3.830 -7.534 1.00 0.41 C ATOM 879 CD GLU A 63 -7.119 -3.928 -8.774 1.00 0.59 C ATOM 880 OE1 GLU A 63 -6.006 -3.370 -8.777 1.00 0.72 O ATOM 881 OE2 GLU A 63 -7.552 -4.574 -9.755 1.00 0.83 O ATOM 0 H GLU A 63 -8.536 -6.506 -4.929 1.00 0.10 H new ATOM 0 HA GLU A 63 -6.452 -6.321 -6.887 1.00 0.11 H new ATOM 0 HB2 GLU A 63 -8.586 -5.859 -7.649 1.00 0.14 H new ATOM 0 HB3 GLU A 63 -9.064 -5.045 -6.173 1.00 0.14 H new ATOM 0 HG2 GLU A 63 -8.936 -3.368 -7.799 1.00 0.41 H new ATOM 0 HG3 GLU A 63 -7.501 -3.172 -6.813 1.00 0.41 H new ATOM 888 N LEU A 64 -6.434 -4.248 -4.359 1.00 0.09 N ATOM 889 CA LEU A 64 -5.513 -3.417 -3.605 1.00 0.09 C ATOM 890 C LEU A 64 -4.207 -4.166 -3.480 1.00 0.12 C ATOM 891 O LEU A 64 -3.131 -3.662 -3.795 1.00 0.17 O ATOM 892 CB LEU A 64 -6.051 -3.131 -2.199 1.00 0.12 C ATOM 893 CG LEU A 64 -6.089 -1.662 -1.800 1.00 0.17 C ATOM 894 CD1 LEU A 64 -6.548 -1.519 -0.356 1.00 0.43 C ATOM 895 CD2 LEU A 64 -4.718 -1.046 -1.995 1.00 0.44 C ATOM 0 H LEU A 64 -7.310 -4.456 -3.881 1.00 0.09 H new ATOM 0 HA LEU A 64 -5.383 -2.467 -4.123 1.00 0.09 H new ATOM 0 HB2 LEU A 64 -7.060 -3.536 -2.125 1.00 0.12 H new ATOM 0 HB3 LEU A 64 -5.438 -3.670 -1.477 1.00 0.12 H new ATOM 0 HG LEU A 64 -6.802 -1.135 -2.434 1.00 0.17 H new ATOM 0 HD11 LEU A 64 -6.570 -0.464 -0.084 1.00 0.43 H new ATOM 0 HD12 LEU A 64 -7.546 -1.943 -0.248 1.00 0.43 H new ATOM 0 HD13 LEU A 64 -5.856 -2.048 0.300 1.00 0.43 H new ATOM 0 HD21 LEU A 64 -4.747 0.005 -1.709 1.00 0.44 H new ATOM 0 HD22 LEU A 64 -3.992 -1.571 -1.374 1.00 0.44 H new ATOM 0 HD23 LEU A 64 -4.427 -1.129 -3.042 1.00 0.44 H new ATOM 907 N ARG A 65 -4.362 -5.413 -3.084 1.00 0.12 N ATOM 908 CA ARG A 65 -3.249 -6.316 -2.818 1.00 0.15 C ATOM 909 C ARG A 65 -2.410 -6.496 -4.074 1.00 0.16 C ATOM 910 O ARG A 65 -1.183 -6.385 -4.045 1.00 0.19 O ATOM 911 CB ARG A 65 -3.782 -7.669 -2.307 1.00 0.18 C ATOM 912 CG ARG A 65 -2.712 -8.735 -2.089 1.00 0.33 C ATOM 913 CD ARG A 65 -2.411 -9.514 -3.364 1.00 0.43 C ATOM 914 NE ARG A 65 -1.234 -10.361 -3.222 1.00 0.78 N ATOM 915 CZ ARG A 65 -0.688 -11.060 -4.214 1.00 1.35 C ATOM 916 NH1 ARG A 65 -1.263 -11.085 -5.411 1.00 1.63 N ATOM 917 NH2 ARG A 65 0.423 -11.754 -4.000 1.00 1.72 N ATOM 0 H ARG A 65 -5.277 -5.839 -2.934 1.00 0.12 H new ATOM 0 HA ARG A 65 -2.612 -5.886 -2.045 1.00 0.15 H new ATOM 0 HB2 ARG A 65 -4.309 -7.505 -1.367 1.00 0.18 H new ATOM 0 HB3 ARG A 65 -4.514 -8.049 -3.020 1.00 0.18 H new ATOM 0 HG2 ARG A 65 -1.798 -8.262 -1.729 1.00 0.33 H new ATOM 0 HG3 ARG A 65 -3.041 -9.425 -1.312 1.00 0.33 H new ATOM 0 HD2 ARG A 65 -3.272 -10.130 -3.624 1.00 0.43 H new ATOM 0 HD3 ARG A 65 -2.258 -8.816 -4.187 1.00 0.43 H new ATOM 0 HE ARG A 65 -0.800 -10.422 -2.301 1.00 0.78 H new ATOM 0 HH11 ARG A 65 -2.127 -10.567 -5.573 1.00 1.63 H new ATOM 0 HH12 ARG A 65 -0.841 -11.622 -6.168 1.00 1.63 H new ATOM 0 HH21 ARG A 65 0.856 -11.751 -3.077 1.00 1.72 H new ATOM 0 HH22 ARG A 65 0.843 -12.291 -4.759 1.00 1.72 H new ATOM 931 N ASN A 66 -3.101 -6.775 -5.165 1.00 0.14 N ATOM 932 CA ASN A 66 -2.485 -6.955 -6.467 1.00 0.16 C ATOM 933 C ASN A 66 -1.634 -5.757 -6.858 1.00 0.16 C ATOM 934 O ASN A 66 -0.547 -5.918 -7.410 1.00 0.21 O ATOM 935 CB ASN A 66 -3.566 -7.209 -7.518 1.00 0.20 C ATOM 936 CG ASN A 66 -3.841 -8.679 -7.716 1.00 0.32 C ATOM 937 OD1 ASN A 66 -3.164 -9.352 -8.491 1.00 0.83 O ATOM 938 ND2 ASN A 66 -4.845 -9.184 -7.032 1.00 0.34 N ATOM 0 H ASN A 66 -4.115 -6.884 -5.172 1.00 0.14 H new ATOM 0 HA ASN A 66 -1.823 -7.819 -6.412 1.00 0.16 H new ATOM 0 HB2 ASN A 66 -4.486 -6.707 -7.218 1.00 0.20 H new ATOM 0 HB3 ASN A 66 -3.258 -6.769 -8.466 1.00 0.20 H new ATOM 0 HD21 ASN A 66 -5.087 -10.170 -7.134 1.00 0.34 H new ATOM 0 HD22 ASN A 66 -5.381 -8.590 -6.399 1.00 0.34 H new ATOM 945 N THR A 67 -2.106 -4.557 -6.547 1.00 0.14 N ATOM 946 CA THR A 67 -1.356 -3.359 -6.872 1.00 0.15 C ATOM 947 C THR A 67 -0.181 -3.179 -5.915 1.00 0.16 C ATOM 948 O THR A 67 0.958 -3.004 -6.343 1.00 0.21 O ATOM 949 CB THR A 67 -2.250 -2.110 -6.837 1.00 0.17 C ATOM 950 OG1 THR A 67 -3.322 -2.254 -7.780 1.00 0.22 O ATOM 951 CG2 THR A 67 -1.446 -0.855 -7.156 1.00 0.19 C ATOM 0 H THR A 67 -2.995 -4.391 -6.075 1.00 0.14 H new ATOM 0 HA THR A 67 -0.974 -3.481 -7.886 1.00 0.15 H new ATOM 0 HB THR A 67 -2.660 -2.008 -5.832 1.00 0.17 H new ATOM 0 HG1 THR A 67 -3.985 -2.884 -7.428 1.00 0.22 H new ATOM 0 HG21 THR A 67 -2.102 0.015 -7.125 1.00 0.19 H new ATOM 0 HG22 THR A 67 -0.650 -0.736 -6.421 1.00 0.19 H new ATOM 0 HG23 THR A 67 -1.010 -0.945 -8.151 1.00 0.19 H new ATOM 959 N LEU A 68 -0.466 -3.244 -4.623 1.00 0.17 N ATOM 960 CA LEU A 68 0.553 -3.075 -3.592 1.00 0.20 C ATOM 961 C LEU A 68 1.731 -3.993 -3.832 1.00 0.20 C ATOM 962 O LEU A 68 2.859 -3.542 -4.013 1.00 0.23 O ATOM 963 CB LEU A 68 -0.013 -3.425 -2.225 1.00 0.30 C ATOM 964 CG LEU A 68 -1.297 -2.726 -1.840 1.00 0.79 C ATOM 965 CD1 LEU A 68 -1.938 -3.477 -0.693 1.00 1.38 C ATOM 966 CD2 LEU A 68 -1.027 -1.279 -1.462 1.00 1.40 C ATOM 0 H LEU A 68 -1.403 -3.414 -4.259 1.00 0.17 H new ATOM 0 HA LEU A 68 0.872 -2.033 -3.629 1.00 0.20 H new ATOM 0 HB2 LEU A 68 -0.184 -4.501 -2.189 1.00 0.30 H new ATOM 0 HB3 LEU A 68 0.741 -3.197 -1.472 1.00 0.30 H new ATOM 0 HG LEU A 68 -1.979 -2.719 -2.690 1.00 0.79 H new ATOM 0 HD11 LEU A 68 -2.866 -2.981 -0.407 1.00 1.38 H new ATOM 0 HD12 LEU A 68 -2.154 -4.500 -1.003 1.00 1.38 H new ATOM 0 HD13 LEU A 68 -1.257 -3.492 0.158 1.00 1.38 H new ATOM 0 HD21 LEU A 68 -1.964 -0.794 -1.188 1.00 1.40 H new ATOM 0 HD22 LEU A 68 -0.340 -1.246 -0.616 1.00 1.40 H new ATOM 0 HD23 LEU A 68 -0.583 -0.758 -2.310 1.00 1.40 H new ATOM 978 N THR A 69 1.447 -5.286 -3.824 1.00 0.22 N ATOM 979 CA THR A 69 2.464 -6.308 -3.963 1.00 0.25 C ATOM 980 C THR A 69 3.260 -6.121 -5.256 1.00 0.25 C ATOM 981 O THR A 69 4.446 -6.434 -5.318 1.00 0.33 O ATOM 982 CB THR A 69 1.809 -7.716 -3.908 1.00 0.34 C ATOM 983 OG1 THR A 69 2.278 -8.431 -2.760 1.00 1.01 O ATOM 984 CG2 THR A 69 2.078 -8.532 -5.170 1.00 0.65 C ATOM 0 H THR A 69 0.501 -5.654 -3.720 1.00 0.22 H new ATOM 0 HA THR A 69 3.165 -6.217 -3.133 1.00 0.25 H new ATOM 0 HB THR A 69 0.731 -7.567 -3.838 1.00 0.34 H new ATOM 0 HG1 THR A 69 3.041 -8.992 -3.013 1.00 1.01 H new ATOM 0 HG21 THR A 69 1.599 -9.507 -5.082 1.00 0.65 H new ATOM 0 HG22 THR A 69 1.675 -8.007 -6.036 1.00 0.65 H new ATOM 0 HG23 THR A 69 3.153 -8.665 -5.295 1.00 0.65 H new ATOM 992 N HIS A 70 2.606 -5.578 -6.272 1.00 0.21 N ATOM 993 CA HIS A 70 3.248 -5.345 -7.551 1.00 0.22 C ATOM 994 C HIS A 70 4.213 -4.169 -7.467 1.00 0.21 C ATOM 995 O HIS A 70 5.284 -4.203 -8.056 1.00 0.28 O ATOM 996 CB HIS A 70 2.187 -5.084 -8.629 1.00 0.24 C ATOM 997 CG HIS A 70 2.740 -4.887 -10.009 1.00 0.30 C ATOM 998 ND1 HIS A 70 2.781 -5.886 -10.955 1.00 0.39 N ATOM 999 CD2 HIS A 70 3.264 -3.789 -10.602 1.00 0.34 C ATOM 1000 CE1 HIS A 70 3.308 -5.414 -12.070 1.00 0.45 C ATOM 1001 NE2 HIS A 70 3.609 -4.143 -11.883 1.00 0.41 N ATOM 0 H HIS A 70 1.628 -5.291 -6.232 1.00 0.21 H new ATOM 0 HA HIS A 70 3.818 -6.235 -7.819 1.00 0.22 H new ATOM 0 HB2 HIS A 70 1.491 -5.922 -8.646 1.00 0.24 H new ATOM 0 HB3 HIS A 70 1.614 -4.199 -8.351 1.00 0.24 H new ATOM 0 HD2 HIS A 70 3.388 -2.815 -10.151 1.00 0.34 H new ATOM 0 HE1 HIS A 70 3.466 -5.973 -12.980 1.00 0.45 H new ATOM 0 HE2 HIS A 70 4.029 -3.525 -12.577 1.00 0.41 H new ATOM 1010 N ASN A 71 3.816 -3.131 -6.745 1.00 0.19 N ATOM 1011 CA ASN A 71 4.629 -1.922 -6.628 1.00 0.22 C ATOM 1012 C ASN A 71 5.719 -2.055 -5.580 1.00 0.20 C ATOM 1013 O ASN A 71 6.703 -1.316 -5.603 1.00 0.25 O ATOM 1014 CB ASN A 71 3.758 -0.719 -6.310 1.00 0.32 C ATOM 1015 CG ASN A 71 2.943 -0.282 -7.505 1.00 0.61 C ATOM 1016 OD1 ASN A 71 3.390 0.527 -8.319 1.00 1.44 O ATOM 1017 ND2 ASN A 71 1.750 -0.823 -7.624 1.00 0.22 N ATOM 0 H ASN A 71 2.936 -3.099 -6.230 1.00 0.19 H new ATOM 0 HA ASN A 71 5.114 -1.777 -7.593 1.00 0.22 H new ATOM 0 HB2 ASN A 71 3.090 -0.963 -5.484 1.00 0.32 H new ATOM 0 HB3 ASN A 71 4.387 0.107 -5.978 1.00 0.32 H new ATOM 0 HD21 ASN A 71 1.155 -0.576 -8.415 1.00 0.22 H new ATOM 0 HD22 ASN A 71 1.420 -1.489 -6.926 1.00 0.22 H new ATOM 1024 N THR A 72 5.550 -2.993 -4.663 1.00 0.18 N ATOM 1025 CA THR A 72 6.472 -3.141 -3.562 1.00 0.19 C ATOM 1026 C THR A 72 7.244 -4.431 -3.661 1.00 0.23 C ATOM 1027 O THR A 72 8.176 -4.657 -2.899 1.00 0.25 O ATOM 1028 CB THR A 72 5.719 -3.085 -2.236 1.00 0.19 C ATOM 1029 OG1 THR A 72 4.737 -4.130 -2.200 1.00 0.21 O ATOM 1030 CG2 THR A 72 5.032 -1.735 -2.092 1.00 0.16 C ATOM 0 H THR A 72 4.780 -3.662 -4.664 1.00 0.18 H new ATOM 0 HA THR A 72 7.184 -2.317 -3.609 1.00 0.19 H new ATOM 0 HB THR A 72 6.423 -3.219 -1.415 1.00 0.19 H new ATOM 0 HG1 THR A 72 4.025 -3.932 -2.844 1.00 0.21 H new ATOM 0 HG21 THR A 72 4.495 -1.699 -1.144 1.00 0.16 H new ATOM 0 HG22 THR A 72 5.779 -0.942 -2.116 1.00 0.16 H new ATOM 0 HG23 THR A 72 4.328 -1.595 -2.913 1.00 0.16 H new ATOM 1038 N GLY A 73 6.830 -5.296 -4.573 1.00 0.27 N ATOM 1039 CA GLY A 73 7.634 -6.452 -4.886 1.00 0.35 C ATOM 1040 C GLY A 73 7.435 -7.576 -3.907 1.00 0.39 C ATOM 1041 O GLY A 73 8.101 -8.608 -3.984 1.00 0.46 O ATOM 0 H GLY A 73 5.958 -5.218 -5.097 1.00 0.27 H new ATOM 0 HA2 GLY A 73 7.388 -6.801 -5.889 1.00 0.35 H new ATOM 0 HA3 GLY A 73 8.686 -6.166 -4.897 1.00 0.35 H new ATOM 1045 N LEU A 74 6.519 -7.370 -2.990 1.00 0.39 N ATOM 1046 CA LEU A 74 6.307 -8.294 -1.908 1.00 0.45 C ATOM 1047 C LEU A 74 5.380 -9.419 -2.311 1.00 0.62 C ATOM 1048 O LEU A 74 4.670 -9.339 -3.312 1.00 1.10 O ATOM 1049 CB LEU A 74 5.748 -7.540 -0.710 1.00 0.46 C ATOM 1050 CG LEU A 74 6.384 -7.932 0.608 1.00 0.53 C ATOM 1051 CD1 LEU A 74 7.808 -7.409 0.639 1.00 1.12 C ATOM 1052 CD2 LEU A 74 5.573 -7.401 1.773 1.00 0.94 C ATOM 0 H LEU A 74 5.902 -6.558 -2.976 1.00 0.39 H new ATOM 0 HA LEU A 74 7.263 -8.746 -1.642 1.00 0.45 H new ATOM 0 HB2 LEU A 74 5.889 -6.471 -0.867 1.00 0.46 H new ATOM 0 HB3 LEU A 74 4.674 -7.715 -0.651 1.00 0.46 H new ATOM 0 HG LEU A 74 6.403 -9.018 0.700 1.00 0.53 H new ATOM 0 HD11 LEU A 74 8.277 -7.685 1.584 1.00 1.12 H new ATOM 0 HD12 LEU A 74 8.373 -7.842 -0.186 1.00 1.12 H new ATOM 0 HD13 LEU A 74 7.799 -6.323 0.542 1.00 1.12 H new ATOM 0 HD21 LEU A 74 6.047 -7.694 2.710 1.00 0.94 H new ATOM 0 HD22 LEU A 74 5.523 -6.314 1.716 1.00 0.94 H new ATOM 0 HD23 LEU A 74 4.565 -7.813 1.732 1.00 0.94 H new ATOM 1064 N ASP A 75 5.406 -10.469 -1.520 1.00 0.54 N ATOM 1065 CA ASP A 75 4.599 -11.646 -1.771 1.00 0.72 C ATOM 1066 C ASP A 75 3.630 -11.858 -0.618 1.00 0.78 C ATOM 1067 O ASP A 75 3.742 -12.803 0.162 1.00 0.98 O ATOM 1068 CB ASP A 75 5.511 -12.847 -1.944 1.00 1.04 C ATOM 1069 CG ASP A 75 4.759 -14.137 -2.226 1.00 1.31 C ATOM 1070 OD1 ASP A 75 4.948 -15.120 -1.480 1.00 1.45 O ATOM 1071 OD2 ASP A 75 3.967 -14.172 -3.192 1.00 1.55 O ATOM 0 H ASP A 75 5.987 -10.532 -0.684 1.00 0.54 H new ATOM 0 HA ASP A 75 4.018 -11.514 -2.684 1.00 0.72 H new ATOM 0 HB2 ASP A 75 6.205 -12.653 -2.762 1.00 1.04 H new ATOM 0 HB3 ASP A 75 6.109 -12.973 -1.042 1.00 1.04 H new ATOM 1076 N LEU A 76 2.690 -10.943 -0.506 1.00 0.91 N ATOM 1077 CA LEU A 76 1.717 -10.968 0.572 1.00 1.31 C ATOM 1078 C LEU A 76 0.337 -11.323 0.022 1.00 0.97 C ATOM 1079 O LEU A 76 -0.213 -10.586 -0.793 1.00 0.95 O ATOM 1080 CB LEU A 76 1.684 -9.598 1.265 1.00 1.98 C ATOM 1081 CG LEU A 76 1.439 -9.618 2.780 1.00 2.77 C ATOM 1082 CD1 LEU A 76 0.067 -10.180 3.111 1.00 3.54 C ATOM 1083 CD2 LEU A 76 2.526 -10.415 3.485 1.00 3.31 C ATOM 0 H LEU A 76 2.577 -10.164 -1.155 1.00 0.91 H new ATOM 0 HA LEU A 76 2.003 -11.726 1.301 1.00 1.31 H new ATOM 0 HB2 LEU A 76 2.632 -9.094 1.077 1.00 1.98 H new ATOM 0 HB3 LEU A 76 0.905 -8.995 0.799 1.00 1.98 H new ATOM 0 HG LEU A 76 1.473 -8.589 3.137 1.00 2.77 H new ATOM 0 HD11 LEU A 76 -0.075 -10.180 4.192 1.00 3.54 H new ATOM 0 HD12 LEU A 76 -0.701 -9.563 2.644 1.00 3.54 H new ATOM 0 HD13 LEU A 76 -0.009 -11.200 2.735 1.00 3.54 H new ATOM 0 HD21 LEU A 76 2.336 -10.419 4.558 1.00 3.31 H new ATOM 0 HD22 LEU A 76 2.525 -11.440 3.113 1.00 3.31 H new ATOM 0 HD23 LEU A 76 3.496 -9.959 3.290 1.00 3.31 H new ATOM 1095 N PRO A 77 -0.216 -12.475 0.439 1.00 1.11 N ATOM 1096 CA PRO A 77 -1.564 -12.926 0.035 1.00 1.07 C ATOM 1097 C PRO A 77 -2.681 -12.019 0.599 1.00 0.78 C ATOM 1098 O PRO A 77 -2.386 -10.980 1.190 1.00 0.84 O ATOM 1099 CB PRO A 77 -1.650 -14.348 0.627 1.00 1.63 C ATOM 1100 CG PRO A 77 -0.252 -14.728 0.970 1.00 1.97 C ATOM 1101 CD PRO A 77 0.436 -13.450 1.326 1.00 1.67 C ATOM 0 HA PRO A 77 -1.705 -12.895 -1.045 1.00 1.07 H new ATOM 0 HB2 PRO A 77 -2.288 -14.366 1.510 1.00 1.63 H new ATOM 0 HB3 PRO A 77 -2.080 -15.046 -0.092 1.00 1.63 H new ATOM 0 HG2 PRO A 77 -0.230 -15.430 1.803 1.00 1.97 H new ATOM 0 HG3 PRO A 77 0.239 -15.216 0.128 1.00 1.97 H new ATOM 0 HD2 PRO A 77 0.300 -13.196 2.377 1.00 1.67 H new ATOM 0 HD3 PRO A 77 1.510 -13.505 1.148 1.00 1.67 H new ATOM 1109 N PRO A 78 -3.980 -12.372 0.398 1.00 0.60 N ATOM 1110 CA PRO A 78 -5.127 -11.617 0.954 1.00 0.50 C ATOM 1111 C PRO A 78 -5.059 -11.402 2.471 1.00 0.67 C ATOM 1112 O PRO A 78 -4.048 -11.696 3.113 1.00 1.62 O ATOM 1113 CB PRO A 78 -6.342 -12.492 0.612 1.00 0.60 C ATOM 1114 CG PRO A 78 -5.787 -13.803 0.173 1.00 0.76 C ATOM 1115 CD PRO A 78 -4.450 -13.497 -0.424 1.00 0.75 C ATOM 0 HA PRO A 78 -5.156 -10.611 0.535 1.00 0.50 H new ATOM 0 HB2 PRO A 78 -6.993 -12.613 1.478 1.00 0.60 H new ATOM 0 HB3 PRO A 78 -6.942 -12.037 -0.177 1.00 0.60 H new ATOM 0 HG2 PRO A 78 -5.692 -14.490 1.014 1.00 0.76 H new ATOM 0 HG3 PRO A 78 -6.441 -14.281 -0.556 1.00 0.76 H new ATOM 0 HD2 PRO A 78 -3.775 -14.351 -0.366 1.00 0.75 H new ATOM 0 HD3 PRO A 78 -4.529 -13.225 -1.476 1.00 0.75 H new ATOM 1123 N THR A 79 -6.155 -10.884 3.040 1.00 0.55 N ATOM 1124 CA THR A 79 -6.249 -10.511 4.454 1.00 0.40 C ATOM 1125 C THR A 79 -5.187 -9.493 4.868 1.00 0.33 C ATOM 1126 O THR A 79 -4.919 -9.306 6.053 1.00 0.37 O ATOM 1127 CB THR A 79 -6.253 -11.723 5.424 1.00 0.45 C ATOM 1128 OG1 THR A 79 -5.101 -12.557 5.248 1.00 0.52 O ATOM 1129 CG2 THR A 79 -7.507 -12.556 5.228 1.00 0.53 C ATOM 0 H THR A 79 -7.015 -10.710 2.520 1.00 0.55 H new ATOM 0 HA THR A 79 -7.225 -10.035 4.543 1.00 0.40 H new ATOM 0 HB THR A 79 -6.230 -11.319 6.436 1.00 0.45 H new ATOM 0 HG1 THR A 79 -4.439 -12.088 4.699 1.00 0.52 H new ATOM 0 HG21 THR A 79 -7.493 -13.401 5.916 1.00 0.53 H new ATOM 0 HG22 THR A 79 -8.386 -11.942 5.425 1.00 0.53 H new ATOM 0 HG23 THR A 79 -7.543 -12.923 4.202 1.00 0.53 H new ATOM 1137 N LEU A 80 -4.598 -8.824 3.885 1.00 0.32 N ATOM 1138 CA LEU A 80 -3.666 -7.741 4.153 1.00 0.32 C ATOM 1139 C LEU A 80 -4.423 -6.494 4.588 1.00 0.22 C ATOM 1140 O LEU A 80 -3.975 -5.766 5.468 1.00 0.21 O ATOM 1141 CB LEU A 80 -2.820 -7.451 2.911 1.00 0.43 C ATOM 1142 CG LEU A 80 -1.741 -6.381 3.092 1.00 1.21 C ATOM 1143 CD1 LEU A 80 -0.815 -6.742 4.242 1.00 1.91 C ATOM 1144 CD2 LEU A 80 -0.948 -6.206 1.805 1.00 1.97 C ATOM 0 H LEU A 80 -4.751 -9.014 2.895 1.00 0.32 H new ATOM 0 HA LEU A 80 -2.999 -8.041 4.961 1.00 0.32 H new ATOM 0 HB2 LEU A 80 -2.341 -8.377 2.593 1.00 0.43 H new ATOM 0 HB3 LEU A 80 -3.483 -7.142 2.103 1.00 0.43 H new ATOM 0 HG LEU A 80 -2.230 -5.436 3.330 1.00 1.21 H new ATOM 0 HD11 LEU A 80 -0.055 -5.969 4.354 1.00 1.91 H new ATOM 0 HD12 LEU A 80 -1.392 -6.820 5.163 1.00 1.91 H new ATOM 0 HD13 LEU A 80 -0.333 -7.697 4.035 1.00 1.91 H new ATOM 0 HD21 LEU A 80 -0.184 -5.442 1.949 1.00 1.97 H new ATOM 0 HD22 LEU A 80 -0.471 -7.150 1.540 1.00 1.97 H new ATOM 0 HD23 LEU A 80 -1.620 -5.901 1.002 1.00 1.97 H new ATOM 1156 N ILE A 81 -5.578 -6.265 3.974 1.00 0.18 N ATOM 1157 CA ILE A 81 -6.437 -5.140 4.354 1.00 0.13 C ATOM 1158 C ILE A 81 -7.043 -5.395 5.726 1.00 0.15 C ATOM 1159 O ILE A 81 -7.307 -4.479 6.500 1.00 0.16 O ATOM 1160 CB ILE A 81 -7.574 -4.914 3.328 1.00 0.12 C ATOM 1161 CG1 ILE A 81 -7.012 -4.755 1.932 1.00 0.13 C ATOM 1162 CG2 ILE A 81 -8.377 -3.677 3.652 1.00 0.13 C ATOM 1163 CD1 ILE A 81 -5.828 -3.837 1.878 1.00 0.13 C ATOM 0 H ILE A 81 -5.944 -6.838 3.214 1.00 0.18 H new ATOM 0 HA ILE A 81 -5.816 -4.244 4.377 1.00 0.13 H new ATOM 0 HB ILE A 81 -8.220 -5.790 3.379 1.00 0.12 H new ATOM 0 HG12 ILE A 81 -6.724 -5.734 1.549 1.00 0.13 H new ATOM 0 HG13 ILE A 81 -7.792 -4.372 1.274 1.00 0.13 H new ATOM 0 HG21 ILE A 81 -9.166 -3.551 2.910 1.00 0.13 H new ATOM 0 HG22 ILE A 81 -8.822 -3.781 4.641 1.00 0.13 H new ATOM 0 HG23 ILE A 81 -7.723 -2.805 3.638 1.00 0.13 H new ATOM 0 HD11 ILE A 81 -5.471 -3.764 0.851 1.00 0.13 H new ATOM 0 HD12 ILE A 81 -6.118 -2.848 2.232 1.00 0.13 H new ATOM 0 HD13 ILE A 81 -5.033 -4.231 2.512 1.00 0.13 H new ATOM 1175 N PHE A 82 -7.267 -6.662 6.007 1.00 0.20 N ATOM 1176 CA PHE A 82 -7.799 -7.091 7.280 1.00 0.25 C ATOM 1177 C PHE A 82 -6.754 -6.935 8.385 1.00 0.25 C ATOM 1178 O PHE A 82 -7.085 -6.616 9.527 1.00 0.30 O ATOM 1179 CB PHE A 82 -8.269 -8.540 7.160 1.00 0.32 C ATOM 1180 CG PHE A 82 -9.394 -8.721 6.170 1.00 0.36 C ATOM 1181 CD1 PHE A 82 -10.650 -9.106 6.604 1.00 0.46 C ATOM 1182 CD2 PHE A 82 -9.199 -8.499 4.810 1.00 0.34 C ATOM 1183 CE1 PHE A 82 -11.690 -9.263 5.709 1.00 0.52 C ATOM 1184 CE2 PHE A 82 -10.235 -8.657 3.914 1.00 0.40 C ATOM 1185 CZ PHE A 82 -11.481 -9.041 4.361 1.00 0.49 C ATOM 0 H PHE A 82 -7.084 -7.425 5.355 1.00 0.20 H new ATOM 0 HA PHE A 82 -8.649 -6.464 7.550 1.00 0.25 H new ATOM 0 HB2 PHE A 82 -7.427 -9.165 6.861 1.00 0.32 H new ATOM 0 HB3 PHE A 82 -8.595 -8.891 8.139 1.00 0.32 H new ATOM 0 HD1 PHE A 82 -10.819 -9.286 7.655 1.00 0.46 H new ATOM 0 HD2 PHE A 82 -8.225 -8.200 4.452 1.00 0.34 H new ATOM 0 HE1 PHE A 82 -12.667 -9.559 6.062 1.00 0.52 H new ATOM 0 HE2 PHE A 82 -10.070 -8.480 2.861 1.00 0.40 H new ATOM 0 HZ PHE A 82 -12.292 -9.168 3.659 1.00 0.49 H new ATOM 1195 N ASP A 83 -5.490 -7.145 8.035 1.00 0.23 N ATOM 1196 CA ASP A 83 -4.397 -6.981 8.989 1.00 0.25 C ATOM 1197 C ASP A 83 -3.993 -5.511 9.079 1.00 0.24 C ATOM 1198 O ASP A 83 -3.550 -5.033 10.121 1.00 0.38 O ATOM 1199 CB ASP A 83 -3.193 -7.834 8.575 1.00 0.29 C ATOM 1200 CG ASP A 83 -2.141 -7.937 9.664 1.00 0.34 C ATOM 1201 OD1 ASP A 83 -2.372 -8.661 10.653 1.00 0.48 O ATOM 1202 OD2 ASP A 83 -1.065 -7.319 9.526 1.00 0.47 O ATOM 0 H ASP A 83 -5.196 -7.428 7.100 1.00 0.23 H new ATOM 0 HA ASP A 83 -4.739 -7.314 9.969 1.00 0.25 H new ATOM 0 HB2 ASP A 83 -3.536 -8.835 8.312 1.00 0.29 H new ATOM 0 HB3 ASP A 83 -2.742 -7.406 7.680 1.00 0.29 H new ATOM 1207 N HIS A 84 -4.154 -4.803 7.970 1.00 0.14 N ATOM 1208 CA HIS A 84 -3.823 -3.385 7.890 1.00 0.12 C ATOM 1209 C HIS A 84 -4.966 -2.626 7.231 1.00 0.11 C ATOM 1210 O HIS A 84 -5.025 -2.520 6.008 1.00 0.14 O ATOM 1211 CB HIS A 84 -2.538 -3.191 7.090 1.00 0.14 C ATOM 1212 CG HIS A 84 -1.317 -3.704 7.786 1.00 0.19 C ATOM 1213 ND1 HIS A 84 -0.537 -2.938 8.622 1.00 0.22 N ATOM 1214 CD2 HIS A 84 -0.754 -4.931 7.773 1.00 0.25 C ATOM 1215 CE1 HIS A 84 0.452 -3.670 9.093 1.00 0.27 C ATOM 1216 NE2 HIS A 84 0.345 -4.887 8.595 1.00 0.29 N ATOM 0 H HIS A 84 -4.517 -5.194 7.101 1.00 0.14 H new ATOM 0 HA HIS A 84 -3.671 -2.998 8.898 1.00 0.12 H new ATOM 0 HB2 HIS A 84 -2.638 -3.696 6.129 1.00 0.14 H new ATOM 0 HB3 HIS A 84 -2.407 -2.129 6.880 1.00 0.14 H new ATOM 0 HD2 HIS A 84 -1.104 -5.789 7.218 1.00 0.25 H new ATOM 0 HE1 HIS A 84 1.220 -3.331 9.772 1.00 0.27 H new ATOM 0 HE2 HIS A 84 0.974 -5.666 8.789 1.00 0.29 H new ATOM 1225 N PRO A 85 -5.887 -2.081 8.033 1.00 0.10 N ATOM 1226 CA PRO A 85 -7.151 -1.557 7.533 1.00 0.09 C ATOM 1227 C PRO A 85 -7.121 -0.098 7.082 1.00 0.08 C ATOM 1228 O PRO A 85 -8.166 0.450 6.746 1.00 0.09 O ATOM 1229 CB PRO A 85 -8.057 -1.710 8.748 1.00 0.12 C ATOM 1230 CG PRO A 85 -7.155 -1.457 9.908 1.00 0.14 C ATOM 1231 CD PRO A 85 -5.790 -1.954 9.499 1.00 0.13 C ATOM 0 HA PRO A 85 -7.463 -2.085 6.632 1.00 0.09 H new ATOM 0 HB2 PRO A 85 -8.882 -0.998 8.722 1.00 0.12 H new ATOM 0 HB3 PRO A 85 -8.497 -2.706 8.795 1.00 0.12 H new ATOM 0 HG2 PRO A 85 -7.125 -0.395 10.153 1.00 0.14 H new ATOM 0 HG3 PRO A 85 -7.509 -1.979 10.797 1.00 0.14 H new ATOM 0 HD2 PRO A 85 -5.006 -1.254 9.789 1.00 0.13 H new ATOM 0 HD3 PRO A 85 -5.555 -2.909 9.969 1.00 0.13 H new ATOM 1239 N THR A 86 -5.963 0.548 7.062 1.00 0.07 N ATOM 1240 CA THR A 86 -5.900 1.921 6.585 1.00 0.07 C ATOM 1241 C THR A 86 -4.770 2.077 5.571 1.00 0.07 C ATOM 1242 O THR A 86 -3.831 1.281 5.586 1.00 0.07 O ATOM 1243 CB THR A 86 -5.689 2.925 7.739 1.00 0.08 C ATOM 1244 OG1 THR A 86 -4.412 2.707 8.350 1.00 0.09 O ATOM 1245 CG2 THR A 86 -6.779 2.806 8.794 1.00 0.09 C ATOM 0 H THR A 86 -5.072 0.153 7.364 1.00 0.07 H new ATOM 0 HA THR A 86 -6.858 2.141 6.113 1.00 0.07 H new ATOM 0 HB THR A 86 -5.733 3.928 7.315 1.00 0.08 H new ATOM 0 HG1 THR A 86 -4.285 3.349 9.080 1.00 0.09 H new ATOM 0 HG21 THR A 86 -6.596 3.528 9.589 1.00 0.09 H new ATOM 0 HG22 THR A 86 -7.749 3.005 8.339 1.00 0.09 H new ATOM 0 HG23 THR A 86 -6.774 1.799 9.210 1.00 0.09 H new ATOM 1253 N PRO A 87 -4.840 3.066 4.653 1.00 0.08 N ATOM 1254 CA PRO A 87 -3.737 3.336 3.723 1.00 0.09 C ATOM 1255 C PRO A 87 -2.433 3.589 4.467 1.00 0.09 C ATOM 1256 O PRO A 87 -1.354 3.246 3.985 1.00 0.11 O ATOM 1257 CB PRO A 87 -4.191 4.571 2.946 1.00 0.09 C ATOM 1258 CG PRO A 87 -5.675 4.580 3.082 1.00 0.09 C ATOM 1259 CD PRO A 87 -5.988 3.958 4.418 1.00 0.08 C ATOM 0 HA PRO A 87 -3.532 2.491 3.066 1.00 0.09 H new ATOM 0 HB2 PRO A 87 -3.750 5.480 3.355 1.00 0.09 H new ATOM 0 HB3 PRO A 87 -3.890 4.514 1.900 1.00 0.09 H new ATOM 0 HG2 PRO A 87 -6.063 5.597 3.028 1.00 0.09 H new ATOM 0 HG3 PRO A 87 -6.142 4.017 2.274 1.00 0.09 H new ATOM 0 HD2 PRO A 87 -6.079 4.711 5.201 1.00 0.08 H new ATOM 0 HD3 PRO A 87 -6.928 3.407 4.395 1.00 0.08 H new ATOM 1267 N HIS A 88 -2.549 4.176 5.656 1.00 0.09 N ATOM 1268 CA HIS A 88 -1.419 4.314 6.561 1.00 0.09 C ATOM 1269 C HIS A 88 -0.914 2.932 6.958 1.00 0.08 C ATOM 1270 O HIS A 88 0.263 2.631 6.813 1.00 0.09 O ATOM 1271 CB HIS A 88 -1.850 5.108 7.800 1.00 0.12 C ATOM 1272 CG HIS A 88 -0.758 5.374 8.790 1.00 0.19 C ATOM 1273 ND1 HIS A 88 0.355 6.135 8.505 1.00 0.28 N ATOM 1274 CD2 HIS A 88 -0.621 4.982 10.077 1.00 0.23 C ATOM 1275 CE1 HIS A 88 1.128 6.197 9.572 1.00 0.33 C ATOM 1276 NE2 HIS A 88 0.559 5.506 10.542 1.00 0.30 N ATOM 0 H HIS A 88 -3.422 4.565 6.013 1.00 0.09 H new ATOM 0 HA HIS A 88 -0.611 4.852 6.065 1.00 0.09 H new ATOM 0 HB2 HIS A 88 -2.267 6.062 7.476 1.00 0.12 H new ATOM 0 HB3 HIS A 88 -2.651 4.564 8.302 1.00 0.12 H new ATOM 0 HD2 HIS A 88 -1.313 4.369 10.636 1.00 0.23 H new ATOM 0 HE1 HIS A 88 2.068 6.724 9.640 1.00 0.33 H new ATOM 0 HE2 HIS A 88 0.934 5.382 11.482 1.00 0.30 H new ATOM 1285 N ALA A 89 -1.832 2.096 7.432 1.00 0.09 N ATOM 1286 CA ALA A 89 -1.519 0.735 7.859 1.00 0.10 C ATOM 1287 C ALA A 89 -0.841 -0.080 6.765 1.00 0.09 C ATOM 1288 O ALA A 89 0.235 -0.635 6.983 1.00 0.10 O ATOM 1289 CB ALA A 89 -2.784 0.031 8.304 1.00 0.12 C ATOM 0 H ALA A 89 -2.817 2.343 7.531 1.00 0.09 H new ATOM 0 HA ALA A 89 -0.818 0.814 8.690 1.00 0.10 H new ATOM 0 HB1 ALA A 89 -2.543 -0.984 8.621 1.00 0.12 H new ATOM 0 HB2 ALA A 89 -3.230 0.575 9.137 1.00 0.12 H new ATOM 0 HB3 ALA A 89 -3.491 -0.006 7.475 1.00 0.12 H new ATOM 1295 N LEU A 90 -1.485 -0.192 5.606 1.00 0.10 N ATOM 1296 CA LEU A 90 -0.913 -0.917 4.472 1.00 0.11 C ATOM 1297 C LEU A 90 0.472 -0.405 4.155 1.00 0.11 C ATOM 1298 O LEU A 90 1.392 -1.180 3.884 1.00 0.12 O ATOM 1299 CB LEU A 90 -1.791 -0.748 3.240 1.00 0.13 C ATOM 1300 CG LEU A 90 -2.289 -2.038 2.599 1.00 0.25 C ATOM 1301 CD1 LEU A 90 -2.909 -2.958 3.629 1.00 0.73 C ATOM 1302 CD2 LEU A 90 -3.297 -1.715 1.519 1.00 0.68 C ATOM 0 H LEU A 90 -2.405 0.210 5.426 1.00 0.10 H new ATOM 0 HA LEU A 90 -0.856 -1.971 4.744 1.00 0.11 H new ATOM 0 HB2 LEU A 90 -2.655 -0.143 3.513 1.00 0.13 H new ATOM 0 HB3 LEU A 90 -1.232 -0.185 2.493 1.00 0.13 H new ATOM 0 HG LEU A 90 -1.435 -2.553 2.158 1.00 0.25 H new ATOM 0 HD11 LEU A 90 -3.255 -3.870 3.141 1.00 0.73 H new ATOM 0 HD12 LEU A 90 -2.166 -3.211 4.385 1.00 0.73 H new ATOM 0 HD13 LEU A 90 -3.753 -2.457 4.103 1.00 0.73 H new ATOM 0 HD21 LEU A 90 -3.651 -2.640 1.063 1.00 0.68 H new ATOM 0 HD22 LEU A 90 -4.140 -1.180 1.956 1.00 0.68 H new ATOM 0 HD23 LEU A 90 -2.828 -1.092 0.758 1.00 0.68 H new ATOM 1314 N THR A 91 0.607 0.906 4.196 1.00 0.11 N ATOM 1315 CA THR A 91 1.877 1.540 3.962 1.00 0.12 C ATOM 1316 C THR A 91 2.895 1.086 5.002 1.00 0.12 C ATOM 1317 O THR A 91 4.014 0.702 4.663 1.00 0.13 O ATOM 1318 CB THR A 91 1.734 3.076 3.996 1.00 0.12 C ATOM 1319 OG1 THR A 91 1.075 3.534 2.813 1.00 0.13 O ATOM 1320 CG2 THR A 91 3.079 3.768 4.153 1.00 0.13 C ATOM 0 H THR A 91 -0.158 1.552 4.391 1.00 0.11 H new ATOM 0 HA THR A 91 2.228 1.247 2.973 1.00 0.12 H new ATOM 0 HB THR A 91 1.131 3.333 4.867 1.00 0.12 H new ATOM 0 HG1 THR A 91 0.106 3.533 2.957 1.00 0.13 H new ATOM 0 HG21 THR A 91 2.932 4.848 4.172 1.00 0.13 H new ATOM 0 HG22 THR A 91 3.546 3.448 5.085 1.00 0.13 H new ATOM 0 HG23 THR A 91 3.724 3.504 3.315 1.00 0.13 H new ATOM 1328 N GLN A 92 2.478 1.112 6.263 1.00 0.11 N ATOM 1329 CA GLN A 92 3.308 0.661 7.369 1.00 0.12 C ATOM 1330 C GLN A 92 3.809 -0.757 7.127 1.00 0.13 C ATOM 1331 O GLN A 92 4.952 -1.081 7.431 1.00 0.16 O ATOM 1332 CB GLN A 92 2.514 0.718 8.677 1.00 0.12 C ATOM 1333 CG GLN A 92 2.082 2.116 9.077 1.00 0.16 C ATOM 1334 CD GLN A 92 1.611 2.186 10.515 1.00 0.47 C ATOM 1335 OE1 GLN A 92 0.431 1.987 10.806 1.00 1.42 O ATOM 1336 NE2 GLN A 92 2.530 2.468 11.423 1.00 1.06 N ATOM 0 H GLN A 92 1.556 1.446 6.545 1.00 0.11 H new ATOM 0 HA GLN A 92 4.171 1.323 7.443 1.00 0.12 H new ATOM 0 HB2 GLN A 92 1.629 0.089 8.580 1.00 0.12 H new ATOM 0 HB3 GLN A 92 3.121 0.294 9.477 1.00 0.12 H new ATOM 0 HG2 GLN A 92 2.915 2.805 8.937 1.00 0.16 H new ATOM 0 HG3 GLN A 92 1.279 2.448 8.418 1.00 0.16 H new ATOM 0 HE21 GLN A 92 3.497 2.626 11.138 1.00 1.06 H new ATOM 0 HE22 GLN A 92 2.272 2.528 12.408 1.00 1.06 H new ATOM 1345 N HIS A 93 2.945 -1.590 6.561 1.00 0.14 N ATOM 1346 CA HIS A 93 3.293 -2.970 6.247 1.00 0.17 C ATOM 1347 C HIS A 93 4.472 -3.039 5.276 1.00 0.19 C ATOM 1348 O HIS A 93 5.480 -3.682 5.562 1.00 0.21 O ATOM 1349 CB HIS A 93 2.077 -3.697 5.662 1.00 0.20 C ATOM 1350 CG HIS A 93 2.380 -5.048 5.084 1.00 0.27 C ATOM 1351 ND1 HIS A 93 2.589 -6.172 5.851 1.00 0.31 N ATOM 1352 CD2 HIS A 93 2.506 -5.447 3.795 1.00 0.36 C ATOM 1353 CE1 HIS A 93 2.831 -7.202 5.064 1.00 0.38 C ATOM 1354 NE2 HIS A 93 2.786 -6.791 3.810 1.00 0.41 N ATOM 0 H HIS A 93 1.991 -1.331 6.308 1.00 0.14 H new ATOM 0 HA HIS A 93 3.594 -3.463 7.171 1.00 0.17 H new ATOM 0 HB2 HIS A 93 1.326 -3.810 6.444 1.00 0.20 H new ATOM 0 HB3 HIS A 93 1.636 -3.073 4.884 1.00 0.20 H new ATOM 0 HD1 HIS A 93 2.561 -6.203 6.870 1.00 0.31 H new ATOM 0 HD2 HIS A 93 2.405 -4.824 2.919 1.00 0.36 H new ATOM 0 HE1 HIS A 93 3.032 -8.212 5.390 1.00 0.38 H new ATOM 1363 N LEU A 94 4.347 -2.374 4.138 1.00 0.18 N ATOM 1364 CA LEU A 94 5.364 -2.447 3.098 1.00 0.21 C ATOM 1365 C LEU A 94 6.586 -1.616 3.462 1.00 0.22 C ATOM 1366 O LEU A 94 7.691 -1.928 3.041 1.00 0.31 O ATOM 1367 CB LEU A 94 4.757 -1.991 1.772 1.00 0.19 C ATOM 1368 CG LEU A 94 3.536 -2.807 1.340 1.00 0.21 C ATOM 1369 CD1 LEU A 94 2.733 -2.082 0.282 1.00 0.21 C ATOM 1370 CD2 LEU A 94 3.961 -4.175 0.822 1.00 0.27 C ATOM 0 H LEU A 94 3.552 -1.777 3.910 1.00 0.18 H new ATOM 0 HA LEU A 94 5.701 -3.479 2.999 1.00 0.21 H new ATOM 0 HB2 LEU A 94 4.471 -0.942 1.855 1.00 0.19 H new ATOM 0 HB3 LEU A 94 5.518 -2.053 0.994 1.00 0.19 H new ATOM 0 HG LEU A 94 2.903 -2.939 2.218 1.00 0.21 H new ATOM 0 HD11 LEU A 94 1.873 -2.689 -0.002 1.00 0.21 H new ATOM 0 HD12 LEU A 94 2.388 -1.127 0.678 1.00 0.21 H new ATOM 0 HD13 LEU A 94 3.359 -1.907 -0.593 1.00 0.21 H new ATOM 0 HD21 LEU A 94 3.079 -4.740 0.520 1.00 0.27 H new ATOM 0 HD22 LEU A 94 4.623 -4.050 -0.035 1.00 0.27 H new ATOM 0 HD23 LEU A 94 4.486 -4.715 1.610 1.00 0.27 H new ATOM 1382 N HIS A 95 6.393 -0.608 4.304 1.00 0.18 N ATOM 1383 CA HIS A 95 7.492 0.256 4.736 1.00 0.20 C ATOM 1384 C HIS A 95 8.320 -0.482 5.772 1.00 0.26 C ATOM 1385 O HIS A 95 9.513 -0.232 5.936 1.00 0.39 O ATOM 1386 CB HIS A 95 6.950 1.556 5.344 1.00 0.20 C ATOM 1387 CG HIS A 95 8.007 2.570 5.669 1.00 0.25 C ATOM 1388 ND1 HIS A 95 8.647 2.621 6.884 1.00 0.37 N ATOM 1389 CD2 HIS A 95 8.520 3.587 4.935 1.00 0.26 C ATOM 1390 CE1 HIS A 95 9.501 3.621 6.890 1.00 0.43 C ATOM 1391 NE2 HIS A 95 9.447 4.229 5.721 1.00 0.36 N ATOM 0 H HIS A 95 5.486 -0.366 4.703 1.00 0.18 H new ATOM 0 HA HIS A 95 8.108 0.509 3.873 1.00 0.20 H new ATOM 0 HB2 HIS A 95 6.238 2.000 4.648 1.00 0.20 H new ATOM 0 HB3 HIS A 95 6.400 1.317 6.254 1.00 0.20 H new ATOM 0 HD1 HIS A 95 8.485 1.981 7.662 1.00 0.37 H new ATOM 0 HD2 HIS A 95 8.251 3.845 3.921 1.00 0.26 H new ATOM 0 HE1 HIS A 95 10.140 3.898 7.715 1.00 0.43 H new ATOM 1400 N THR A 96 7.669 -1.411 6.449 1.00 0.22 N ATOM 1401 CA THR A 96 8.296 -2.216 7.454 1.00 0.27 C ATOM 1402 C THR A 96 8.952 -3.425 6.795 1.00 0.32 C ATOM 1403 O THR A 96 10.059 -3.814 7.144 1.00 0.40 O ATOM 1404 CB THR A 96 7.231 -2.649 8.485 1.00 0.35 C ATOM 1405 OG1 THR A 96 7.149 -1.691 9.548 1.00 0.62 O ATOM 1406 CG2 THR A 96 7.506 -4.028 9.036 1.00 0.31 C ATOM 0 H THR A 96 6.681 -1.621 6.307 1.00 0.22 H new ATOM 0 HA THR A 96 9.070 -1.649 7.971 1.00 0.27 H new ATOM 0 HB THR A 96 6.272 -2.691 7.968 1.00 0.35 H new ATOM 0 HG1 THR A 96 6.469 -1.976 10.194 1.00 0.62 H new ATOM 0 HG21 THR A 96 6.733 -4.292 9.757 1.00 0.31 H new ATOM 0 HG22 THR A 96 7.505 -4.752 8.221 1.00 0.31 H new ATOM 0 HG23 THR A 96 8.479 -4.036 9.528 1.00 0.31 H new ATOM 1414 N ARG A 97 8.270 -3.987 5.804 1.00 0.34 N ATOM 1415 CA ARG A 97 8.766 -5.157 5.094 1.00 0.45 C ATOM 1416 C ARG A 97 10.033 -4.869 4.318 1.00 0.57 C ATOM 1417 O ARG A 97 10.757 -5.784 3.946 1.00 0.67 O ATOM 1418 CB ARG A 97 7.686 -5.713 4.184 1.00 0.58 C ATOM 1419 CG ARG A 97 6.712 -6.578 4.945 1.00 1.52 C ATOM 1420 CD ARG A 97 7.374 -7.873 5.391 1.00 2.27 C ATOM 1421 NE ARG A 97 6.458 -8.771 6.086 1.00 3.09 N ATOM 1422 CZ ARG A 97 6.824 -9.942 6.613 1.00 3.77 C ATOM 1423 NH1 ARG A 97 8.101 -10.317 6.589 1.00 3.78 N ATOM 1424 NH2 ARG A 97 5.917 -10.726 7.184 1.00 4.68 N ATOM 0 H ARG A 97 7.367 -3.648 5.473 1.00 0.34 H new ATOM 0 HA ARG A 97 9.023 -5.908 5.841 1.00 0.45 H new ATOM 0 HB2 ARG A 97 7.150 -4.891 3.709 1.00 0.58 H new ATOM 0 HB3 ARG A 97 8.146 -6.296 3.386 1.00 0.58 H new ATOM 0 HG2 ARG A 97 6.340 -6.036 5.815 1.00 1.52 H new ATOM 0 HG3 ARG A 97 5.850 -6.802 4.317 1.00 1.52 H new ATOM 0 HD2 ARG A 97 7.784 -8.384 4.520 1.00 2.27 H new ATOM 0 HD3 ARG A 97 8.212 -7.639 6.047 1.00 2.27 H new ATOM 0 HE ARG A 97 5.482 -8.488 6.174 1.00 3.09 H new ATOM 0 HH11 ARG A 97 8.803 -9.709 6.167 1.00 3.78 H new ATOM 0 HH12 ARG A 97 8.377 -11.212 6.992 1.00 3.78 H new ATOM 0 HH21 ARG A 97 4.940 -10.434 7.220 1.00 4.68 H new ATOM 0 HH22 ARG A 97 6.197 -11.620 7.586 1.00 4.68 H new ATOM 1438 N LEU A 98 10.302 -3.603 4.084 1.00 0.62 N ATOM 1439 CA LEU A 98 11.565 -3.204 3.469 1.00 0.78 C ATOM 1440 C LEU A 98 12.751 -3.613 4.342 1.00 0.92 C ATOM 1441 O LEU A 98 13.790 -4.042 3.844 1.00 1.19 O ATOM 1442 CB LEU A 98 11.607 -1.702 3.212 1.00 0.78 C ATOM 1443 CG LEU A 98 11.253 -1.266 1.783 1.00 0.68 C ATOM 1444 CD1 LEU A 98 11.226 -2.448 0.824 1.00 1.14 C ATOM 1445 CD2 LEU A 98 9.925 -0.560 1.764 1.00 1.00 C ATOM 0 H LEU A 98 9.673 -2.831 4.306 1.00 0.62 H new ATOM 0 HA LEU A 98 11.636 -3.721 2.512 1.00 0.78 H new ATOM 0 HB2 LEU A 98 10.920 -1.213 3.903 1.00 0.78 H new ATOM 0 HB3 LEU A 98 12.607 -1.339 3.447 1.00 0.78 H new ATOM 0 HG LEU A 98 12.031 -0.580 1.448 1.00 0.68 H new ATOM 0 HD11 LEU A 98 10.972 -2.099 -0.177 1.00 1.14 H new ATOM 0 HD12 LEU A 98 12.207 -2.923 0.804 1.00 1.14 H new ATOM 0 HD13 LEU A 98 10.480 -3.170 1.157 1.00 1.14 H new ATOM 0 HD21 LEU A 98 9.688 -0.257 0.744 1.00 1.00 H new ATOM 0 HD22 LEU A 98 9.150 -1.233 2.132 1.00 1.00 H new ATOM 0 HD23 LEU A 98 9.973 0.322 2.402 1.00 1.00 H new ATOM 1457 N THR A 99 12.573 -3.495 5.647 1.00 0.85 N ATOM 1458 CA THR A 99 13.618 -3.816 6.609 1.00 1.08 C ATOM 1459 C THR A 99 13.308 -5.143 7.298 1.00 1.13 C ATOM 1460 O THR A 99 14.055 -5.637 8.142 1.00 1.66 O ATOM 1461 CB THR A 99 13.754 -2.664 7.624 1.00 1.19 C ATOM 1462 OG1 THR A 99 14.607 -3.016 8.723 1.00 1.61 O ATOM 1463 CG2 THR A 99 12.393 -2.219 8.137 1.00 1.07 C ATOM 0 H THR A 99 11.702 -3.175 6.071 1.00 0.85 H new ATOM 0 HA THR A 99 14.572 -3.929 6.094 1.00 1.08 H new ATOM 0 HB THR A 99 14.216 -1.831 7.095 1.00 1.19 H new ATOM 0 HG1 THR A 99 14.590 -3.987 8.852 1.00 1.61 H new ATOM 0 HG21 THR A 99 12.521 -1.406 8.851 1.00 1.07 H new ATOM 0 HG22 THR A 99 11.784 -1.875 7.301 1.00 1.07 H new ATOM 0 HG23 THR A 99 11.897 -3.057 8.627 1.00 1.07 H new ATOM 1471 N GLN A 100 12.202 -5.718 6.881 1.00 0.75 N ATOM 1472 CA GLN A 100 11.734 -7.002 7.390 1.00 0.85 C ATOM 1473 C GLN A 100 11.433 -7.956 6.238 1.00 1.01 C ATOM 1474 O GLN A 100 10.304 -8.426 6.086 1.00 1.19 O ATOM 1475 CB GLN A 100 10.482 -6.796 8.218 1.00 0.77 C ATOM 1476 CG GLN A 100 10.683 -5.860 9.383 1.00 0.81 C ATOM 1477 CD GLN A 100 11.015 -6.563 10.688 1.00 1.52 C ATOM 1478 OE1 GLN A 100 11.724 -6.019 11.532 1.00 2.10 O ATOM 1479 NE2 GLN A 100 10.490 -7.764 10.878 1.00 2.19 N ATOM 0 H GLN A 100 11.592 -5.309 6.173 1.00 0.75 H new ATOM 0 HA GLN A 100 12.517 -7.438 8.011 1.00 0.85 H new ATOM 0 HB2 GLN A 100 9.692 -6.403 7.578 1.00 0.77 H new ATOM 0 HB3 GLN A 100 10.139 -7.761 8.591 1.00 0.77 H new ATOM 0 HG2 GLN A 100 11.486 -5.164 9.142 1.00 0.81 H new ATOM 0 HG3 GLN A 100 9.778 -5.268 9.521 1.00 0.81 H new ATOM 0 HE21 GLN A 100 9.906 -8.185 10.156 1.00 2.19 H new ATOM 0 HE22 GLN A 100 10.670 -8.267 11.747 1.00 2.19 H new ATOM 1488 N SER A 101 12.440 -8.242 5.431 1.00 1.26 N ATOM 1489 CA SER A 101 12.251 -9.068 4.251 1.00 1.48 C ATOM 1490 C SER A 101 13.326 -10.150 4.177 1.00 1.84 C ATOM 1491 O SER A 101 14.015 -10.418 5.161 1.00 2.05 O ATOM 1492 CB SER A 101 12.271 -8.187 3.000 1.00 1.64 C ATOM 1493 OG SER A 101 11.936 -8.922 1.831 1.00 2.32 O ATOM 0 H SER A 101 13.396 -7.915 5.571 1.00 1.26 H new ATOM 0 HA SER A 101 11.283 -9.566 4.312 1.00 1.48 H new ATOM 0 HB2 SER A 101 11.569 -7.363 3.125 1.00 1.64 H new ATOM 0 HB3 SER A 101 13.261 -7.747 2.881 1.00 1.64 H new ATOM 0 HG SER A 101 11.957 -8.327 1.053 1.00 2.32 H new ATOM 1499 N HIS A 102 13.455 -10.772 3.016 1.00 2.10 N ATOM 1500 CA HIS A 102 14.431 -11.829 2.811 1.00 2.55 C ATOM 1501 C HIS A 102 15.635 -11.289 2.051 1.00 2.90 C ATOM 1502 O HIS A 102 15.638 -11.363 0.804 1.00 3.23 O ATOM 1503 CB HIS A 102 13.811 -13.000 2.047 1.00 2.94 C ATOM 1504 CG HIS A 102 12.757 -13.750 2.808 1.00 3.11 C ATOM 1505 ND1 HIS A 102 12.857 -15.091 3.102 1.00 3.76 N ATOM 1506 CD2 HIS A 102 11.565 -13.347 3.313 1.00 3.06 C ATOM 1507 CE1 HIS A 102 11.775 -15.482 3.749 1.00 4.18 C ATOM 1508 NE2 HIS A 102 10.975 -14.443 3.891 1.00 3.79 N ATOM 1509 OXT HIS A 102 16.571 -10.778 2.700 1.00 3.31 O ATOM 0 H HIS A 102 12.890 -10.560 2.194 1.00 2.10 H new ATOM 0 HA HIS A 102 14.757 -12.189 3.787 1.00 2.55 H new ATOM 0 HB2 HIS A 102 13.375 -12.624 1.122 1.00 2.94 H new ATOM 0 HB3 HIS A 102 14.603 -13.695 1.767 1.00 2.94 H new ATOM 0 HD2 HIS A 102 11.156 -12.349 3.269 1.00 3.06 H new ATOM 0 HE1 HIS A 102 11.578 -16.483 4.102 1.00 4.18 H new ATOM 0 HE2 HIS A 102 10.066 -14.453 4.355 1.00 3.79 H new TER 1518 HIS A 102