USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 723 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 111 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 113 ASN : amide:sc= -2.58! C(o=-2.6!,f=-3.1!) USER MOD Set 2.1: A 53 SER OG : rot 180:sc= -0.0419 USER MOD Set 2.2: A 65 THR OG1 : rot -160:sc= -0.583 USER MOD Set 3.1: A 27 GLN : amide:sc= 0.0254 X(o=0.05,f=0.0062) USER MOD Set 3.2: A 32 TYR OH : rot 0:sc= 0.0249 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 8 THR OG1 : rot -143:sc= -6.4! USER MOD Single : A 10 SER OG : rot 65:sc= -0.133 USER MOD Single : A 11 SER OG : rot 45:sc= 0.289 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 86:sc= 1.23 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -160:sc= -0.0114 USER MOD Single : A 36 GLN :FLIP amide:sc= -17.3! C(o=-18!,f=-17!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -5.61! C(o=-5.6!,f=-22!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 100:sc= -4.2! USER MOD Single : A 72 SER OG : rot 170:sc= -0.0401 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0281 K(o=-0.028,f=-1.5!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN :FLIP amide:sc= -7.77! C(o=-9.4!,f=-7.8!) USER MOD ----------------------------------------------------------------- ATOM 11 N ALA A 2 2.959 12.390 -5.491 1.00 0.00 N ATOM 12 CA ALA A 2 3.543 11.396 -4.613 1.00 0.00 C ATOM 13 C ALA A 2 4.885 11.892 -4.093 1.00 0.00 C ATOM 14 O ALA A 2 5.772 12.222 -4.877 1.00 0.00 O ATOM 15 CB ALA A 2 3.708 10.083 -5.371 1.00 0.00 C ATOM 0 HA ALA A 2 2.886 11.227 -3.760 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.147 9.335 -4.711 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.733 9.736 -5.715 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.361 10.238 -6.230 1.00 0.00 H new ATOM 21 N PRO A 3 5.032 11.943 -2.768 1.00 0.00 N ATOM 22 CA PRO A 3 6.235 12.385 -2.097 1.00 0.00 C ATOM 23 C PRO A 3 7.321 11.329 -2.248 1.00 0.00 C ATOM 24 O PRO A 3 7.116 10.315 -2.910 1.00 0.00 O ATOM 25 CB PRO A 3 5.830 12.549 -0.633 1.00 0.00 C ATOM 26 CG PRO A 3 4.726 11.506 -0.470 1.00 0.00 C ATOM 27 CD PRO A 3 4.010 11.562 -1.817 1.00 0.00 C ATOM 0 HA PRO A 3 6.634 13.313 -2.508 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.666 12.363 0.041 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.470 13.556 -0.423 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.132 10.515 -0.268 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.057 11.750 0.355 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.573 10.597 -2.072 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.196 12.286 -1.801 1.00 0.00 H new ATOM 35 N THR A 4 8.481 11.570 -1.632 1.00 0.00 N ATOM 36 CA THR A 4 9.589 10.639 -1.704 1.00 0.00 C ATOM 37 C THR A 4 9.606 9.756 -0.464 1.00 0.00 C ATOM 38 O THR A 4 9.914 10.224 0.630 1.00 0.00 O ATOM 39 CB THR A 4 10.897 11.415 -1.833 1.00 0.00 C ATOM 40 OG1 THR A 4 11.123 11.731 -3.188 1.00 0.00 O ATOM 41 CG2 THR A 4 12.049 10.561 -1.311 1.00 0.00 C ATOM 0 H THR A 4 8.669 12.406 -1.079 1.00 0.00 H new ATOM 0 HA THR A 4 9.473 9.999 -2.578 1.00 0.00 H new ATOM 0 HB THR A 4 10.834 12.334 -1.251 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.962 12.231 -3.272 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.983 11.115 -1.403 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.874 10.315 -0.263 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.113 9.642 -1.893 1.00 0.00 H new ATOM 49 N ALA A 5 9.274 8.475 -0.638 1.00 0.00 N ATOM 50 CA ALA A 5 9.252 7.534 0.463 1.00 0.00 C ATOM 51 C ALA A 5 10.169 6.359 0.156 1.00 0.00 C ATOM 52 O ALA A 5 10.276 5.937 -0.993 1.00 0.00 O ATOM 53 CB ALA A 5 7.821 7.058 0.696 1.00 0.00 C ATOM 0 H ALA A 5 9.017 8.073 -1.539 1.00 0.00 H new ATOM 0 HA ALA A 5 9.611 8.021 1.370 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.803 6.350 1.524 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.188 7.912 0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.448 6.571 -0.205 1.00 0.00 H new ATOM 59 N THR A 6 10.831 5.830 1.187 1.00 0.00 N ATOM 60 CA THR A 6 11.732 4.708 1.018 1.00 0.00 C ATOM 61 C THR A 6 11.149 3.469 1.683 1.00 0.00 C ATOM 62 O THR A 6 11.106 3.381 2.908 1.00 0.00 O ATOM 63 CB THR A 6 13.092 5.054 1.618 1.00 0.00 C ATOM 64 OG1 THR A 6 12.910 5.862 2.759 1.00 0.00 O ATOM 65 CG2 THR A 6 13.926 5.810 0.587 1.00 0.00 C ATOM 0 H THR A 6 10.754 6.168 2.146 1.00 0.00 H new ATOM 0 HA THR A 6 11.860 4.498 -0.044 1.00 0.00 H new ATOM 0 HB THR A 6 13.608 4.137 1.901 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.783 6.083 3.146 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.897 6.057 1.015 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.067 5.186 -0.295 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.410 6.728 0.304 1.00 0.00 H new ATOM 73 N VAL A 7 10.700 2.510 0.870 1.00 0.00 N ATOM 74 CA VAL A 7 10.123 1.283 1.381 1.00 0.00 C ATOM 75 C VAL A 7 11.161 0.170 1.340 1.00 0.00 C ATOM 76 O VAL A 7 12.051 0.180 0.493 1.00 0.00 O ATOM 77 CB VAL A 7 8.899 0.912 0.548 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.793 -0.606 0.447 1.00 0.00 C ATOM 79 CG2 VAL A 7 7.644 1.467 1.215 1.00 0.00 C ATOM 0 H VAL A 7 10.729 2.568 -0.148 1.00 0.00 H new ATOM 0 HA VAL A 7 9.812 1.425 2.416 1.00 0.00 H new ATOM 0 HB VAL A 7 8.997 1.336 -0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.919 -0.871 -0.148 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.690 -1.002 -0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.695 -1.031 1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.769 1.203 0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.546 1.043 2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.720 2.552 1.287 1.00 0.00 H new ATOM 89 N THR A 8 11.044 -0.792 2.258 1.00 0.00 N ATOM 90 CA THR A 8 11.972 -1.903 2.318 1.00 0.00 C ATOM 91 C THR A 8 11.818 -2.775 1.080 1.00 0.00 C ATOM 92 O THR A 8 10.966 -2.511 0.234 1.00 0.00 O ATOM 93 CB THR A 8 11.713 -2.713 3.585 1.00 0.00 C ATOM 94 OG1 THR A 8 12.941 -3.151 4.122 1.00 0.00 O ATOM 95 CG2 THR A 8 10.846 -3.922 3.248 1.00 0.00 C ATOM 0 H THR A 8 10.311 -0.816 2.967 1.00 0.00 H new ATOM 0 HA THR A 8 12.994 -1.525 2.345 1.00 0.00 H new ATOM 0 HB THR A 8 11.198 -2.089 4.316 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.833 -4.051 4.495 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.661 -4.501 4.153 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.896 -3.584 2.833 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.360 -4.546 2.517 1.00 0.00 H new ATOM 103 N PRO A 9 12.645 -3.817 0.977 1.00 0.00 N ATOM 104 CA PRO A 9 12.643 -4.754 -0.126 1.00 0.00 C ATOM 105 C PRO A 9 11.415 -5.648 -0.035 1.00 0.00 C ATOM 106 O PRO A 9 11.272 -6.414 0.916 1.00 0.00 O ATOM 107 CB PRO A 9 13.925 -5.565 0.047 1.00 0.00 C ATOM 108 CG PRO A 9 14.131 -5.554 1.561 1.00 0.00 C ATOM 109 CD PRO A 9 13.658 -4.156 1.953 1.00 0.00 C ATOM 0 HA PRO A 9 12.608 -4.264 -1.099 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.818 -6.579 -0.339 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.765 -5.111 -0.479 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.549 -6.332 2.055 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.175 -5.719 1.829 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.251 -4.146 2.964 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.480 -3.441 1.933 1.00 0.00 H new ATOM 117 N SER A 10 10.526 -5.547 -1.025 1.00 0.00 N ATOM 118 CA SER A 10 9.317 -6.345 -1.050 1.00 0.00 C ATOM 119 C SER A 10 9.312 -7.239 -2.283 1.00 0.00 C ATOM 120 O SER A 10 8.271 -7.436 -2.905 1.00 0.00 O ATOM 121 CB SER A 10 8.100 -5.424 -1.045 1.00 0.00 C ATOM 122 OG SER A 10 7.913 -4.887 -2.336 1.00 0.00 O ATOM 0 H SER A 10 10.629 -4.915 -1.819 1.00 0.00 H new ATOM 0 HA SER A 10 9.279 -6.981 -0.165 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.213 -5.977 -0.737 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.241 -4.621 -0.322 1.00 0.00 H new ATOM 0 HG SER A 10 7.689 -5.608 -2.961 1.00 0.00 H new ATOM 128 N SER A 11 10.481 -7.780 -2.633 1.00 0.00 N ATOM 129 CA SER A 11 10.604 -8.650 -3.786 1.00 0.00 C ATOM 130 C SER A 11 11.056 -10.034 -3.343 1.00 0.00 C ATOM 131 O SER A 11 12.224 -10.233 -3.016 1.00 0.00 O ATOM 132 CB SER A 11 11.599 -8.046 -4.773 1.00 0.00 C ATOM 133 OG SER A 11 12.757 -7.635 -4.081 1.00 0.00 O ATOM 0 H SER A 11 11.353 -7.625 -2.128 1.00 0.00 H new ATOM 0 HA SER A 11 9.636 -8.747 -4.278 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.860 -8.778 -5.537 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.148 -7.197 -5.286 1.00 0.00 H new ATOM 0 HG SER A 11 13.031 -8.338 -3.455 1.00 0.00 H new ATOM 139 N GLY A 12 10.127 -10.993 -3.334 1.00 0.00 N ATOM 140 CA GLY A 12 10.439 -12.350 -2.932 1.00 0.00 C ATOM 141 C GLY A 12 10.107 -12.554 -1.460 1.00 0.00 C ATOM 142 O GLY A 12 10.705 -13.400 -0.798 1.00 0.00 O ATOM 0 H GLY A 12 9.154 -10.846 -3.602 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.874 -13.056 -3.541 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.496 -12.554 -3.105 1.00 0.00 H new ATOM 146 N LEU A 13 9.151 -11.774 -0.949 1.00 0.00 N ATOM 147 CA LEU A 13 8.746 -11.872 0.439 1.00 0.00 C ATOM 148 C LEU A 13 7.489 -12.723 0.551 1.00 0.00 C ATOM 149 O LEU A 13 6.514 -12.492 -0.162 1.00 0.00 O ATOM 150 CB LEU A 13 8.502 -10.472 0.996 1.00 0.00 C ATOM 151 CG LEU A 13 9.546 -9.512 0.433 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.870 -8.445 1.474 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.814 -10.286 0.085 1.00 0.00 C ATOM 0 H LEU A 13 8.647 -11.068 -1.485 1.00 0.00 H new ATOM 0 HA LEU A 13 9.536 -12.348 1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.500 -10.133 0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.556 -10.487 2.085 1.00 0.00 H new ATOM 0 HG LEU A 13 9.154 -9.035 -0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.616 -7.759 1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.964 -7.892 1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.262 -8.921 2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.560 -9.600 -0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.207 -10.764 0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.583 -11.048 -0.659 1.00 0.00 H new ATOM 165 N SER A 14 7.513 -13.710 1.450 1.00 0.00 N ATOM 166 CA SER A 14 6.377 -14.587 1.651 1.00 0.00 C ATOM 167 C SER A 14 5.482 -14.031 2.749 1.00 0.00 C ATOM 168 O SER A 14 5.912 -13.192 3.538 1.00 0.00 O ATOM 169 CB SER A 14 6.873 -15.984 2.013 1.00 0.00 C ATOM 170 OG SER A 14 7.959 -16.327 1.181 1.00 0.00 O ATOM 0 H SER A 14 8.314 -13.915 2.048 1.00 0.00 H new ATOM 0 HA SER A 14 5.794 -14.649 0.732 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.179 -16.013 3.059 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.068 -16.709 1.896 1.00 0.00 H new ATOM 0 HG SER A 14 8.279 -17.223 1.414 1.00 0.00 H new ATOM 176 N ASP A 15 4.234 -14.501 2.799 1.00 0.00 N ATOM 177 CA ASP A 15 3.287 -14.050 3.799 1.00 0.00 C ATOM 178 C ASP A 15 3.955 -14.022 5.166 1.00 0.00 C ATOM 179 O ASP A 15 4.755 -14.898 5.485 1.00 0.00 O ATOM 180 CB ASP A 15 2.076 -14.979 3.807 1.00 0.00 C ATOM 181 CG ASP A 15 2.439 -16.340 4.383 1.00 0.00 C ATOM 182 OD1 ASP A 15 3.621 -16.720 4.240 1.00 0.00 O ATOM 183 OD2 ASP A 15 1.527 -16.975 4.956 1.00 0.00 O ATOM 0 H ASP A 15 3.862 -15.197 2.152 1.00 0.00 H new ATOM 0 HA ASP A 15 2.952 -13.041 3.560 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.274 -14.533 4.395 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.698 -15.099 2.792 1.00 0.00 H new ATOM 188 N GLY A 16 3.625 -13.012 5.975 1.00 0.00 N ATOM 189 CA GLY A 16 4.197 -12.881 7.300 1.00 0.00 C ATOM 190 C GLY A 16 5.261 -11.793 7.310 1.00 0.00 C ATOM 191 O GLY A 16 5.565 -11.228 8.358 1.00 0.00 O ATOM 0 H GLY A 16 2.963 -12.277 5.727 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.414 -12.640 8.019 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.634 -13.830 7.610 1.00 0.00 H new ATOM 195 N THR A 17 5.829 -11.501 6.137 1.00 0.00 N ATOM 196 CA THR A 17 6.854 -10.484 6.021 1.00 0.00 C ATOM 197 C THR A 17 6.221 -9.101 6.073 1.00 0.00 C ATOM 198 O THR A 17 5.074 -8.924 5.670 1.00 0.00 O ATOM 199 CB THR A 17 7.617 -10.679 4.714 1.00 0.00 C ATOM 200 OG1 THR A 17 8.093 -12.005 4.642 1.00 0.00 O ATOM 201 CG2 THR A 17 8.797 -9.712 4.663 1.00 0.00 C ATOM 0 H THR A 17 5.590 -11.960 5.258 1.00 0.00 H new ATOM 0 HA THR A 17 7.553 -10.572 6.853 1.00 0.00 H new ATOM 0 HB THR A 17 6.952 -10.484 3.873 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.395 -12.583 4.269 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.342 -9.852 3.729 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.430 -8.687 4.719 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.463 -9.906 5.504 1.00 0.00 H new ATOM 209 N VAL A 18 6.974 -8.118 6.573 1.00 0.00 N ATOM 210 CA VAL A 18 6.486 -6.757 6.676 1.00 0.00 C ATOM 211 C VAL A 18 7.453 -5.809 5.982 1.00 0.00 C ATOM 212 O VAL A 18 8.639 -5.784 6.304 1.00 0.00 O ATOM 213 CB VAL A 18 6.325 -6.386 8.147 1.00 0.00 C ATOM 214 CG1 VAL A 18 4.918 -6.748 8.614 1.00 0.00 C ATOM 215 CG2 VAL A 18 7.350 -7.151 8.980 1.00 0.00 C ATOM 0 H VAL A 18 7.927 -8.249 6.912 1.00 0.00 H new ATOM 0 HA VAL A 18 5.515 -6.676 6.187 1.00 0.00 H new ATOM 0 HB VAL A 18 6.483 -5.315 8.270 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.804 -6.483 9.665 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.186 -6.201 8.020 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.758 -7.819 8.491 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.235 -6.886 10.031 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.193 -8.222 8.856 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.355 -6.891 8.648 1.00 0.00 H new ATOM 225 N VAL A 19 6.943 -5.028 5.027 1.00 0.00 N ATOM 226 CA VAL A 19 7.762 -4.084 4.294 1.00 0.00 C ATOM 227 C VAL A 19 7.645 -2.703 4.924 1.00 0.00 C ATOM 228 O VAL A 19 6.545 -2.250 5.231 1.00 0.00 O ATOM 229 CB VAL A 19 7.317 -4.052 2.834 1.00 0.00 C ATOM 230 CG1 VAL A 19 7.657 -5.382 2.169 1.00 0.00 C ATOM 231 CG2 VAL A 19 5.810 -3.820 2.768 1.00 0.00 C ATOM 0 H VAL A 19 5.962 -5.038 4.749 1.00 0.00 H new ATOM 0 HA VAL A 19 8.806 -4.393 4.335 1.00 0.00 H new ATOM 0 HB VAL A 19 7.833 -3.245 2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.339 -5.359 1.127 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.733 -5.548 2.217 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.142 -6.190 2.688 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.491 -3.797 1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.294 -4.628 3.288 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.567 -2.870 3.243 1.00 0.00 H new ATOM 241 N LYS A 20 8.785 -2.035 5.117 1.00 0.00 N ATOM 242 CA LYS A 20 8.803 -0.712 5.708 1.00 0.00 C ATOM 243 C LYS A 20 8.423 0.328 4.663 1.00 0.00 C ATOM 244 O LYS A 20 8.608 0.107 3.469 1.00 0.00 O ATOM 245 CB LYS A 20 10.191 -0.427 6.274 1.00 0.00 C ATOM 246 CG LYS A 20 10.063 0.059 7.714 1.00 0.00 C ATOM 247 CD LYS A 20 10.333 1.560 7.772 1.00 0.00 C ATOM 248 CE LYS A 20 11.681 1.809 8.442 1.00 0.00 C ATOM 249 NZ LYS A 20 12.541 2.654 7.599 1.00 0.00 N ATOM 0 H LYS A 20 9.706 -2.397 4.869 1.00 0.00 H new ATOM 0 HA LYS A 20 8.077 -0.664 6.519 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.803 -1.328 6.236 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.695 0.326 5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.064 -0.156 8.094 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.768 -0.473 8.352 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.332 1.980 6.766 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.541 2.062 8.327 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.528 2.290 9.408 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.177 0.857 8.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.452 2.808 8.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.704 2.182 6.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.076 3.570 7.436 1.00 0.00 H new ATOM 263 N VAL A 21 7.890 1.465 5.117 1.00 0.00 N ATOM 264 CA VAL A 21 7.486 2.531 4.223 1.00 0.00 C ATOM 265 C VAL A 21 7.837 3.879 4.838 1.00 0.00 C ATOM 266 O VAL A 21 7.146 4.350 5.739 1.00 0.00 O ATOM 267 CB VAL A 21 5.987 2.431 3.957 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.220 2.989 5.152 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.638 3.236 2.708 1.00 0.00 C ATOM 0 H VAL A 21 7.731 1.663 6.105 1.00 0.00 H new ATOM 0 HA VAL A 21 8.016 2.437 3.275 1.00 0.00 H new ATOM 0 HB VAL A 21 5.713 1.387 3.805 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.149 2.918 4.962 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.469 2.415 6.045 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.493 4.033 5.304 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.567 3.165 2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.911 4.280 2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.186 2.838 1.854 1.00 0.00 H new ATOM 279 N ALA A 22 8.913 4.498 4.349 1.00 0.00 N ATOM 280 CA ALA A 22 9.349 5.785 4.853 1.00 0.00 C ATOM 281 C ALA A 22 9.095 6.861 3.806 1.00 0.00 C ATOM 282 O ALA A 22 9.605 6.777 2.691 1.00 0.00 O ATOM 283 CB ALA A 22 10.831 5.716 5.208 1.00 0.00 C ATOM 0 H ALA A 22 9.495 4.120 3.601 1.00 0.00 H new ATOM 0 HA ALA A 22 8.785 6.038 5.751 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.160 6.684 5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.987 4.955 5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.407 5.460 4.318 1.00 0.00 H new ATOM 289 N GLY A 23 8.303 7.874 4.167 1.00 0.00 N ATOM 290 CA GLY A 23 7.989 8.956 3.255 1.00 0.00 C ATOM 291 C GLY A 23 8.827 10.183 3.585 1.00 0.00 C ATOM 292 O GLY A 23 9.030 10.503 4.754 1.00 0.00 O ATOM 0 H GLY A 23 7.871 7.960 5.087 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.179 8.643 2.228 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.929 9.202 3.322 1.00 0.00 H new ATOM 296 N ALA A 24 9.313 10.871 2.549 1.00 0.00 N ATOM 297 CA ALA A 24 10.125 12.057 2.732 1.00 0.00 C ATOM 298 C ALA A 24 9.651 13.157 1.793 1.00 0.00 C ATOM 299 O ALA A 24 9.541 12.941 0.588 1.00 0.00 O ATOM 300 CB ALA A 24 11.589 11.715 2.470 1.00 0.00 C ATOM 0 H ALA A 24 9.152 10.618 1.574 1.00 0.00 H new ATOM 0 HA ALA A 24 10.027 12.415 3.757 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.201 12.606 2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.912 10.942 3.167 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.701 11.352 1.448 1.00 0.00 H new ATOM 306 N GLY A 25 9.370 14.339 2.347 1.00 0.00 N ATOM 307 CA GLY A 25 8.910 15.460 1.553 1.00 0.00 C ATOM 308 C GLY A 25 7.389 15.497 1.524 1.00 0.00 C ATOM 309 O GLY A 25 6.796 16.051 0.601 1.00 0.00 O ATOM 0 H GLY A 25 9.456 14.536 3.344 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.295 16.391 1.968 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.298 15.379 0.538 1.00 0.00 H new ATOM 313 N LEU A 26 6.757 14.905 2.541 1.00 0.00 N ATOM 314 CA LEU A 26 5.310 14.873 2.628 1.00 0.00 C ATOM 315 C LEU A 26 4.813 16.077 3.414 1.00 0.00 C ATOM 316 O LEU A 26 5.569 17.013 3.665 1.00 0.00 O ATOM 317 CB LEU A 26 4.871 13.573 3.295 1.00 0.00 C ATOM 318 CG LEU A 26 5.962 12.519 3.124 1.00 0.00 C ATOM 319 CD1 LEU A 26 6.775 12.417 4.411 1.00 0.00 C ATOM 320 CD2 LEU A 26 5.321 11.169 2.818 1.00 0.00 C ATOM 0 H LEU A 26 7.235 14.442 3.314 1.00 0.00 H new ATOM 0 HA LEU A 26 4.881 14.916 1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.677 13.743 4.354 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.939 13.222 2.853 1.00 0.00 H new ATOM 0 HG LEU A 26 6.618 12.804 2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.554 11.665 4.290 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.233 13.382 4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.120 12.132 5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.099 10.416 2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.665 10.883 3.640 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.740 11.242 1.899 1.00 0.00 H new ATOM 332 N GLN A 27 3.536 16.052 3.804 1.00 0.00 N ATOM 333 CA GLN A 27 2.946 17.139 4.558 1.00 0.00 C ATOM 334 C GLN A 27 3.230 16.953 6.042 1.00 0.00 C ATOM 335 O GLN A 27 2.918 15.908 6.609 1.00 0.00 O ATOM 336 CB GLN A 27 1.443 17.180 4.296 1.00 0.00 C ATOM 337 CG GLN A 27 1.185 17.724 2.893 1.00 0.00 C ATOM 338 CD GLN A 27 -0.290 17.620 2.534 1.00 0.00 C ATOM 339 OE1 GLN A 27 -0.980 18.633 2.438 1.00 0.00 O ATOM 340 NE2 GLN A 27 -0.773 16.391 2.335 1.00 0.00 N ATOM 0 H GLN A 27 2.896 15.283 3.604 1.00 0.00 H new ATOM 0 HA GLN A 27 3.384 18.086 4.242 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.019 16.181 4.394 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.951 17.809 5.038 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.505 18.765 2.837 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.780 17.169 2.168 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.160 15.581 2.426 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.755 16.262 2.092 1.00 0.00 H new ATOM 349 N ALA A 28 3.822 17.971 6.670 1.00 0.00 N ATOM 350 CA ALA A 28 4.145 17.914 8.081 1.00 0.00 C ATOM 351 C ALA A 28 2.871 18.029 8.906 1.00 0.00 C ATOM 352 O ALA A 28 2.058 18.921 8.676 1.00 0.00 O ATOM 353 CB ALA A 28 5.115 19.041 8.426 1.00 0.00 C ATOM 0 H ALA A 28 4.085 18.845 6.214 1.00 0.00 H new ATOM 0 HA ALA A 28 4.620 16.960 8.311 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.359 18.999 9.488 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.027 18.928 7.840 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.653 20.001 8.198 1.00 0.00 H new ATOM 359 N GLY A 29 2.697 17.121 9.870 1.00 0.00 N ATOM 360 CA GLY A 29 1.523 17.129 10.719 1.00 0.00 C ATOM 361 C GLY A 29 0.318 16.592 9.959 1.00 0.00 C ATOM 362 O GLY A 29 -0.807 16.654 10.449 1.00 0.00 O ATOM 0 H GLY A 29 3.360 16.374 10.075 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.703 16.521 11.606 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.322 18.143 11.064 1.00 0.00 H new ATOM 366 N THR A 30 0.557 16.062 8.757 1.00 0.00 N ATOM 367 CA THR A 30 -0.509 15.518 7.940 1.00 0.00 C ATOM 368 C THR A 30 -0.610 14.015 8.153 1.00 0.00 C ATOM 369 O THR A 30 0.396 13.311 8.115 1.00 0.00 O ATOM 370 CB THR A 30 -0.239 15.840 6.473 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.157 16.812 6.028 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.395 14.572 5.637 1.00 0.00 C ATOM 0 H THR A 30 1.484 16.002 8.335 1.00 0.00 H new ATOM 0 HA THR A 30 -1.459 15.969 8.229 1.00 0.00 H new ATOM 0 HB THR A 30 0.776 16.223 6.366 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.205 16.792 5.049 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.202 14.801 4.589 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.315 13.820 5.981 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.410 14.188 5.744 1.00 0.00 H new ATOM 380 N ALA A 31 -1.831 13.524 8.376 1.00 0.00 N ATOM 381 CA ALA A 31 -2.059 12.110 8.595 1.00 0.00 C ATOM 382 C ALA A 31 -2.066 11.377 7.261 1.00 0.00 C ATOM 383 O ALA A 31 -2.428 11.952 6.236 1.00 0.00 O ATOM 384 CB ALA A 31 -3.384 11.915 9.326 1.00 0.00 C ATOM 0 H ALA A 31 -2.675 14.095 8.408 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.258 11.700 9.209 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.556 10.851 9.491 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.349 12.430 10.286 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.195 12.324 8.724 1.00 0.00 H new ATOM 390 N TYR A 32 -1.664 10.104 7.274 1.00 0.00 N ATOM 391 CA TYR A 32 -1.625 9.303 6.067 1.00 0.00 C ATOM 392 C TYR A 32 -2.155 7.907 6.356 1.00 0.00 C ATOM 393 O TYR A 32 -2.005 7.401 7.466 1.00 0.00 O ATOM 394 CB TYR A 32 -0.192 9.240 5.546 1.00 0.00 C ATOM 395 CG TYR A 32 0.217 10.460 4.755 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.393 10.733 3.525 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.205 11.318 5.252 1.00 0.00 C ATOM 398 CE1 TYR A 32 -0.014 11.864 2.791 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.584 12.449 4.519 1.00 0.00 C ATOM 400 CZ TYR A 32 0.974 12.722 3.288 1.00 0.00 C ATOM 401 OH TYR A 32 1.344 13.823 2.574 1.00 0.00 O ATOM 0 H TYR A 32 -1.362 9.612 8.115 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.256 9.758 5.304 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.488 9.119 6.390 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.081 8.356 4.918 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.156 10.071 3.142 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.675 11.107 6.201 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.484 12.074 1.842 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.346 13.111 4.903 1.00 0.00 H new ATOM 0 HH TYR A 32 0.825 13.864 1.744 1.00 0.00 H new ATOM 411 N ASP A 33 -2.778 7.283 5.354 1.00 0.00 N ATOM 412 CA ASP A 33 -3.328 5.951 5.506 1.00 0.00 C ATOM 413 C ASP A 33 -2.565 4.975 4.621 1.00 0.00 C ATOM 414 O ASP A 33 -2.586 5.097 3.398 1.00 0.00 O ATOM 415 CB ASP A 33 -4.809 5.968 5.141 1.00 0.00 C ATOM 416 CG ASP A 33 -5.663 6.316 6.351 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.780 5.439 7.235 1.00 0.00 O ATOM 418 OD2 ASP A 33 -6.184 7.452 6.371 1.00 0.00 O ATOM 0 H ASP A 33 -2.910 7.688 4.427 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.227 5.627 6.542 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.984 6.694 4.347 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.103 4.993 4.752 1.00 0.00 H new ATOM 423 N VAL A 34 -1.889 4.005 5.242 1.00 0.00 N ATOM 424 CA VAL A 34 -1.125 3.016 4.510 1.00 0.00 C ATOM 425 C VAL A 34 -1.901 1.709 4.447 1.00 0.00 C ATOM 426 O VAL A 34 -2.617 1.364 5.384 1.00 0.00 O ATOM 427 CB VAL A 34 0.225 2.811 5.192 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.298 2.572 4.134 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.579 4.054 6.003 1.00 0.00 C ATOM 0 H VAL A 34 -1.861 3.891 6.255 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.954 3.363 3.491 1.00 0.00 H new ATOM 0 HB VAL A 34 0.170 1.948 5.855 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.262 2.426 4.620 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.046 1.684 3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.354 3.435 3.471 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.543 3.908 6.490 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.634 4.917 5.340 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.187 4.226 6.759 1.00 0.00 H new ATOM 439 N GLY A 35 -1.759 0.980 3.337 1.00 0.00 N ATOM 440 CA GLY A 35 -2.449 -0.283 3.163 1.00 0.00 C ATOM 441 C GLY A 35 -1.881 -1.034 1.967 1.00 0.00 C ATOM 442 O GLY A 35 -1.103 -0.478 1.194 1.00 0.00 O ATOM 0 H GLY A 35 -1.170 1.250 2.549 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.346 -0.888 4.064 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.515 -0.106 3.018 1.00 0.00 H new ATOM 446 N GLN A 36 -2.271 -2.302 1.816 1.00 0.00 N ATOM 447 CA GLN A 36 -1.799 -3.121 0.718 1.00 0.00 C ATOM 448 C GLN A 36 -2.943 -3.405 -0.244 1.00 0.00 C ATOM 449 O GLN A 36 -3.955 -3.984 0.145 1.00 0.00 O ATOM 450 CB GLN A 36 -1.220 -4.421 1.269 1.00 0.00 C ATOM 451 CG GLN A 36 -1.136 -5.456 0.150 1.00 0.00 C ATOM 452 CD GLN A 36 -0.723 -6.815 0.697 1.00 0.00 C ATOM 453 OE1 GLN A 36 0.493 -7.251 0.359 1.00 0.00 O flip ATOM 454 NE2 GLN A 36 -1.490 -7.457 1.411 1.00 0.00 N flip ATOM 0 H GLN A 36 -2.915 -2.777 2.448 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.017 -2.591 0.173 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.230 -4.242 1.688 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.846 -4.796 2.079 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.102 -5.538 -0.348 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.417 -5.128 -0.601 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -2.409 -7.080 1.641 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.207 -8.367 1.774 1.00 0.00 H new ATOM 463 N CYS A 37 -2.781 -2.996 -1.504 1.00 0.00 N ATOM 464 CA CYS A 37 -3.797 -3.208 -2.515 1.00 0.00 C ATOM 465 C CYS A 37 -3.313 -4.240 -3.524 1.00 0.00 C ATOM 466 O CYS A 37 -2.120 -4.521 -3.602 1.00 0.00 O ATOM 467 CB CYS A 37 -4.112 -1.883 -3.205 1.00 0.00 C ATOM 468 SG CYS A 37 -5.624 -1.086 -2.610 1.00 0.00 S ATOM 0 H CYS A 37 -1.948 -2.514 -1.841 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.707 -3.584 -2.048 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.273 -1.202 -3.061 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.202 -2.056 -4.277 1.00 0.00 H new ATOM 473 N ALA A 38 -4.244 -4.804 -4.297 1.00 0.00 N ATOM 474 CA ALA A 38 -3.909 -5.800 -5.294 1.00 0.00 C ATOM 475 C ALA A 38 -4.907 -5.738 -6.441 1.00 0.00 C ATOM 476 O ALA A 38 -6.113 -5.833 -6.223 1.00 0.00 O ATOM 477 CB ALA A 38 -3.912 -7.184 -4.649 1.00 0.00 C ATOM 0 H ALA A 38 -5.238 -4.581 -4.244 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.914 -5.601 -5.693 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.660 -7.935 -5.398 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.177 -7.212 -3.845 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.902 -7.394 -4.243 1.00 0.00 H new ATOM 483 N TRP A 39 -4.403 -5.577 -7.667 1.00 0.00 N ATOM 484 CA TRP A 39 -5.255 -5.504 -8.837 1.00 0.00 C ATOM 485 C TRP A 39 -5.971 -6.832 -9.039 1.00 0.00 C ATOM 486 O TRP A 39 -5.334 -7.880 -9.109 1.00 0.00 O ATOM 487 CB TRP A 39 -4.410 -5.154 -10.058 1.00 0.00 C ATOM 488 CG TRP A 39 -4.879 -5.760 -11.342 1.00 0.00 C ATOM 489 CD1 TRP A 39 -6.169 -5.969 -11.682 1.00 0.00 C ATOM 490 CD2 TRP A 39 -4.087 -6.243 -12.470 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.230 -6.544 -12.933 1.00 0.00 N ATOM 492 CE2 TRP A 39 -4.972 -6.736 -13.466 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.711 -6.316 -12.753 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.520 -7.271 -14.676 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.247 -6.850 -13.963 1.00 0.00 C ATOM 496 CH2 TRP A 39 -3.146 -7.328 -14.925 1.00 0.00 C ATOM 0 H TRP A 39 -3.406 -5.495 -7.866 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.007 -4.728 -8.696 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.391 -4.070 -10.170 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.384 -5.474 -9.876 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.022 -5.723 -11.068 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.098 -6.796 -13.406 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -2.000 -5.954 -12.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.224 -7.636 -15.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.185 -6.893 -14.156 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.779 -7.738 -15.854 1.00 0.00 H new ATOM 507 N VAL A 40 -7.302 -6.784 -9.133 1.00 0.00 N ATOM 508 CA VAL A 40 -8.099 -7.979 -9.327 1.00 0.00 C ATOM 509 C VAL A 40 -8.724 -7.962 -10.714 1.00 0.00 C ATOM 510 O VAL A 40 -8.861 -9.006 -11.348 1.00 0.00 O ATOM 511 CB VAL A 40 -9.176 -8.051 -8.249 1.00 0.00 C ATOM 512 CG1 VAL A 40 -8.565 -8.577 -6.953 1.00 0.00 C ATOM 513 CG2 VAL A 40 -9.752 -6.658 -8.011 1.00 0.00 C ATOM 0 H VAL A 40 -7.845 -5.922 -9.077 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.464 -8.862 -9.247 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.971 -8.722 -8.574 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.334 -8.628 -6.183 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.154 -9.572 -7.122 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.770 -7.906 -6.627 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.522 -6.709 -7.241 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.957 -5.986 -7.686 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.189 -6.282 -8.936 1.00 0.00 H new ATOM 523 N ASP A 41 -9.103 -6.772 -11.186 1.00 0.00 N ATOM 524 CA ASP A 41 -9.711 -6.626 -12.493 1.00 0.00 C ATOM 525 C ASP A 41 -9.216 -5.346 -13.151 1.00 0.00 C ATOM 526 O ASP A 41 -8.396 -4.630 -12.581 1.00 0.00 O ATOM 527 CB ASP A 41 -11.230 -6.607 -12.347 1.00 0.00 C ATOM 528 CG ASP A 41 -11.894 -7.388 -13.473 1.00 0.00 C ATOM 529 OD1 ASP A 41 -12.041 -8.617 -13.301 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.242 -6.740 -14.484 1.00 0.00 O ATOM 0 H ASP A 41 -8.995 -5.897 -10.673 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.431 -7.468 -13.126 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.512 -7.036 -11.386 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.587 -5.577 -12.354 1.00 0.00 H new ATOM 535 N THR A 42 -9.715 -5.059 -14.356 1.00 0.00 N ATOM 536 CA THR A 42 -9.319 -3.868 -15.079 1.00 0.00 C ATOM 537 C THR A 42 -10.025 -2.650 -14.499 1.00 0.00 C ATOM 538 O THR A 42 -11.239 -2.514 -14.626 1.00 0.00 O ATOM 539 CB THR A 42 -9.658 -4.036 -16.558 1.00 0.00 C ATOM 540 OG1 THR A 42 -8.918 -5.111 -17.090 1.00 0.00 O ATOM 541 CG2 THR A 42 -9.307 -2.755 -17.309 1.00 0.00 C ATOM 0 H THR A 42 -10.395 -5.642 -14.844 1.00 0.00 H new ATOM 0 HA THR A 42 -8.244 -3.720 -14.980 1.00 0.00 H new ATOM 0 HB THR A 42 -10.723 -4.240 -16.666 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.136 -5.221 -18.039 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.549 -2.874 -18.365 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.879 -1.924 -16.897 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.242 -2.551 -17.202 1.00 0.00 H new ATOM 549 N GLY A 43 -9.259 -1.762 -13.861 1.00 0.00 N ATOM 550 CA GLY A 43 -9.817 -0.563 -13.268 1.00 0.00 C ATOM 551 C GLY A 43 -10.465 -0.890 -11.930 1.00 0.00 C ATOM 552 O GLY A 43 -11.164 -0.057 -11.356 1.00 0.00 O ATOM 0 H GLY A 43 -8.250 -1.859 -13.746 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.033 0.181 -13.128 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.555 -0.126 -13.940 1.00 0.00 H new ATOM 556 N VAL A 44 -10.233 -2.108 -11.435 1.00 0.00 N ATOM 557 CA VAL A 44 -10.794 -2.539 -10.170 1.00 0.00 C ATOM 558 C VAL A 44 -9.692 -3.102 -9.283 1.00 0.00 C ATOM 559 O VAL A 44 -9.096 -4.126 -9.606 1.00 0.00 O ATOM 560 CB VAL A 44 -11.873 -3.588 -10.424 1.00 0.00 C ATOM 561 CG1 VAL A 44 -12.311 -3.524 -11.885 1.00 0.00 C ATOM 562 CG2 VAL A 44 -11.314 -4.976 -10.121 1.00 0.00 C ATOM 0 H VAL A 44 -9.657 -2.810 -11.900 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.246 -1.689 -9.659 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.730 -3.392 -9.779 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.082 -4.273 -12.067 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -12.710 -2.533 -12.102 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.455 -3.720 -12.530 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.084 -5.726 -10.302 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.458 -5.172 -10.766 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.001 -5.022 -9.078 1.00 0.00 H new ATOM 572 N LEU A 45 -9.424 -2.428 -8.162 1.00 0.00 N ATOM 573 CA LEU A 45 -8.398 -2.863 -7.236 1.00 0.00 C ATOM 574 C LEU A 45 -9.043 -3.417 -5.973 1.00 0.00 C ATOM 575 O LEU A 45 -10.218 -3.168 -5.713 1.00 0.00 O ATOM 576 CB LEU A 45 -7.482 -1.689 -6.904 1.00 0.00 C ATOM 577 CG LEU A 45 -6.161 -1.848 -7.651 1.00 0.00 C ATOM 578 CD1 LEU A 45 -5.563 -0.471 -7.926 1.00 0.00 C ATOM 579 CD2 LEU A 45 -5.191 -2.664 -6.801 1.00 0.00 C ATOM 0 H LEU A 45 -9.910 -1.577 -7.881 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.803 -3.654 -7.693 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.960 -0.750 -7.184 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.302 -1.647 -5.830 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.337 -2.362 -8.596 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.619 -0.584 -8.460 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.256 0.112 -8.533 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.386 0.044 -6.982 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.247 -2.778 -7.334 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.014 -2.150 -5.856 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.618 -3.648 -6.605 1.00 0.00 H new ATOM 591 N ALA A 46 -8.270 -4.170 -5.187 1.00 0.00 N ATOM 592 CA ALA A 46 -8.768 -4.755 -3.959 1.00 0.00 C ATOM 593 C ALA A 46 -7.818 -4.435 -2.813 1.00 0.00 C ATOM 594 O ALA A 46 -6.619 -4.683 -2.911 1.00 0.00 O ATOM 595 CB ALA A 46 -8.911 -6.264 -4.137 1.00 0.00 C ATOM 0 H ALA A 46 -7.293 -4.384 -5.388 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.746 -4.336 -3.722 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.286 -6.705 -3.213 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.610 -6.470 -4.947 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.939 -6.696 -4.377 1.00 0.00 H new ATOM 601 N CYS A 47 -8.359 -3.881 -1.725 1.00 0.00 N ATOM 602 CA CYS A 47 -7.560 -3.530 -0.568 1.00 0.00 C ATOM 603 C CYS A 47 -7.852 -4.495 0.572 1.00 0.00 C ATOM 604 O CYS A 47 -8.933 -5.076 0.633 1.00 0.00 O ATOM 605 CB CYS A 47 -7.870 -2.094 -0.155 1.00 0.00 C ATOM 606 SG CYS A 47 -6.693 -0.875 -0.791 1.00 0.00 S ATOM 0 H CYS A 47 -9.352 -3.669 -1.630 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.501 -3.602 -0.816 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.870 -1.834 -0.503 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.886 -2.035 0.933 1.00 0.00 H new ATOM 611 N ASN A 48 -6.884 -4.665 1.476 1.00 0.00 N ATOM 612 CA ASN A 48 -7.045 -5.557 2.606 1.00 0.00 C ATOM 613 C ASN A 48 -6.998 -4.764 3.904 1.00 0.00 C ATOM 614 O ASN A 48 -5.964 -4.198 4.252 1.00 0.00 O ATOM 615 CB ASN A 48 -5.944 -6.614 2.578 1.00 0.00 C ATOM 616 CG ASN A 48 -5.896 -7.383 3.891 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.880 -7.422 4.625 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.747 -7.996 4.184 1.00 0.00 N ATOM 0 H ASN A 48 -5.981 -4.191 1.439 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.013 -6.055 2.545 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.119 -7.305 1.753 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.981 -6.137 2.396 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.659 -8.527 5.051 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.957 -7.934 3.541 1.00 0.00 H new ATOM 625 N PRO A 49 -8.124 -4.724 4.621 1.00 0.00 N ATOM 626 CA PRO A 49 -8.266 -4.023 5.879 1.00 0.00 C ATOM 627 C PRO A 49 -7.514 -4.773 6.969 1.00 0.00 C ATOM 628 O PRO A 49 -7.503 -4.349 8.122 1.00 0.00 O ATOM 629 CB PRO A 49 -9.768 -4.015 6.155 1.00 0.00 C ATOM 630 CG PRO A 49 -10.242 -5.303 5.483 1.00 0.00 C ATOM 631 CD PRO A 49 -9.358 -5.378 4.241 1.00 0.00 C ATOM 0 HA PRO A 49 -7.859 -3.012 5.850 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.983 -4.013 7.224 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.253 -3.135 5.731 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.107 -6.170 6.129 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.300 -5.259 5.225 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.182 -6.412 3.944 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.825 -4.878 3.393 1.00 0.00 H new ATOM 639 N ALA A 50 -6.886 -5.892 6.601 1.00 0.00 N ATOM 640 CA ALA A 50 -6.139 -6.696 7.548 1.00 0.00 C ATOM 641 C ALA A 50 -4.690 -6.233 7.586 1.00 0.00 C ATOM 642 O ALA A 50 -3.955 -6.564 8.514 1.00 0.00 O ATOM 643 CB ALA A 50 -6.227 -8.166 7.147 1.00 0.00 C ATOM 0 H ALA A 50 -6.885 -6.256 5.648 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.563 -6.579 8.545 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.666 -8.771 7.859 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.270 -8.481 7.146 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.808 -8.297 6.149 1.00 0.00 H new ATOM 649 N ASP A 51 -4.280 -5.464 6.575 1.00 0.00 N ATOM 650 CA ASP A 51 -2.922 -4.962 6.498 1.00 0.00 C ATOM 651 C ASP A 51 -2.942 -3.449 6.340 1.00 0.00 C ATOM 652 O ASP A 51 -2.003 -2.867 5.801 1.00 0.00 O ATOM 653 CB ASP A 51 -2.203 -5.620 5.324 1.00 0.00 C ATOM 654 CG ASP A 51 -3.033 -5.517 4.052 1.00 0.00 C ATOM 655 OD1 ASP A 51 -3.724 -4.486 3.907 1.00 0.00 O ATOM 656 OD2 ASP A 51 -2.960 -6.472 3.248 1.00 0.00 O ATOM 0 H ASP A 51 -4.878 -5.179 5.799 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.386 -5.205 7.416 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.235 -5.142 5.171 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.009 -6.668 5.552 1.00 0.00 H new ATOM 661 N PHE A 52 -4.015 -2.810 6.811 1.00 0.00 N ATOM 662 CA PHE A 52 -4.148 -1.370 6.719 1.00 0.00 C ATOM 663 C PHE A 52 -3.581 -0.718 7.971 1.00 0.00 C ATOM 664 O PHE A 52 -4.194 -0.773 9.035 1.00 0.00 O ATOM 665 CB PHE A 52 -5.620 -1.007 6.538 1.00 0.00 C ATOM 666 CG PHE A 52 -5.885 -0.159 5.317 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.357 1.135 5.235 1.00 0.00 C ATOM 668 CD2 PHE A 52 -6.658 -0.668 4.266 1.00 0.00 C ATOM 669 CE1 PHE A 52 -5.602 1.920 4.102 1.00 0.00 C ATOM 670 CE2 PHE A 52 -6.903 0.118 3.134 1.00 0.00 C ATOM 671 CZ PHE A 52 -6.375 1.411 3.051 1.00 0.00 C ATOM 0 H PHE A 52 -4.803 -3.277 7.260 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.588 -1.003 5.859 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.206 -1.923 6.468 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.966 -0.474 7.423 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.761 1.528 6.046 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.065 -1.666 4.329 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.195 2.918 4.038 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.500 -0.274 2.324 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.563 2.016 2.177 1.00 0.00 H new ATOM 681 N SER A 53 -2.406 -0.097 7.843 1.00 0.00 N ATOM 682 CA SER A 53 -1.765 0.563 8.963 1.00 0.00 C ATOM 683 C SER A 53 -2.023 2.061 8.896 1.00 0.00 C ATOM 684 O SER A 53 -2.693 2.538 7.983 1.00 0.00 O ATOM 685 CB SER A 53 -0.268 0.270 8.935 1.00 0.00 C ATOM 686 OG SER A 53 0.311 0.669 10.158 1.00 0.00 O ATOM 0 H SER A 53 -1.884 -0.042 6.968 1.00 0.00 H new ATOM 0 HA SER A 53 -2.179 0.185 9.898 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.098 -0.794 8.769 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.202 0.801 8.107 1.00 0.00 H new ATOM 0 HG SER A 53 1.272 0.480 10.142 1.00 0.00 H new ATOM 692 N SER A 54 -1.488 2.804 9.868 1.00 0.00 N ATOM 693 CA SER A 54 -1.661 4.242 9.913 1.00 0.00 C ATOM 694 C SER A 54 -0.419 4.894 10.505 1.00 0.00 C ATOM 695 O SER A 54 0.339 4.249 11.226 1.00 0.00 O ATOM 696 CB SER A 54 -2.897 4.579 10.742 1.00 0.00 C ATOM 697 OG SER A 54 -2.550 4.611 12.109 1.00 0.00 O ATOM 0 H SER A 54 -0.931 2.424 10.633 1.00 0.00 H new ATOM 0 HA SER A 54 -1.801 4.627 8.903 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.302 5.543 10.436 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.677 3.837 10.571 1.00 0.00 H new ATOM 0 HG SER A 54 -3.343 4.829 12.643 1.00 0.00 H new ATOM 703 N VAL A 55 -0.214 6.177 10.198 1.00 0.00 N ATOM 704 CA VAL A 55 0.931 6.909 10.701 1.00 0.00 C ATOM 705 C VAL A 55 0.732 8.400 10.467 1.00 0.00 C ATOM 706 O VAL A 55 -0.080 8.796 9.634 1.00 0.00 O ATOM 707 CB VAL A 55 2.195 6.416 10.002 1.00 0.00 C ATOM 708 CG1 VAL A 55 2.028 6.552 8.491 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.388 7.252 10.459 1.00 0.00 C ATOM 0 H VAL A 55 -0.834 6.724 9.601 1.00 0.00 H new ATOM 0 HA VAL A 55 1.035 6.740 11.773 1.00 0.00 H new ATOM 0 HB VAL A 55 2.365 5.370 10.256 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.931 6.200 7.992 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.176 5.955 8.164 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.857 7.598 8.236 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.291 6.900 9.960 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.217 8.298 10.206 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.508 7.155 11.538 1.00 0.00 H new ATOM 719 N THR A 56 1.476 9.227 11.205 1.00 0.00 N ATOM 720 CA THR A 56 1.375 10.666 11.070 1.00 0.00 C ATOM 721 C THR A 56 2.756 11.264 10.842 1.00 0.00 C ATOM 722 O THR A 56 3.733 10.824 11.444 1.00 0.00 O ATOM 723 CB THR A 56 0.734 11.250 12.326 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.416 10.504 12.656 1.00 0.00 O ATOM 725 CG2 THR A 56 0.342 12.702 12.070 1.00 0.00 C ATOM 0 H THR A 56 2.154 8.916 11.901 1.00 0.00 H new ATOM 0 HA THR A 56 0.750 10.910 10.211 1.00 0.00 H new ATOM 0 HB THR A 56 1.445 11.206 13.151 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.827 10.877 13.463 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.116 13.119 12.967 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.231 13.279 11.814 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.369 12.747 11.245 1.00 0.00 H new ATOM 733 N ALA A 57 2.834 12.272 9.970 1.00 0.00 N ATOM 734 CA ALA A 57 4.091 12.924 9.666 1.00 0.00 C ATOM 735 C ALA A 57 4.438 13.914 10.769 1.00 0.00 C ATOM 736 O ALA A 57 3.584 14.681 11.208 1.00 0.00 O ATOM 737 CB ALA A 57 3.984 13.631 8.318 1.00 0.00 C ATOM 0 H ALA A 57 2.032 12.649 9.465 1.00 0.00 H new ATOM 0 HA ALA A 57 4.886 12.181 9.609 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.930 14.122 8.089 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.756 12.901 7.541 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.189 14.376 8.360 1.00 0.00 H new ATOM 743 N ASP A 58 5.696 13.896 11.216 1.00 0.00 N ATOM 744 CA ASP A 58 6.147 14.789 12.264 1.00 0.00 C ATOM 745 C ASP A 58 6.405 16.173 11.685 1.00 0.00 C ATOM 746 O ASP A 58 6.084 16.433 10.528 1.00 0.00 O ATOM 747 CB ASP A 58 7.413 14.225 12.902 1.00 0.00 C ATOM 748 CG ASP A 58 8.535 14.115 11.878 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.375 14.717 10.795 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.530 13.430 12.199 1.00 0.00 O ATOM 0 H ASP A 58 6.416 13.267 10.861 1.00 0.00 H new ATOM 0 HA ASP A 58 5.377 14.875 13.031 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.728 14.867 13.725 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.205 13.243 13.326 1.00 0.00 H new ATOM 755 N ALA A 59 6.986 17.062 12.495 1.00 0.00 N ATOM 756 CA ALA A 59 7.282 18.412 12.060 1.00 0.00 C ATOM 757 C ALA A 59 8.271 18.377 10.904 1.00 0.00 C ATOM 758 O ALA A 59 8.305 19.293 10.086 1.00 0.00 O ATOM 759 CB ALA A 59 7.847 19.210 13.232 1.00 0.00 C ATOM 0 H ALA A 59 7.258 16.861 13.457 1.00 0.00 H new ATOM 0 HA ALA A 59 6.368 18.896 11.715 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.070 20.226 12.906 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.114 19.240 14.039 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.760 18.735 13.589 1.00 0.00 H new ATOM 765 N ASN A 60 9.078 17.315 10.839 1.00 0.00 N ATOM 766 CA ASN A 60 10.061 17.168 9.784 1.00 0.00 C ATOM 767 C ASN A 60 9.382 16.711 8.501 1.00 0.00 C ATOM 768 O ASN A 60 10.026 16.596 7.461 1.00 0.00 O ATOM 769 CB ASN A 60 11.125 16.165 10.220 1.00 0.00 C ATOM 770 CG ASN A 60 12.515 16.641 9.824 1.00 0.00 C ATOM 771 OD1 ASN A 60 13.047 17.575 10.421 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.105 15.995 8.815 1.00 0.00 N ATOM 0 H ASN A 60 9.063 16.547 11.510 1.00 0.00 H new ATOM 0 HA ASN A 60 10.540 18.128 9.593 1.00 0.00 H new ATOM 0 HB2 ASN A 60 11.078 16.025 11.300 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.925 15.195 9.764 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.038 16.271 8.509 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.623 15.226 8.351 1.00 0.00 H new ATOM 779 N GLY A 61 8.074 16.451 8.576 1.00 0.00 N ATOM 780 CA GLY A 61 7.319 16.009 7.421 1.00 0.00 C ATOM 781 C GLY A 61 7.729 14.595 7.032 1.00 0.00 C ATOM 782 O GLY A 61 7.691 14.236 5.857 1.00 0.00 O ATOM 0 H GLY A 61 7.523 16.542 9.430 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.252 16.038 7.643 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.489 16.687 6.585 1.00 0.00 H new ATOM 786 N SER A 62 8.121 13.792 8.024 1.00 0.00 N ATOM 787 CA SER A 62 8.534 12.425 7.781 1.00 0.00 C ATOM 788 C SER A 62 7.682 11.473 8.609 1.00 0.00 C ATOM 789 O SER A 62 7.467 11.702 9.797 1.00 0.00 O ATOM 790 CB SER A 62 10.012 12.271 8.131 1.00 0.00 C ATOM 791 OG SER A 62 10.189 12.464 9.517 1.00 0.00 O ATOM 0 H SER A 62 8.158 14.075 9.003 1.00 0.00 H new ATOM 0 HA SER A 62 8.396 12.181 6.728 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.364 11.280 7.843 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.606 12.995 7.573 1.00 0.00 H new ATOM 0 HG SER A 62 11.137 12.364 9.743 1.00 0.00 H new ATOM 797 N ALA A 63 7.197 10.402 7.977 1.00 0.00 N ATOM 798 CA ALA A 63 6.372 9.422 8.656 1.00 0.00 C ATOM 799 C ALA A 63 6.764 8.021 8.210 1.00 0.00 C ATOM 800 O ALA A 63 6.760 7.723 7.018 1.00 0.00 O ATOM 801 CB ALA A 63 4.903 9.696 8.349 1.00 0.00 C ATOM 0 H ALA A 63 7.367 10.198 6.992 1.00 0.00 H new ATOM 0 HA ALA A 63 6.524 9.495 9.733 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.281 8.960 8.859 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.639 10.696 8.695 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.737 9.629 7.274 1.00 0.00 H new ATOM 807 N SER A 64 7.103 7.160 9.172 1.00 0.00 N ATOM 808 CA SER A 64 7.494 5.797 8.874 1.00 0.00 C ATOM 809 C SER A 64 6.516 4.825 9.519 1.00 0.00 C ATOM 810 O SER A 64 6.035 5.067 10.624 1.00 0.00 O ATOM 811 CB SER A 64 8.913 5.553 9.381 1.00 0.00 C ATOM 812 OG SER A 64 9.617 6.774 9.412 1.00 0.00 O ATOM 0 H SER A 64 7.112 7.392 10.165 1.00 0.00 H new ATOM 0 HA SER A 64 7.475 5.637 7.796 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.884 5.112 10.377 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.425 4.842 8.733 1.00 0.00 H new ATOM 0 HG SER A 64 10.528 6.618 9.739 1.00 0.00 H new ATOM 818 N THR A 65 6.222 3.723 8.826 1.00 0.00 N ATOM 819 CA THR A 65 5.305 2.724 9.338 1.00 0.00 C ATOM 820 C THR A 65 5.633 1.364 8.739 1.00 0.00 C ATOM 821 O THR A 65 6.383 1.273 7.769 1.00 0.00 O ATOM 822 CB THR A 65 3.873 3.131 9.003 1.00 0.00 C ATOM 823 OG1 THR A 65 3.109 3.176 10.187 1.00 0.00 O ATOM 824 CG2 THR A 65 3.265 2.111 8.045 1.00 0.00 C ATOM 0 H THR A 65 6.611 3.507 7.908 1.00 0.00 H new ATOM 0 HA THR A 65 5.406 2.654 10.421 1.00 0.00 H new ATOM 0 HB THR A 65 3.875 4.115 8.533 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.156 3.120 9.964 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.242 2.401 7.806 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.856 2.074 7.130 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.262 1.127 8.515 1.00 0.00 H new ATOM 832 N SER A 66 5.068 0.303 9.321 1.00 0.00 N ATOM 833 CA SER A 66 5.302 -1.044 8.842 1.00 0.00 C ATOM 834 C SER A 66 4.070 -1.552 8.105 1.00 0.00 C ATOM 835 O SER A 66 2.972 -1.558 8.658 1.00 0.00 O ATOM 836 CB SER A 66 5.637 -1.951 10.022 1.00 0.00 C ATOM 837 OG SER A 66 6.998 -2.315 9.962 1.00 0.00 O ATOM 0 H SER A 66 4.445 0.361 10.126 1.00 0.00 H new ATOM 0 HA SER A 66 6.142 -1.046 8.148 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.428 -1.437 10.960 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.010 -2.842 9.999 1.00 0.00 H new ATOM 0 HG SER A 66 7.215 -2.896 10.721 1.00 0.00 H new ATOM 843 N LEU A 67 4.255 -1.979 6.854 1.00 0.00 N ATOM 844 CA LEU A 67 3.162 -2.486 6.049 1.00 0.00 C ATOM 845 C LEU A 67 3.344 -3.979 5.812 1.00 0.00 C ATOM 846 O LEU A 67 4.332 -4.398 5.213 1.00 0.00 O ATOM 847 CB LEU A 67 3.113 -1.731 4.724 1.00 0.00 C ATOM 848 CG LEU A 67 1.681 -1.720 4.198 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.188 -3.155 4.033 1.00 0.00 C ATOM 850 CD2 LEU A 67 0.781 -0.983 5.186 1.00 0.00 C ATOM 0 H LEU A 67 5.159 -1.980 6.382 1.00 0.00 H new ATOM 0 HA LEU A 67 2.219 -2.334 6.574 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.469 -0.710 4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.775 -2.204 3.999 1.00 0.00 H new ATOM 0 HG LEU A 67 1.653 -1.213 3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.165 -3.147 3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.830 -3.681 3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.217 -3.663 4.997 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.242 -0.975 4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.809 -1.489 6.151 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.132 0.042 5.303 1.00 0.00 H new ATOM 862 N THR A 68 2.387 -4.781 6.284 1.00 0.00 N ATOM 863 CA THR A 68 2.450 -6.219 6.118 1.00 0.00 C ATOM 864 C THR A 68 1.973 -6.602 4.724 1.00 0.00 C ATOM 865 O THR A 68 0.931 -6.135 4.271 1.00 0.00 O ATOM 866 CB THR A 68 1.592 -6.891 7.186 1.00 0.00 C ATOM 867 OG1 THR A 68 1.514 -8.275 6.924 1.00 0.00 O ATOM 868 CG2 THR A 68 0.189 -6.290 7.165 1.00 0.00 C ATOM 0 H THR A 68 1.562 -4.450 6.784 1.00 0.00 H new ATOM 0 HA THR A 68 3.480 -6.556 6.231 1.00 0.00 H new ATOM 0 HB THR A 68 2.041 -6.731 8.166 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.146 -8.753 7.500 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.424 -6.770 7.928 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.248 -5.221 7.367 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.261 -6.450 6.185 1.00 0.00 H new ATOM 876 N VAL A 69 2.741 -7.457 4.044 1.00 0.00 N ATOM 877 CA VAL A 69 2.396 -7.898 2.708 1.00 0.00 C ATOM 878 C VAL A 69 1.935 -9.348 2.748 1.00 0.00 C ATOM 879 O VAL A 69 2.605 -10.199 3.331 1.00 0.00 O ATOM 880 CB VAL A 69 3.607 -7.741 1.792 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.861 -7.536 2.637 1.00 0.00 C ATOM 882 CG2 VAL A 69 3.767 -8.997 0.940 1.00 0.00 C ATOM 0 H VAL A 69 3.608 -7.854 4.407 1.00 0.00 H new ATOM 0 HA VAL A 69 1.581 -7.288 2.318 1.00 0.00 H new ATOM 0 HB VAL A 69 3.462 -6.878 1.143 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.726 -7.424 1.983 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.747 -6.639 3.245 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.007 -8.399 3.287 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.632 -8.885 0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.912 -9.861 1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.872 -9.143 0.336 1.00 0.00 H new ATOM 892 N ARG A 70 0.788 -9.629 2.127 1.00 0.00 N ATOM 893 CA ARG A 70 0.244 -10.972 2.095 1.00 0.00 C ATOM 894 C ARG A 70 0.213 -11.482 0.662 1.00 0.00 C ATOM 895 O ARG A 70 0.004 -10.709 -0.270 1.00 0.00 O ATOM 896 CB ARG A 70 -1.159 -10.966 2.696 1.00 0.00 C ATOM 897 CG ARG A 70 -1.060 -10.999 4.219 1.00 0.00 C ATOM 898 CD ARG A 70 -0.419 -9.706 4.715 1.00 0.00 C ATOM 899 NE ARG A 70 -0.650 -9.521 6.148 1.00 0.00 N ATOM 900 CZ ARG A 70 -0.033 -10.256 7.083 1.00 0.00 C ATOM 901 NH1 ARG A 70 0.840 -11.206 6.721 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.287 -10.040 8.381 1.00 0.00 N ATOM 0 H ARG A 70 0.221 -8.935 1.639 1.00 0.00 H new ATOM 0 HA ARG A 70 0.875 -11.638 2.683 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.700 -10.076 2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.723 -11.828 2.339 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.052 -11.117 4.656 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.467 -11.857 4.537 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.652 -9.728 4.516 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.829 -8.859 4.165 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.309 -8.802 6.448 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.035 -11.370 5.733 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.310 -11.765 7.433 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.950 -9.316 8.657 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.183 -10.600 9.093 1.00 0.00 H new ATOM 916 N ARG A 71 0.422 -12.789 0.487 1.00 0.00 N ATOM 917 CA ARG A 71 0.418 -13.395 -0.829 1.00 0.00 C ATOM 918 C ARG A 71 -1.000 -13.419 -1.382 1.00 0.00 C ATOM 919 O ARG A 71 -1.217 -13.820 -2.523 1.00 0.00 O ATOM 920 CB ARG A 71 0.987 -14.808 -0.739 1.00 0.00 C ATOM 921 CG ARG A 71 0.044 -15.685 0.081 1.00 0.00 C ATOM 922 CD ARG A 71 -0.478 -16.824 -0.790 1.00 0.00 C ATOM 923 NE ARG A 71 -1.645 -17.460 -0.178 1.00 0.00 N ATOM 924 CZ ARG A 71 -2.400 -18.362 -0.820 1.00 0.00 C ATOM 925 NH1 ARG A 71 -2.098 -18.716 -2.076 1.00 0.00 N ATOM 926 NH2 ARG A 71 -3.458 -18.910 -0.206 1.00 0.00 N ATOM 0 H ARG A 71 0.596 -13.443 1.250 1.00 0.00 H new ATOM 0 HA ARG A 71 1.040 -12.809 -1.505 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.112 -15.225 -1.738 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.974 -14.785 -0.277 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.567 -16.087 0.949 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.788 -15.090 0.457 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.743 -16.441 -1.775 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.309 -17.564 -0.937 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.894 -17.206 0.778 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.293 -18.299 -2.544 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.673 -19.403 -2.565 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.689 -18.640 0.750 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.032 -19.596 -0.695 1.00 0.00 H new ATOM 940 N SER A 72 -1.967 -12.988 -0.568 1.00 0.00 N ATOM 941 CA SER A 72 -3.355 -12.961 -0.981 1.00 0.00 C ATOM 942 C SER A 72 -4.216 -12.396 0.141 1.00 0.00 C ATOM 943 O SER A 72 -3.859 -12.499 1.312 1.00 0.00 O ATOM 944 CB SER A 72 -3.803 -14.373 -1.348 1.00 0.00 C ATOM 945 OG SER A 72 -3.500 -15.252 -0.289 1.00 0.00 O ATOM 0 H SER A 72 -1.804 -12.654 0.382 1.00 0.00 H new ATOM 0 HA SER A 72 -3.466 -12.320 -1.855 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.874 -14.385 -1.550 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.303 -14.699 -2.260 1.00 0.00 H new ATOM 0 HG SER A 72 -3.927 -16.119 -0.451 1.00 0.00 H new ATOM 951 N PHE A 73 -5.355 -11.800 -0.221 1.00 0.00 N ATOM 952 CA PHE A 73 -6.258 -11.225 0.755 1.00 0.00 C ATOM 953 C PHE A 73 -7.500 -10.689 0.057 1.00 0.00 C ATOM 954 O PHE A 73 -7.493 -10.482 -1.154 1.00 0.00 O ATOM 955 CB PHE A 73 -5.542 -10.113 1.516 1.00 0.00 C ATOM 956 CG PHE A 73 -4.878 -9.098 0.616 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.660 -8.236 -0.163 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.482 -9.020 0.560 1.00 0.00 C ATOM 959 CE1 PHE A 73 -5.045 -7.297 -0.999 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.867 -8.080 -0.276 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.648 -7.219 -1.055 1.00 0.00 C ATOM 0 H PHE A 73 -5.666 -11.708 -1.188 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.568 -11.992 1.465 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.260 -9.603 2.158 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.789 -10.556 2.168 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.737 -8.296 -0.119 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.879 -9.684 1.161 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.648 -6.633 -1.601 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.790 -8.019 -0.320 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.173 -6.494 -1.700 1.00 0.00 H new ATOM 971 N GLU A 74 -8.569 -10.465 0.825 1.00 0.00 N ATOM 972 CA GLU A 74 -9.809 -9.954 0.275 1.00 0.00 C ATOM 973 C GLU A 74 -9.552 -8.643 -0.454 1.00 0.00 C ATOM 974 O GLU A 74 -8.980 -7.715 0.115 1.00 0.00 O ATOM 975 CB GLU A 74 -10.821 -9.759 1.401 1.00 0.00 C ATOM 976 CG GLU A 74 -10.235 -8.823 2.454 1.00 0.00 C ATOM 977 CD GLU A 74 -10.864 -9.078 3.817 1.00 0.00 C ATOM 978 OE1 GLU A 74 -12.044 -9.490 3.829 1.00 0.00 O ATOM 979 OE2 GLU A 74 -10.153 -8.857 4.820 1.00 0.00 O ATOM 0 H GLU A 74 -8.592 -10.633 1.831 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.215 -10.669 -0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.747 -9.343 1.004 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.070 -10.720 1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.156 -8.967 2.514 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.403 -7.787 2.159 1.00 0.00 H new ATOM 986 N GLY A 75 -9.978 -8.566 -1.717 1.00 0.00 N ATOM 987 CA GLY A 75 -9.791 -7.368 -2.511 1.00 0.00 C ATOM 988 C GLY A 75 -10.894 -6.362 -2.215 1.00 0.00 C ATOM 989 O GLY A 75 -11.926 -6.353 -2.883 1.00 0.00 O ATOM 0 H GLY A 75 -10.454 -9.325 -2.205 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.819 -6.927 -2.293 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.795 -7.622 -3.571 1.00 0.00 H new ATOM 993 N PHE A 76 -10.674 -5.512 -1.210 1.00 0.00 N ATOM 994 CA PHE A 76 -11.649 -4.508 -0.832 1.00 0.00 C ATOM 995 C PHE A 76 -11.494 -3.279 -1.717 1.00 0.00 C ATOM 996 O PHE A 76 -10.603 -2.462 -1.498 1.00 0.00 O ATOM 997 CB PHE A 76 -11.459 -4.143 0.638 1.00 0.00 C ATOM 998 CG PHE A 76 -12.721 -4.268 1.457 1.00 0.00 C ATOM 999 CD1 PHE A 76 -13.854 -3.521 1.116 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.757 -5.129 2.561 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -15.024 -3.635 1.877 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.926 -5.243 3.322 1.00 0.00 C ATOM 1003 CZ PHE A 76 -15.059 -4.496 2.980 1.00 0.00 C ATOM 0 H PHE A 76 -9.824 -5.506 -0.647 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.655 -4.904 -0.967 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.691 -4.786 1.068 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.091 -3.119 0.705 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.826 -2.856 0.265 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.882 -5.705 2.825 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -15.899 -3.059 1.613 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.954 -5.907 4.173 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.961 -4.584 3.568 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.366 -3.150 -2.720 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.323 -2.025 -3.632 1.00 0.00 C ATOM 1015 C LEU A 77 -12.592 -0.734 -2.872 1.00 0.00 C ATOM 1016 O LEU A 77 -13.556 -0.646 -2.115 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.356 -2.226 -4.737 1.00 0.00 C ATOM 1018 CG LEU A 77 -13.816 -0.867 -5.256 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -12.626 -0.119 -5.850 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -14.881 -1.067 -6.332 1.00 0.00 C ATOM 0 H LEU A 77 -13.111 -3.819 -2.914 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.334 -1.958 -4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.926 -2.811 -5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.208 -2.789 -4.355 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.235 -0.287 -4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.955 0.852 -6.221 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.866 0.024 -5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.206 -0.698 -6.672 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.210 -0.096 -6.703 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.463 -1.647 -7.154 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -15.731 -1.600 -5.907 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.736 0.270 -3.075 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.887 1.548 -2.409 1.00 0.00 C ATOM 1034 C PHE A 78 -13.329 2.023 -2.522 1.00 0.00 C ATOM 1035 O PHE A 78 -13.859 2.630 -1.595 1.00 0.00 O ATOM 1036 CB PHE A 78 -10.932 2.562 -3.034 1.00 0.00 C ATOM 1037 CG PHE A 78 -11.066 2.670 -4.534 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -12.106 3.423 -5.092 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -10.150 2.016 -5.367 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -12.231 3.521 -6.483 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -10.275 2.115 -6.758 1.00 0.00 C ATOM 1042 CZ PHE A 78 -11.316 2.867 -7.316 1.00 0.00 C ATOM 0 H PHE A 78 -10.931 0.214 -3.699 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.643 1.442 -1.352 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -11.112 3.541 -2.590 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -9.907 2.284 -2.788 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -12.812 3.928 -4.449 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.347 1.435 -4.937 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -13.034 4.101 -6.913 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -9.568 1.611 -7.401 1.00 0.00 H new ATOM 0 HZ PHE A 78 -11.413 2.942 -8.389 1.00 0.00 H new ATOM 1052 N ASP A 79 -13.963 1.744 -3.664 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.337 2.143 -3.892 1.00 0.00 C ATOM 1054 C ASP A 79 -16.229 1.562 -2.805 1.00 0.00 C ATOM 1055 O ASP A 79 -17.360 2.008 -2.624 1.00 0.00 O ATOM 1056 CB ASP A 79 -15.782 1.666 -5.271 1.00 0.00 C ATOM 1057 CG ASP A 79 -16.818 2.609 -5.865 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -16.389 3.623 -6.458 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -18.019 2.299 -5.716 1.00 0.00 O ATOM 0 H ASP A 79 -13.537 1.241 -4.442 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.416 3.230 -3.856 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -14.919 1.603 -5.934 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.200 0.662 -5.195 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.720 0.562 -2.081 1.00 0.00 N ATOM 1065 CA GLY A 80 -16.476 -0.070 -1.019 1.00 0.00 C ATOM 1066 C GLY A 80 -17.138 -1.344 -1.529 1.00 0.00 C ATOM 1067 O GLY A 80 -18.175 -1.756 -1.015 1.00 0.00 O ATOM 0 H GLY A 80 -14.785 0.178 -2.218 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.817 -0.304 -0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -17.234 0.617 -0.644 1.00 0.00 H new ATOM 1071 N THR A 81 -16.534 -1.966 -2.544 1.00 0.00 N ATOM 1072 CA THR A 81 -17.068 -3.187 -3.114 1.00 0.00 C ATOM 1073 C THR A 81 -16.121 -4.346 -2.840 1.00 0.00 C ATOM 1074 O THR A 81 -14.905 -4.168 -2.827 1.00 0.00 O ATOM 1075 CB THR A 81 -17.272 -2.999 -4.615 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.457 -2.269 -4.840 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.380 -4.364 -5.288 1.00 0.00 C ATOM 0 H THR A 81 -15.674 -1.637 -2.983 1.00 0.00 H new ATOM 0 HA THR A 81 -18.029 -3.416 -2.654 1.00 0.00 H new ATOM 0 HB THR A 81 -16.425 -2.454 -5.032 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.588 -2.146 -5.803 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.526 -4.231 -6.360 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.464 -4.929 -5.114 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.227 -4.909 -4.872 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.682 -5.537 -2.619 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.888 -6.717 -2.346 1.00 0.00 C ATOM 1087 C ARG A 82 -15.525 -7.409 -3.652 1.00 0.00 C ATOM 1088 O ARG A 82 -16.297 -8.216 -4.165 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.675 -7.658 -1.437 1.00 0.00 C ATOM 1090 CG ARG A 82 -16.309 -7.383 0.019 1.00 0.00 C ATOM 1091 CD ARG A 82 -17.088 -8.330 0.927 1.00 0.00 C ATOM 1092 NE ARG A 82 -17.802 -7.590 1.968 1.00 0.00 N ATOM 1093 CZ ARG A 82 -19.006 -7.037 1.769 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -19.607 -7.151 0.577 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -19.609 -6.370 2.763 1.00 0.00 N ATOM 0 H ARG A 82 -17.689 -5.701 -2.626 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.965 -6.431 -1.841 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -17.745 -7.515 -1.587 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.453 -8.695 -1.689 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.238 -7.519 0.168 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -16.538 -6.348 0.273 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -17.798 -8.906 0.334 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -16.404 -9.043 1.387 1.00 0.00 H new ATOM 0 HE ARG A 82 -17.365 -7.491 2.884 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -19.148 -7.659 -0.179 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -20.524 -6.730 0.426 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -19.151 -6.284 3.670 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -20.526 -5.949 2.612 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.346 -7.092 -4.191 1.00 0.00 N ATOM 1110 CA TRP A 83 -13.891 -7.686 -5.431 1.00 0.00 C ATOM 1111 C TRP A 83 -13.714 -9.187 -5.252 1.00 0.00 C ATOM 1112 O TRP A 83 -14.327 -9.977 -5.966 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.578 -7.034 -5.855 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.604 -6.385 -7.202 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -12.401 -5.071 -7.439 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -12.844 -6.993 -8.508 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -12.498 -4.825 -8.793 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -12.771 -5.978 -9.500 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -13.117 -8.298 -8.955 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -12.958 -6.242 -10.860 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -13.305 -8.573 -10.318 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -13.227 -7.550 -11.270 1.00 0.00 C ATOM 0 H TRP A 83 -13.694 -6.424 -3.780 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.634 -7.519 -6.211 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.305 -6.285 -5.112 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.794 -7.791 -5.848 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -12.194 -4.327 -6.684 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -12.382 -3.905 -9.218 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -13.183 -9.102 -8.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -12.895 -5.444 -11.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -13.512 -9.584 -10.636 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.374 -7.771 -12.317 1.00 0.00 H new ATOM 1133 N GLY A 84 -12.872 -9.581 -4.293 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.622 -10.984 -4.029 1.00 0.00 C ATOM 1135 C GLY A 84 -11.170 -11.193 -3.621 1.00 0.00 C ATOM 1136 O GLY A 84 -10.332 -10.318 -3.827 1.00 0.00 O ATOM 0 H GLY A 84 -12.355 -8.940 -3.690 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.284 -11.336 -3.238 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.846 -11.574 -4.918 1.00 0.00 H new ATOM 1140 N THR A 85 -10.873 -12.359 -3.041 1.00 0.00 N ATOM 1141 CA THR A 85 -9.526 -12.673 -2.611 1.00 0.00 C ATOM 1142 C THR A 85 -8.563 -12.543 -3.782 1.00 0.00 C ATOM 1143 O THR A 85 -8.784 -13.128 -4.840 1.00 0.00 O ATOM 1144 CB THR A 85 -9.493 -14.088 -2.039 1.00 0.00 C ATOM 1145 OG1 THR A 85 -10.729 -14.375 -1.424 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.375 -14.194 -1.007 1.00 0.00 C ATOM 0 H THR A 85 -11.555 -13.096 -2.862 1.00 0.00 H new ATOM 0 HA THR A 85 -9.217 -11.972 -1.835 1.00 0.00 H new ATOM 0 HB THR A 85 -9.313 -14.801 -2.844 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.709 -15.284 -1.058 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.351 -15.204 -0.599 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.419 -13.972 -1.482 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.554 -13.481 -0.202 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.490 -11.771 -3.590 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.499 -11.567 -4.627 1.00 0.00 C ATOM 1156 C VAL A 86 -5.222 -12.316 -4.274 1.00 0.00 C ATOM 1157 O VAL A 86 -4.956 -12.574 -3.102 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.226 -10.074 -4.781 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -7.094 -9.293 -3.799 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -4.754 -9.795 -4.492 1.00 0.00 C ATOM 0 H VAL A 86 -7.293 -11.279 -2.719 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.873 -11.954 -5.575 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.462 -9.765 -5.799 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -6.899 -8.226 -3.909 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.146 -9.492 -4.005 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.859 -9.601 -2.780 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.557 -8.728 -4.602 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.518 -10.105 -3.474 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.133 -10.352 -5.194 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.432 -12.665 -5.291 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.190 -13.382 -5.083 1.00 0.00 C ATOM 1172 C ASP A 87 -2.018 -12.524 -5.537 1.00 0.00 C ATOM 1173 O ASP A 87 -1.826 -12.316 -6.733 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.228 -14.698 -5.855 1.00 0.00 C ATOM 1175 CG ASP A 87 -3.398 -15.878 -4.909 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -2.357 -16.380 -4.434 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -4.567 -16.256 -4.678 1.00 0.00 O ATOM 0 H ASP A 87 -4.639 -12.458 -6.268 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.065 -13.602 -4.023 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.049 -14.680 -6.572 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.308 -14.815 -6.427 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.234 -12.025 -4.579 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.087 -11.193 -4.883 1.00 0.00 C ATOM 1184 C CYS A 88 0.825 -11.915 -5.865 1.00 0.00 C ATOM 1185 O CYS A 88 1.556 -11.277 -6.619 1.00 0.00 O ATOM 1186 CB CYS A 88 0.659 -10.864 -3.593 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.123 -9.567 -2.602 1.00 0.00 S ATOM 0 H CYS A 88 -1.381 -12.189 -3.583 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.419 -10.261 -5.342 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.739 -11.769 -2.991 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.674 -10.555 -3.841 1.00 0.00 H new ATOM 1192 N THR A 89 0.782 -13.249 -5.855 1.00 0.00 N ATOM 1193 CA THR A 89 1.604 -14.044 -6.745 1.00 0.00 C ATOM 1194 C THR A 89 0.947 -14.137 -8.114 1.00 0.00 C ATOM 1195 O THR A 89 1.492 -14.753 -9.027 1.00 0.00 O ATOM 1196 CB THR A 89 1.803 -15.434 -6.146 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.558 -16.092 -6.062 1.00 0.00 O ATOM 1198 CG2 THR A 89 2.405 -15.305 -4.750 1.00 0.00 C ATOM 0 H THR A 89 0.182 -13.795 -5.236 1.00 0.00 H new ATOM 0 HA THR A 89 2.578 -13.570 -6.865 1.00 0.00 H new ATOM 0 HB THR A 89 2.477 -16.010 -6.780 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.685 -16.985 -5.679 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.547 -16.297 -4.322 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.367 -14.796 -4.814 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.732 -14.729 -4.115 1.00 0.00 H new ATOM 1206 N THR A 90 -0.229 -13.520 -8.257 1.00 0.00 N ATOM 1207 CA THR A 90 -0.950 -13.537 -9.514 1.00 0.00 C ATOM 1208 C THR A 90 -1.065 -12.123 -10.064 1.00 0.00 C ATOM 1209 O THR A 90 -1.166 -11.931 -11.274 1.00 0.00 O ATOM 1210 CB THR A 90 -2.332 -14.148 -9.298 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.264 -15.543 -9.490 1.00 0.00 O ATOM 1212 CG2 THR A 90 -3.316 -13.545 -10.296 1.00 0.00 C ATOM 0 H THR A 90 -0.695 -13.004 -7.511 1.00 0.00 H new ATOM 0 HA THR A 90 -0.408 -14.143 -10.240 1.00 0.00 H new ATOM 0 HB THR A 90 -2.668 -13.937 -8.283 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.151 -15.936 -9.350 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.303 -13.981 -10.142 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.369 -12.466 -10.149 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.980 -13.756 -11.311 1.00 0.00 H new ATOM 1220 N ALA A 91 -1.051 -11.131 -9.171 1.00 0.00 N ATOM 1221 CA ALA A 91 -1.154 -9.742 -9.570 1.00 0.00 C ATOM 1222 C ALA A 91 -0.075 -8.924 -8.875 1.00 0.00 C ATOM 1223 O ALA A 91 0.736 -9.470 -8.130 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.543 -9.215 -9.218 1.00 0.00 C ATOM 0 H ALA A 91 -0.969 -11.274 -8.164 1.00 0.00 H new ATOM 0 HA ALA A 91 -1.009 -9.657 -10.647 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.622 -8.170 -9.517 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.298 -9.801 -9.742 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.702 -9.297 -8.143 1.00 0.00 H new ATOM 1230 N ALA A 92 -0.067 -7.612 -9.120 1.00 0.00 N ATOM 1231 CA ALA A 92 0.911 -6.728 -8.519 1.00 0.00 C ATOM 1232 C ALA A 92 0.321 -6.072 -7.280 1.00 0.00 C ATOM 1233 O ALA A 92 -0.729 -5.436 -7.352 1.00 0.00 O ATOM 1234 CB ALA A 92 1.337 -5.674 -9.538 1.00 0.00 C ATOM 0 H ALA A 92 -0.734 -7.145 -9.735 1.00 0.00 H new ATOM 0 HA ALA A 92 1.789 -7.301 -8.219 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.073 -5.008 -9.087 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.776 -6.164 -10.407 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.467 -5.096 -9.849 1.00 0.00 H new ATOM 1240 N CYS A 93 0.998 -6.228 -6.140 1.00 0.00 N ATOM 1241 CA CYS A 93 0.538 -5.652 -4.892 1.00 0.00 C ATOM 1242 C CYS A 93 1.378 -4.429 -4.549 1.00 0.00 C ATOM 1243 O CYS A 93 2.535 -4.336 -4.953 1.00 0.00 O ATOM 1244 CB CYS A 93 0.630 -6.699 -3.785 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.549 -8.061 -3.961 1.00 0.00 S ATOM 0 H CYS A 93 1.870 -6.752 -6.064 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.501 -5.339 -4.992 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.641 -7.107 -3.768 1.00 0.00 H new ATOM 0 HB3 CYS A 93 0.466 -6.212 -2.824 1.00 0.00 H new ATOM 1250 N GLN A 94 0.791 -3.491 -3.803 1.00 0.00 N ATOM 1251 CA GLN A 94 1.487 -2.281 -3.412 1.00 0.00 C ATOM 1252 C GLN A 94 0.853 -1.703 -2.154 1.00 0.00 C ATOM 1253 O GLN A 94 -0.357 -1.806 -1.963 1.00 0.00 O ATOM 1254 CB GLN A 94 1.432 -1.273 -4.557 1.00 0.00 C ATOM 1255 CG GLN A 94 0.355 -0.232 -4.268 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.132 0.418 -5.555 1.00 0.00 C ATOM 1257 OE1 GLN A 94 0.460 0.221 -6.614 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -1.214 1.195 -5.462 1.00 0.00 N ATOM 0 H GLN A 94 -0.168 -3.554 -3.461 1.00 0.00 H new ATOM 0 HA GLN A 94 2.530 -2.511 -3.195 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.400 -0.787 -4.674 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.216 -1.784 -5.495 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.483 -0.703 -3.754 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.752 0.531 -3.598 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.671 1.328 -4.560 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.584 1.656 -6.293 1.00 0.00 H new ATOM 1267 N VAL A 95 1.674 -1.094 -1.296 1.00 0.00 N ATOM 1268 CA VAL A 95 1.192 -0.504 -0.063 1.00 0.00 C ATOM 1269 C VAL A 95 0.961 0.987 -0.263 1.00 0.00 C ATOM 1270 O VAL A 95 1.468 1.573 -1.216 1.00 0.00 O ATOM 1271 CB VAL A 95 2.208 -0.750 1.049 1.00 0.00 C ATOM 1272 CG1 VAL A 95 1.978 0.249 2.178 1.00 0.00 C ATOM 1273 CG2 VAL A 95 2.041 -2.170 1.584 1.00 0.00 C ATOM 0 H VAL A 95 2.679 -1.001 -1.441 1.00 0.00 H new ATOM 0 HA VAL A 95 0.245 -0.964 0.221 1.00 0.00 H new ATOM 0 HB VAL A 95 3.217 -0.626 0.655 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.703 0.074 2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.096 1.263 1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.970 0.125 2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.766 -2.347 2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.033 -2.294 1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.205 -2.884 0.777 1.00 0.00 H new ATOM 1283 N GLY A 96 0.193 1.600 0.641 1.00 0.00 N ATOM 1284 CA GLY A 96 -0.098 3.018 0.555 1.00 0.00 C ATOM 1285 C GLY A 96 -0.845 3.479 1.799 1.00 0.00 C ATOM 1286 O GLY A 96 -1.427 2.666 2.514 1.00 0.00 O ATOM 0 H GLY A 96 -0.235 1.129 1.438 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.829 3.581 0.450 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.697 3.220 -0.333 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.828 4.789 2.055 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.502 5.352 3.208 1.00 0.00 C ATOM 1292 C LEU A 97 -2.198 6.648 2.818 1.00 0.00 C ATOM 1293 O LEU A 97 -1.667 7.427 2.029 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.487 5.597 4.320 1.00 0.00 C ATOM 1295 CG LEU A 97 0.492 6.684 3.885 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.835 7.569 5.080 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.765 6.037 3.348 1.00 0.00 C ATOM 0 H LEU A 97 -0.350 5.476 1.471 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.256 4.653 3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.999 5.898 5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.052 4.676 4.545 1.00 0.00 H new ATOM 0 HG LEU A 97 0.036 7.291 3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.534 8.345 4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.074 8.032 5.463 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.291 6.963 5.863 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.464 6.813 3.037 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.221 5.429 4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.520 5.406 2.494 1.00 0.00 H new ATOM 1309 N SER A 98 -3.390 6.878 3.373 1.00 0.00 N ATOM 1310 CA SER A 98 -4.150 8.077 3.082 1.00 0.00 C ATOM 1311 C SER A 98 -4.684 8.677 4.375 1.00 0.00 C ATOM 1312 O SER A 98 -4.812 7.980 5.379 1.00 0.00 O ATOM 1313 CB SER A 98 -5.294 7.735 2.131 1.00 0.00 C ATOM 1314 OG SER A 98 -4.907 8.026 0.807 1.00 0.00 O ATOM 0 H SER A 98 -3.844 6.242 4.028 1.00 0.00 H new ATOM 0 HA SER A 98 -3.505 8.814 2.603 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.554 6.680 2.222 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.184 8.306 2.395 1.00 0.00 H new ATOM 0 HG SER A 98 -5.640 7.805 0.196 1.00 0.00 H new ATOM 1320 N ASP A 99 -4.995 9.975 4.348 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.513 10.661 5.514 1.00 0.00 C ATOM 1322 C ASP A 99 -7.007 10.901 5.350 1.00 0.00 C ATOM 1323 O ASP A 99 -7.645 10.290 4.497 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.770 11.981 5.698 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.513 13.123 5.019 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.747 13.000 3.798 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.832 14.097 5.735 1.00 0.00 O ATOM 0 H ASP A 99 -4.893 10.567 3.523 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.360 10.046 6.401 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.659 12.195 6.761 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.765 11.898 5.283 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.563 11.795 6.171 1.00 0.00 N ATOM 1333 CA ALA A 100 -8.977 12.110 6.113 1.00 0.00 C ATOM 1334 C ALA A 100 -9.337 12.610 4.722 1.00 0.00 C ATOM 1335 O ALA A 100 -10.296 12.134 4.118 1.00 0.00 O ATOM 1336 CB ALA A 100 -9.306 13.162 7.168 1.00 0.00 C ATOM 0 H ALA A 100 -7.046 12.311 6.883 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.562 11.214 6.318 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.369 13.400 7.126 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.060 12.775 8.157 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.724 14.064 6.976 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.565 13.573 4.213 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.807 14.133 2.899 1.00 0.00 C ATOM 1344 C ALA A 101 -8.432 13.117 1.829 1.00 0.00 C ATOM 1345 O ALA A 101 -8.948 13.167 0.715 1.00 0.00 O ATOM 1346 CB ALA A 101 -7.995 15.415 2.736 1.00 0.00 C ATOM 0 H ALA A 101 -7.765 13.977 4.701 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.865 14.372 2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.176 15.837 1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.294 16.134 3.498 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.934 15.190 2.845 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.530 12.193 2.169 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.095 11.175 1.234 1.00 0.00 C ATOM 1354 C GLY A 102 -5.755 11.558 0.623 1.00 0.00 C ATOM 1355 O GLY A 102 -5.540 11.376 -0.574 1.00 0.00 O ATOM 0 H GLY A 102 -7.091 12.136 3.088 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.009 10.216 1.744 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.839 11.052 0.447 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.851 12.091 1.449 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.539 12.497 0.985 1.00 0.00 C ATOM 1361 C ASN A 103 -2.465 11.681 1.691 1.00 0.00 C ATOM 1362 O ASN A 103 -2.770 10.869 2.561 1.00 0.00 O ATOM 1363 CB ASN A 103 -3.347 13.987 1.249 1.00 0.00 C ATOM 1364 CG ASN A 103 -3.855 14.364 2.633 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.231 13.806 3.673 1.00 0.00 O flip ATOM 1366 ND2 ASN A 103 -4.795 15.145 2.759 1.00 0.00 N flip ATOM 0 H ASN A 103 -5.013 12.248 2.444 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.456 12.317 -0.087 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.291 14.242 1.163 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.877 14.566 0.493 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -5.240 15.546 1.933 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.131 15.393 3.690 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.203 11.899 1.313 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.095 11.183 1.913 1.00 0.00 C ATOM 1375 C GLY A 104 0.885 10.733 0.839 1.00 0.00 C ATOM 1376 O GLY A 104 0.716 11.057 -0.334 1.00 0.00 O ATOM 0 H GLY A 104 -0.932 12.568 0.593 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.413 11.823 2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.467 10.318 2.462 1.00 0.00 H new ATOM 1380 N PRO A 105 1.913 9.983 1.244 1.00 0.00 N ATOM 1381 CA PRO A 105 2.940 9.464 0.367 1.00 0.00 C ATOM 1382 C PRO A 105 2.364 8.341 -0.484 1.00 0.00 C ATOM 1383 O PRO A 105 1.676 7.461 0.028 1.00 0.00 O ATOM 1384 CB PRO A 105 4.026 8.939 1.304 1.00 0.00 C ATOM 1385 CG PRO A 105 3.232 8.518 2.540 1.00 0.00 C ATOM 1386 CD PRO A 105 2.141 9.583 2.616 1.00 0.00 C ATOM 0 HA PRO A 105 3.332 10.215 -0.319 1.00 0.00 H new ATOM 0 HB2 PRO A 105 4.567 8.100 0.866 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.763 9.707 1.539 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.814 7.517 2.431 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.852 8.509 3.436 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.232 9.186 3.068 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.457 10.429 3.227 1.00 0.00 H new ATOM 1394 N GLU A 106 2.647 8.373 -1.789 1.00 0.00 N ATOM 1395 CA GLU A 106 2.155 7.360 -2.701 1.00 0.00 C ATOM 1396 C GLU A 106 3.258 6.950 -3.666 1.00 0.00 C ATOM 1397 O GLU A 106 4.101 7.766 -4.032 1.00 0.00 O ATOM 1398 CB GLU A 106 0.947 7.902 -3.459 1.00 0.00 C ATOM 1399 CG GLU A 106 0.946 7.346 -4.879 1.00 0.00 C ATOM 1400 CD GLU A 106 -0.352 7.690 -5.596 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -0.738 8.877 -5.533 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -0.934 6.759 -6.194 1.00 0.00 O ATOM 0 H GLU A 106 3.217 9.095 -2.230 1.00 0.00 H new ATOM 0 HA GLU A 106 1.849 6.478 -2.138 1.00 0.00 H new ATOM 0 HB2 GLU A 106 0.027 7.621 -2.947 1.00 0.00 H new ATOM 0 HB3 GLU A 106 0.979 8.991 -3.484 1.00 0.00 H new ATOM 0 HG2 GLU A 106 1.791 7.753 -5.434 1.00 0.00 H new ATOM 0 HG3 GLU A 106 1.075 6.264 -4.850 1.00 0.00 H new ATOM 1409 N GLY A 107 3.251 5.681 -4.080 1.00 0.00 N ATOM 1410 CA GLY A 107 4.250 5.175 -5.000 1.00 0.00 C ATOM 1411 C GLY A 107 5.009 4.016 -4.369 1.00 0.00 C ATOM 1412 O GLY A 107 6.230 4.067 -4.239 1.00 0.00 O ATOM 0 H GLY A 107 2.560 4.990 -3.787 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.772 4.846 -5.923 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.945 5.971 -5.267 1.00 0.00 H new ATOM 1416 N VAL A 108 4.281 2.968 -3.977 1.00 0.00 N ATOM 1417 CA VAL A 108 4.885 1.803 -3.363 1.00 0.00 C ATOM 1418 C VAL A 108 4.378 0.540 -4.044 1.00 0.00 C ATOM 1419 O VAL A 108 3.268 0.089 -3.772 1.00 0.00 O ATOM 1420 CB VAL A 108 4.555 1.785 -1.873 1.00 0.00 C ATOM 1421 CG1 VAL A 108 4.741 0.372 -1.327 1.00 0.00 C ATOM 1422 CG2 VAL A 108 5.485 2.743 -1.134 1.00 0.00 C ATOM 0 H VAL A 108 3.268 2.911 -4.078 1.00 0.00 H new ATOM 0 HA VAL A 108 5.968 1.845 -3.481 1.00 0.00 H new ATOM 0 HB VAL A 108 3.521 2.097 -1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 108 4.505 0.359 -0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.076 -0.312 -1.854 1.00 0.00 H new ATOM 0 HG13 VAL A 108 5.775 0.058 -1.473 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.249 2.730 -0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.519 2.432 -1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.351 3.752 -1.523 1.00 0.00 H new ATOM 1432 N ALA A 109 5.196 -0.031 -4.931 1.00 0.00 N ATOM 1433 CA ALA A 109 4.826 -1.236 -5.646 1.00 0.00 C ATOM 1434 C ALA A 109 5.448 -2.448 -4.968 1.00 0.00 C ATOM 1435 O ALA A 109 6.571 -2.377 -4.474 1.00 0.00 O ATOM 1436 CB ALA A 109 5.291 -1.130 -7.096 1.00 0.00 C ATOM 0 H ALA A 109 6.121 0.330 -5.166 1.00 0.00 H new ATOM 0 HA ALA A 109 3.742 -1.353 -5.634 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.013 -2.036 -7.634 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.819 -0.268 -7.568 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.374 -1.010 -7.123 1.00 0.00 H new ATOM 1442 N ILE A 110 4.715 -3.564 -4.945 1.00 0.00 N ATOM 1443 CA ILE A 110 5.196 -4.785 -4.331 1.00 0.00 C ATOM 1444 C ILE A 110 5.469 -5.829 -5.404 1.00 0.00 C ATOM 1445 O ILE A 110 5.095 -5.645 -6.561 1.00 0.00 O ATOM 1446 CB ILE A 110 4.160 -5.293 -3.332 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.306 -4.126 -2.845 1.00 0.00 C ATOM 1448 CG2 ILE A 110 4.871 -5.934 -2.143 1.00 0.00 C ATOM 1449 CD1 ILE A 110 2.668 -4.486 -1.507 1.00 0.00 C ATOM 0 H ILE A 110 3.782 -3.638 -5.350 1.00 0.00 H new ATOM 0 HA ILE A 110 6.127 -4.588 -3.800 1.00 0.00 H new ATOM 0 HB ILE A 110 3.522 -6.032 -3.816 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.920 -3.232 -2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.533 -3.896 -3.578 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.131 -6.297 -1.429 1.00 0.00 H new ATOM 0 HG22 ILE A 110 5.480 -6.768 -2.490 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.510 -5.195 -1.659 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.058 -3.653 -1.159 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.041 -5.369 -1.629 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.449 -4.694 -0.776 1.00 0.00 H new ATOM 1461 N SER A 111 6.123 -6.927 -5.020 1.00 0.00 N ATOM 1462 CA SER A 111 6.440 -7.992 -5.950 1.00 0.00 C ATOM 1463 C SER A 111 6.754 -9.270 -5.185 1.00 0.00 C ATOM 1464 O SER A 111 7.590 -9.268 -4.284 1.00 0.00 O ATOM 1465 CB SER A 111 7.626 -7.574 -6.814 1.00 0.00 C ATOM 1466 OG SER A 111 7.301 -7.751 -8.175 1.00 0.00 O ATOM 0 H SER A 111 6.441 -7.094 -4.065 1.00 0.00 H new ATOM 0 HA SER A 111 5.584 -8.182 -6.597 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.880 -6.531 -6.622 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.503 -8.168 -6.558 1.00 0.00 H new ATOM 0 HG SER A 111 8.062 -7.481 -8.731 1.00 0.00 H new ATOM 1472 N PHE A 112 6.080 -10.365 -5.546 1.00 0.00 N ATOM 1473 CA PHE A 112 6.293 -11.641 -4.894 1.00 0.00 C ATOM 1474 C PHE A 112 7.223 -12.503 -5.735 1.00 0.00 C ATOM 1475 O PHE A 112 6.889 -12.864 -6.861 1.00 0.00 O ATOM 1476 CB PHE A 112 4.949 -12.335 -4.688 1.00 0.00 C ATOM 1477 CG PHE A 112 4.167 -11.799 -3.513 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.754 -10.461 -3.500 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.857 -12.638 -2.437 1.00 0.00 C ATOM 1480 CE1 PHE A 112 3.030 -9.963 -2.410 1.00 0.00 C ATOM 1481 CE2 PHE A 112 3.133 -12.140 -1.347 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.720 -10.802 -1.333 1.00 0.00 C ATOM 0 H PHE A 112 5.382 -10.384 -6.290 1.00 0.00 H new ATOM 0 HA PHE A 112 6.759 -11.484 -3.921 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.351 -12.226 -5.592 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.119 -13.402 -4.545 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.994 -9.813 -4.330 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.176 -13.670 -2.447 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.711 -8.931 -2.400 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.893 -12.788 -0.517 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.163 -10.417 -0.492 1.00 0.00 H new ATOM 1492 N ASN A 113 8.394 -12.833 -5.185 1.00 0.00 N ATOM 1493 CA ASN A 113 9.363 -13.650 -5.887 1.00 0.00 C ATOM 1494 C ASN A 113 10.736 -13.491 -5.249 1.00 0.00 C ATOM 1495 O ASN A 113 10.987 -14.022 -4.170 1.00 0.00 O ATOM 1496 CB ASN A 113 9.400 -13.243 -7.357 1.00 0.00 C ATOM 1497 CG ASN A 113 9.443 -11.728 -7.500 1.00 0.00 C ATOM 1498 OD1 ASN A 113 10.509 -11.124 -7.404 1.00 0.00 O ATOM 1499 ND2 ASN A 113 8.280 -11.115 -7.732 1.00 0.00 N ATOM 0 H ASN A 113 8.686 -12.542 -4.252 1.00 0.00 H new ATOM 0 HA ASN A 113 9.074 -14.699 -5.820 1.00 0.00 H new ATOM 0 HB2 ASN A 113 10.274 -13.683 -7.838 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.522 -13.636 -7.870 1.00 0.00 H new ATOM 0 HD21 ASN A 113 8.250 -10.101 -7.838 1.00 0.00 H new ATOM 0 HD22 ASN A 113 7.421 -11.661 -7.803 1.00 0.00 H new