USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 911 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 99 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 118 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 110 THR OG1 : rot 150:sc= 0 USER MOD Set 3.1: A 41 ASN : amide:sc= -3.59 K(o=-4.9,f=-5.4!) USER MOD Set 3.2: A 44 SER OG : rot 180:sc= -1.28 USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0994 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=0.000381 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.578 X(o=-0.58,f=-0.38) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -95:sc= 0.303 USER MOD Single : A 20 THR OG1 : rot 46:sc= 0.269 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0251 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.931 X(o=-0.93,f=-1.3) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -170:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0202 USER MOD Single : A 56 THR OG1 : rot -61:sc= 0.451 USER MOD Single : A 57 GLN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0167 USER MOD Single : A 64 TYR OH : rot 30:sc= -0.431 USER MOD Single : A 68 HIS : no HD1:sc= -0.886 K(o=-0.89,f=-2.3!) USER MOD Single : A 70 LYS NZ :NH3+ 147:sc= -0.0684 (180deg=-1.72) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 177:sc= -0.0115 (180deg=-0.0321) USER MOD Single : A 79 THR OG1 : rot 15:sc= 0.907 USER MOD Single : A 83 ASN : amide:sc=-0.00386 X(o=-0.0039,f=-0.0039) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 16:sc= 0.679 USER MOD Single : A 97 GLN : amide:sc= -1.59! C(o=-1.6!,f=-1.8!) USER MOD Single : A 98 TYR OH : rot 130:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -9.95! C(o=-9.9!,f=-15!) USER MOD Single : A 103 SER OG : rot 180:sc=-0.00918 USER MOD Single : A 105 MET CE :methyl -111:sc= -3.02! (180deg=-8.48!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.00503 USER MOD Single : A 108 ASN : amide:sc= -2.73! C(o=-2.7!,f=-2.8!) USER MOD Single : A 114 SER OG : rot -88:sc= 0.957 USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.0061 USER MOD Single : A 124 ASN : amide:sc= -0.0284 K(o=-0.028,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 78.266 12.279 38.298 1.00 0.00 N ATOM 2 CA GLY A 1 77.013 11.870 37.690 1.00 0.00 C ATOM 3 C GLY A 1 75.814 12.550 38.320 1.00 0.00 C ATOM 4 O GLY A 1 75.928 13.172 39.376 1.00 0.00 O ATOM 0 H1 GLY A 1 78.819 12.835 37.614 1.00 0.00 H new ATOM 0 H2 GLY A 1 78.071 12.859 39.139 1.00 0.00 H new ATOM 0 H3 GLY A 1 78.808 11.436 38.577 1.00 0.00 H new ATOM 0 HA2 GLY A 1 77.038 12.098 36.625 1.00 0.00 H new ATOM 0 HA3 GLY A 1 76.904 10.789 37.782 1.00 0.00 H new ATOM 8 N SER A 2 74.660 12.434 37.670 1.00 0.00 N ATOM 9 CA SER A 2 73.436 13.048 38.171 1.00 0.00 C ATOM 10 C SER A 2 72.205 12.363 37.583 1.00 0.00 C ATOM 11 O SER A 2 72.320 11.476 36.738 1.00 0.00 O ATOM 12 CB SER A 2 73.413 14.540 37.833 1.00 0.00 C ATOM 13 OG SER A 2 72.557 15.249 38.712 1.00 0.00 O ATOM 0 H SER A 2 74.547 11.921 36.796 1.00 0.00 H new ATOM 0 HA SER A 2 73.415 12.928 39.254 1.00 0.00 H new ATOM 0 HB2 SER A 2 74.422 14.946 37.897 1.00 0.00 H new ATOM 0 HB3 SER A 2 73.079 14.678 36.805 1.00 0.00 H new ATOM 0 HG SER A 2 72.561 16.200 38.476 1.00 0.00 H new ATOM 19 N SER A 3 71.029 12.782 38.037 1.00 0.00 N ATOM 20 CA SER A 3 69.776 12.208 37.560 1.00 0.00 C ATOM 21 C SER A 3 68.705 13.285 37.416 1.00 0.00 C ATOM 22 O SER A 3 68.917 14.440 37.782 1.00 0.00 O ATOM 23 CB SER A 3 69.293 11.118 38.519 1.00 0.00 C ATOM 24 OG SER A 3 69.078 11.640 39.818 1.00 0.00 O ATOM 0 H SER A 3 70.917 13.517 38.735 1.00 0.00 H new ATOM 0 HA SER A 3 69.957 11.767 36.580 1.00 0.00 H new ATOM 0 HB2 SER A 3 68.368 10.681 38.142 1.00 0.00 H new ATOM 0 HB3 SER A 3 70.030 10.316 38.563 1.00 0.00 H new ATOM 0 HG SER A 3 68.768 10.924 40.411 1.00 0.00 H new ATOM 30 N GLY A 4 67.553 12.896 36.877 1.00 0.00 N ATOM 31 CA GLY A 4 66.465 13.839 36.693 1.00 0.00 C ATOM 32 C GLY A 4 65.107 13.165 36.700 1.00 0.00 C ATOM 33 O GLY A 4 64.998 11.976 36.999 1.00 0.00 O ATOM 0 H GLY A 4 67.354 11.946 36.565 1.00 0.00 H new ATOM 0 HA2 GLY A 4 66.500 14.588 37.484 1.00 0.00 H new ATOM 0 HA3 GLY A 4 66.601 14.366 35.749 1.00 0.00 H new ATOM 37 N SER A 5 64.069 13.928 36.371 1.00 0.00 N ATOM 38 CA SER A 5 62.710 13.399 36.346 1.00 0.00 C ATOM 39 C SER A 5 61.733 14.438 35.805 1.00 0.00 C ATOM 40 O SER A 5 62.036 15.630 35.765 1.00 0.00 O ATOM 41 CB SER A 5 62.284 12.963 37.749 1.00 0.00 C ATOM 42 OG SER A 5 62.484 14.005 38.689 1.00 0.00 O ATOM 0 H SER A 5 64.143 14.913 36.118 1.00 0.00 H new ATOM 0 HA SER A 5 62.695 12.533 35.684 1.00 0.00 H new ATOM 0 HB2 SER A 5 61.233 12.674 37.740 1.00 0.00 H new ATOM 0 HB3 SER A 5 62.854 12.084 38.049 1.00 0.00 H new ATOM 0 HG SER A 5 62.203 13.702 39.578 1.00 0.00 H new ATOM 48 N SER A 6 60.558 13.975 35.389 1.00 0.00 N ATOM 49 CA SER A 6 59.536 14.863 34.846 1.00 0.00 C ATOM 50 C SER A 6 58.181 14.165 34.797 1.00 0.00 C ATOM 51 O SER A 6 58.056 12.999 35.170 1.00 0.00 O ATOM 52 CB SER A 6 59.931 15.333 33.444 1.00 0.00 C ATOM 53 OG SER A 6 60.329 14.241 32.633 1.00 0.00 O ATOM 0 H SER A 6 60.290 12.991 35.418 1.00 0.00 H new ATOM 0 HA SER A 6 59.456 15.729 35.503 1.00 0.00 H new ATOM 0 HB2 SER A 6 59.090 15.848 32.979 1.00 0.00 H new ATOM 0 HB3 SER A 6 60.746 16.053 33.515 1.00 0.00 H new ATOM 0 HG SER A 6 60.575 14.568 31.742 1.00 0.00 H new ATOM 59 N GLY A 7 57.166 14.888 34.334 1.00 0.00 N ATOM 60 CA GLY A 7 55.832 14.323 34.244 1.00 0.00 C ATOM 61 C GLY A 7 55.108 14.744 32.981 1.00 0.00 C ATOM 62 O GLY A 7 55.658 15.470 32.154 1.00 0.00 O ATOM 0 H GLY A 7 57.244 15.855 34.020 1.00 0.00 H new ATOM 0 HA2 GLY A 7 55.899 13.235 34.276 1.00 0.00 H new ATOM 0 HA3 GLY A 7 55.251 14.632 35.113 1.00 0.00 H new ATOM 66 N ASN A 8 53.869 14.285 32.829 1.00 0.00 N ATOM 67 CA ASN A 8 53.069 14.616 31.656 1.00 0.00 C ATOM 68 C ASN A 8 51.581 14.452 31.948 1.00 0.00 C ATOM 69 O ASN A 8 51.198 13.910 32.985 1.00 0.00 O ATOM 70 CB ASN A 8 53.469 13.731 30.474 1.00 0.00 C ATOM 71 CG ASN A 8 54.620 14.315 29.678 1.00 0.00 C ATOM 72 OD1 ASN A 8 55.636 13.654 29.459 1.00 0.00 O ATOM 73 ND2 ASN A 8 54.467 15.559 29.241 1.00 0.00 N ATOM 0 H ASN A 8 53.398 13.683 33.504 1.00 0.00 H new ATOM 0 HA ASN A 8 53.258 15.659 31.401 1.00 0.00 H new ATOM 0 HB2 ASN A 8 53.749 12.744 30.841 1.00 0.00 H new ATOM 0 HB3 ASN A 8 52.609 13.595 29.818 1.00 0.00 H new ATOM 0 HD21 ASN A 8 55.208 16.004 28.700 1.00 0.00 H new ATOM 0 HD22 ASN A 8 53.608 16.070 29.446 1.00 0.00 H new ATOM 80 N ARG A 9 50.747 14.924 31.027 1.00 0.00 N ATOM 81 CA ARG A 9 49.301 14.831 31.186 1.00 0.00 C ATOM 82 C ARG A 9 48.615 14.666 29.833 1.00 0.00 C ATOM 83 O ARG A 9 49.254 14.766 28.786 1.00 0.00 O ATOM 84 CB ARG A 9 48.763 16.075 31.895 1.00 0.00 C ATOM 85 CG ARG A 9 49.004 17.365 31.128 1.00 0.00 C ATOM 86 CD ARG A 9 49.099 18.560 32.064 1.00 0.00 C ATOM 87 NE ARG A 9 50.194 18.421 33.020 1.00 0.00 N ATOM 88 CZ ARG A 9 50.584 19.393 33.837 1.00 0.00 C ATOM 89 NH1 ARG A 9 49.971 20.569 33.814 1.00 0.00 N ATOM 90 NH2 ARG A 9 51.589 19.190 34.680 1.00 0.00 N ATOM 0 H ARG A 9 51.048 15.375 30.163 1.00 0.00 H new ATOM 0 HA ARG A 9 49.083 13.953 31.794 1.00 0.00 H new ATOM 0 HB2 ARG A 9 47.692 15.955 32.059 1.00 0.00 H new ATOM 0 HB3 ARG A 9 49.229 16.153 32.877 1.00 0.00 H new ATOM 0 HG2 ARG A 9 49.924 17.280 30.550 1.00 0.00 H new ATOM 0 HG3 ARG A 9 48.194 17.523 30.416 1.00 0.00 H new ATOM 0 HD2 ARG A 9 49.242 19.468 31.479 1.00 0.00 H new ATOM 0 HD3 ARG A 9 48.159 18.673 32.604 1.00 0.00 H new ATOM 0 HE ARG A 9 50.686 17.529 33.063 1.00 0.00 H new ATOM 0 HH11 ARG A 9 49.198 20.729 33.168 1.00 0.00 H new ATOM 0 HH12 ARG A 9 50.273 21.314 34.442 1.00 0.00 H new ATOM 0 HH21 ARG A 9 52.063 18.287 34.701 1.00 0.00 H new ATOM 0 HH22 ARG A 9 51.888 19.937 35.307 1.00 0.00 H new ATOM 104 N TYR A 10 47.311 14.413 29.864 1.00 0.00 N ATOM 105 CA TYR A 10 46.539 14.231 28.641 1.00 0.00 C ATOM 106 C TYR A 10 45.043 14.340 28.920 1.00 0.00 C ATOM 107 O TYR A 10 44.617 14.393 30.073 1.00 0.00 O ATOM 108 CB TYR A 10 46.854 12.873 28.011 1.00 0.00 C ATOM 109 CG TYR A 10 48.250 12.781 27.437 1.00 0.00 C ATOM 110 CD1 TYR A 10 48.669 13.647 26.434 1.00 0.00 C ATOM 111 CD2 TYR A 10 49.151 11.830 27.899 1.00 0.00 C ATOM 112 CE1 TYR A 10 49.943 13.566 25.906 1.00 0.00 C ATOM 113 CE2 TYR A 10 50.428 11.742 27.379 1.00 0.00 C ATOM 114 CZ TYR A 10 50.819 12.612 26.382 1.00 0.00 C ATOM 115 OH TYR A 10 52.089 12.529 25.861 1.00 0.00 O ATOM 0 H TYR A 10 46.767 14.329 30.723 1.00 0.00 H new ATOM 0 HA TYR A 10 46.819 15.021 27.944 1.00 0.00 H new ATOM 0 HB2 TYR A 10 46.728 12.095 28.764 1.00 0.00 H new ATOM 0 HB3 TYR A 10 46.131 12.672 27.220 1.00 0.00 H new ATOM 0 HD1 TYR A 10 47.987 14.396 26.061 1.00 0.00 H new ATOM 0 HD2 TYR A 10 48.848 11.147 28.679 1.00 0.00 H new ATOM 0 HE1 TYR A 10 50.252 14.245 25.125 1.00 0.00 H new ATOM 0 HE2 TYR A 10 51.116 10.997 27.751 1.00 0.00 H new ATOM 0 HH TYR A 10 52.578 11.806 26.306 1.00 0.00 H new ATOM 125 N GLY A 11 44.249 14.372 27.853 1.00 0.00 N ATOM 126 CA GLY A 11 42.810 14.474 28.003 1.00 0.00 C ATOM 127 C GLY A 11 42.066 14.072 26.744 1.00 0.00 C ATOM 128 O GLY A 11 42.496 14.357 25.626 1.00 0.00 O ATOM 0 H GLY A 11 44.577 14.329 26.888 1.00 0.00 H new ATOM 0 HA2 GLY A 11 42.488 13.841 28.830 1.00 0.00 H new ATOM 0 HA3 GLY A 11 42.547 15.499 28.265 1.00 0.00 H new ATOM 132 N PRO A 12 40.923 13.393 26.919 1.00 0.00 N ATOM 133 CA PRO A 12 40.095 12.936 25.799 1.00 0.00 C ATOM 134 C PRO A 12 39.412 14.091 25.074 1.00 0.00 C ATOM 135 O PRO A 12 39.557 15.250 25.458 1.00 0.00 O ATOM 136 CB PRO A 12 39.054 12.037 26.471 1.00 0.00 C ATOM 137 CG PRO A 12 38.970 12.536 27.872 1.00 0.00 C ATOM 138 CD PRO A 12 40.351 13.019 28.223 1.00 0.00 C ATOM 0 HA PRO A 12 40.686 12.430 25.035 1.00 0.00 H new ATOM 0 HB2 PRO A 12 38.089 12.104 25.968 1.00 0.00 H new ATOM 0 HB3 PRO A 12 39.357 10.990 26.441 1.00 0.00 H new ATOM 0 HG2 PRO A 12 38.241 13.342 27.956 1.00 0.00 H new ATOM 0 HG3 PRO A 12 38.649 11.745 28.550 1.00 0.00 H new ATOM 0 HD2 PRO A 12 40.318 13.868 28.906 1.00 0.00 H new ATOM 0 HD3 PRO A 12 40.937 12.240 28.711 1.00 0.00 H new ATOM 146 N GLY A 13 38.667 13.766 24.022 1.00 0.00 N ATOM 147 CA GLY A 13 37.973 14.787 23.260 1.00 0.00 C ATOM 148 C GLY A 13 36.466 14.628 23.315 1.00 0.00 C ATOM 149 O GLY A 13 35.876 13.945 22.477 1.00 0.00 O ATOM 0 H GLY A 13 38.532 12.813 23.684 1.00 0.00 H new ATOM 0 HA2 GLY A 13 38.246 15.770 23.643 1.00 0.00 H new ATOM 0 HA3 GLY A 13 38.302 14.747 22.222 1.00 0.00 H new ATOM 153 N VAL A 14 35.841 15.259 24.304 1.00 0.00 N ATOM 154 CA VAL A 14 34.394 15.183 24.465 1.00 0.00 C ATOM 155 C VAL A 14 33.676 15.648 23.203 1.00 0.00 C ATOM 156 O VAL A 14 34.229 16.403 22.404 1.00 0.00 O ATOM 157 CB VAL A 14 33.917 16.034 25.657 1.00 0.00 C ATOM 158 CG1 VAL A 14 34.562 15.554 26.948 1.00 0.00 C ATOM 159 CG2 VAL A 14 34.219 17.505 25.416 1.00 0.00 C ATOM 0 H VAL A 14 36.314 15.828 25.006 1.00 0.00 H new ATOM 0 HA VAL A 14 34.150 14.137 24.654 1.00 0.00 H new ATOM 0 HB VAL A 14 32.837 15.919 25.754 1.00 0.00 H new ATOM 0 HG11 VAL A 14 34.213 16.167 27.779 1.00 0.00 H new ATOM 0 HG12 VAL A 14 34.290 14.513 27.126 1.00 0.00 H new ATOM 0 HG13 VAL A 14 35.646 15.637 26.866 1.00 0.00 H new ATOM 0 HG21 VAL A 14 33.875 18.091 26.268 1.00 0.00 H new ATOM 0 HG22 VAL A 14 35.293 17.640 25.292 1.00 0.00 H new ATOM 0 HG23 VAL A 14 33.705 17.839 24.515 1.00 0.00 H new ATOM 169 N SER A 15 32.439 15.192 23.031 1.00 0.00 N ATOM 170 CA SER A 15 31.645 15.559 21.864 1.00 0.00 C ATOM 171 C SER A 15 30.171 15.233 22.085 1.00 0.00 C ATOM 172 O SER A 15 29.830 14.336 22.858 1.00 0.00 O ATOM 173 CB SER A 15 32.159 14.829 20.621 1.00 0.00 C ATOM 174 OG SER A 15 31.665 15.429 19.436 1.00 0.00 O ATOM 0 H SER A 15 31.965 14.568 23.684 1.00 0.00 H new ATOM 0 HA SER A 15 31.743 16.634 21.712 1.00 0.00 H new ATOM 0 HB2 SER A 15 33.249 14.843 20.612 1.00 0.00 H new ATOM 0 HB3 SER A 15 31.854 13.783 20.657 1.00 0.00 H new ATOM 0 HG SER A 15 32.009 14.945 18.656 1.00 0.00 H new ATOM 180 N THR A 16 29.299 15.968 21.402 1.00 0.00 N ATOM 181 CA THR A 16 27.862 15.759 21.524 1.00 0.00 C ATOM 182 C THR A 16 27.108 16.458 20.399 1.00 0.00 C ATOM 183 O THR A 16 27.240 17.667 20.207 1.00 0.00 O ATOM 184 CB THR A 16 27.333 16.271 22.877 1.00 0.00 C ATOM 185 OG1 THR A 16 25.957 15.905 23.035 1.00 0.00 O ATOM 186 CG2 THR A 16 27.476 17.782 22.977 1.00 0.00 C ATOM 0 H THR A 16 29.563 16.714 20.758 1.00 0.00 H new ATOM 0 HA THR A 16 27.692 14.684 21.459 1.00 0.00 H new ATOM 0 HB THR A 16 27.924 15.813 23.670 1.00 0.00 H new ATOM 0 HG1 THR A 16 25.386 16.648 22.747 1.00 0.00 H new ATOM 0 HG21 THR A 16 27.096 18.120 23.941 1.00 0.00 H new ATOM 0 HG22 THR A 16 28.527 18.055 22.885 1.00 0.00 H new ATOM 0 HG23 THR A 16 26.907 18.255 22.176 1.00 0.00 H new ATOM 194 N ASP A 17 26.317 15.690 19.657 1.00 0.00 N ATOM 195 CA ASP A 17 25.539 16.237 18.551 1.00 0.00 C ATOM 196 C ASP A 17 24.044 16.122 18.830 1.00 0.00 C ATOM 197 O ASP A 17 23.418 15.111 18.511 1.00 0.00 O ATOM 198 CB ASP A 17 25.885 15.512 17.249 1.00 0.00 C ATOM 199 CG ASP A 17 25.337 16.223 16.028 1.00 0.00 C ATOM 200 OD1 ASP A 17 25.254 17.469 16.054 1.00 0.00 O ATOM 201 OD2 ASP A 17 24.990 15.534 15.045 1.00 0.00 O ATOM 0 H ASP A 17 26.198 14.687 19.801 1.00 0.00 H new ATOM 0 HA ASP A 17 25.791 17.292 18.448 1.00 0.00 H new ATOM 0 HB2 ASP A 17 26.968 15.427 17.161 1.00 0.00 H new ATOM 0 HB3 ASP A 17 25.487 14.498 17.284 1.00 0.00 H new ATOM 206 N ASP A 18 23.477 17.165 19.427 1.00 0.00 N ATOM 207 CA ASP A 18 22.055 17.182 19.748 1.00 0.00 C ATOM 208 C ASP A 18 21.246 17.786 18.604 1.00 0.00 C ATOM 209 O ASP A 18 21.085 19.004 18.520 1.00 0.00 O ATOM 210 CB ASP A 18 21.811 17.973 21.035 1.00 0.00 C ATOM 211 CG ASP A 18 22.128 17.166 22.279 1.00 0.00 C ATOM 212 OD1 ASP A 18 23.324 17.034 22.612 1.00 0.00 O ATOM 213 OD2 ASP A 18 21.179 16.668 22.920 1.00 0.00 O ATOM 0 H ASP A 18 23.981 18.009 19.698 1.00 0.00 H new ATOM 0 HA ASP A 18 21.729 16.153 19.895 1.00 0.00 H new ATOM 0 HB2 ASP A 18 22.423 18.875 21.025 1.00 0.00 H new ATOM 0 HB3 ASP A 18 20.770 18.294 21.069 1.00 0.00 H new ATOM 218 N ILE A 19 20.740 16.926 17.726 1.00 0.00 N ATOM 219 CA ILE A 19 19.949 17.375 16.588 1.00 0.00 C ATOM 220 C ILE A 19 18.676 18.078 17.046 1.00 0.00 C ATOM 221 O ILE A 19 17.790 17.460 17.638 1.00 0.00 O ATOM 222 CB ILE A 19 19.569 16.200 15.667 1.00 0.00 C ATOM 223 CG1 ILE A 19 19.062 15.018 16.496 1.00 0.00 C ATOM 224 CG2 ILE A 19 20.762 15.786 14.819 1.00 0.00 C ATOM 225 CD1 ILE A 19 18.213 14.047 15.706 1.00 0.00 C ATOM 0 H ILE A 19 20.864 15.915 17.781 1.00 0.00 H new ATOM 0 HA ILE A 19 20.569 18.077 16.031 1.00 0.00 H new ATOM 0 HB ILE A 19 18.769 16.523 15.001 1.00 0.00 H new ATOM 0 HG12 ILE A 19 19.916 14.485 16.914 1.00 0.00 H new ATOM 0 HG13 ILE A 19 18.480 15.397 17.336 1.00 0.00 H new ATOM 0 HG21 ILE A 19 20.479 14.955 14.173 1.00 0.00 H new ATOM 0 HG22 ILE A 19 21.083 16.628 14.206 1.00 0.00 H new ATOM 0 HG23 ILE A 19 21.581 15.478 15.469 1.00 0.00 H new ATOM 0 HD11 ILE A 19 17.888 13.235 16.356 1.00 0.00 H new ATOM 0 HD12 ILE A 19 17.340 14.566 15.310 1.00 0.00 H new ATOM 0 HD13 ILE A 19 18.798 13.640 14.881 1.00 0.00 H new ATOM 237 N THR A 20 18.590 19.376 16.768 1.00 0.00 N ATOM 238 CA THR A 20 17.425 20.164 17.151 1.00 0.00 C ATOM 239 C THR A 20 16.913 20.994 15.979 1.00 0.00 C ATOM 240 O THR A 20 17.558 21.953 15.557 1.00 0.00 O ATOM 241 CB THR A 20 17.745 21.103 18.330 1.00 0.00 C ATOM 242 OG1 THR A 20 18.951 21.828 18.065 1.00 0.00 O ATOM 243 CG2 THR A 20 17.894 20.316 19.623 1.00 0.00 C ATOM 0 H THR A 20 19.313 19.903 16.279 1.00 0.00 H new ATOM 0 HA THR A 20 16.653 19.458 17.457 1.00 0.00 H new ATOM 0 HB THR A 20 16.918 21.804 18.443 1.00 0.00 H new ATOM 0 HG1 THR A 20 18.926 22.182 17.152 1.00 0.00 H new ATOM 0 HG21 THR A 20 18.120 21.000 20.441 1.00 0.00 H new ATOM 0 HG22 THR A 20 16.965 19.788 19.837 1.00 0.00 H new ATOM 0 HG23 THR A 20 18.705 19.595 19.519 1.00 0.00 H new ATOM 251 N VAL A 21 15.749 20.619 15.459 1.00 0.00 N ATOM 252 CA VAL A 21 15.149 21.330 14.336 1.00 0.00 C ATOM 253 C VAL A 21 13.696 21.687 14.625 1.00 0.00 C ATOM 254 O VAL A 21 12.862 20.809 14.848 1.00 0.00 O ATOM 255 CB VAL A 21 15.215 20.496 13.043 1.00 0.00 C ATOM 256 CG1 VAL A 21 14.578 21.251 11.887 1.00 0.00 C ATOM 257 CG2 VAL A 21 16.655 20.126 12.721 1.00 0.00 C ATOM 0 H VAL A 21 15.202 19.827 15.797 1.00 0.00 H new ATOM 0 HA VAL A 21 15.724 22.246 14.198 1.00 0.00 H new ATOM 0 HB VAL A 21 14.653 19.575 13.196 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.634 20.646 10.982 1.00 0.00 H new ATOM 0 HG12 VAL A 21 13.534 21.459 12.120 1.00 0.00 H new ATOM 0 HG13 VAL A 21 15.109 22.190 11.729 1.00 0.00 H new ATOM 0 HG21 VAL A 21 16.683 19.537 11.804 1.00 0.00 H new ATOM 0 HG22 VAL A 21 17.243 21.034 12.587 1.00 0.00 H new ATOM 0 HG23 VAL A 21 17.073 19.541 13.541 1.00 0.00 H new ATOM 267 N VAL A 22 13.397 22.982 14.618 1.00 0.00 N ATOM 268 CA VAL A 22 12.043 23.456 14.878 1.00 0.00 C ATOM 269 C VAL A 22 11.352 23.879 13.586 1.00 0.00 C ATOM 270 O VAL A 22 11.466 25.026 13.153 1.00 0.00 O ATOM 271 CB VAL A 22 12.042 24.643 15.860 1.00 0.00 C ATOM 272 CG1 VAL A 22 13.149 25.626 15.510 1.00 0.00 C ATOM 273 CG2 VAL A 22 10.686 25.333 15.860 1.00 0.00 C ATOM 0 H VAL A 22 14.075 23.722 14.435 1.00 0.00 H new ATOM 0 HA VAL A 22 11.497 22.625 15.324 1.00 0.00 H new ATOM 0 HB VAL A 22 12.231 24.262 16.864 1.00 0.00 H new ATOM 0 HG11 VAL A 22 13.133 26.458 16.214 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.114 25.122 15.565 1.00 0.00 H new ATOM 0 HG13 VAL A 22 12.994 26.003 14.499 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.703 26.169 16.559 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.466 25.702 14.858 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.916 24.623 16.162 1.00 0.00 H new ATOM 283 N THR A 23 10.632 22.944 12.974 1.00 0.00 N ATOM 284 CA THR A 23 9.921 23.218 11.731 1.00 0.00 C ATOM 285 C THR A 23 8.542 22.570 11.732 1.00 0.00 C ATOM 286 O THR A 23 8.301 21.600 12.451 1.00 0.00 O ATOM 287 CB THR A 23 10.712 22.715 10.509 1.00 0.00 C ATOM 288 OG1 THR A 23 10.042 23.093 9.302 1.00 0.00 O ATOM 289 CG2 THR A 23 10.874 21.203 10.554 1.00 0.00 C ATOM 0 H THR A 23 10.526 21.990 13.319 1.00 0.00 H new ATOM 0 HA THR A 23 9.810 24.300 11.662 1.00 0.00 H new ATOM 0 HB THR A 23 11.702 23.171 10.532 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.552 22.771 8.530 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.436 20.871 9.681 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.411 20.921 11.460 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.891 20.732 10.554 1.00 0.00 H new ATOM 297 N LEU A 24 7.639 23.110 10.920 1.00 0.00 N ATOM 298 CA LEU A 24 6.282 22.582 10.826 1.00 0.00 C ATOM 299 C LEU A 24 6.137 21.664 9.616 1.00 0.00 C ATOM 300 O LEU A 24 6.754 21.891 8.576 1.00 0.00 O ATOM 301 CB LEU A 24 5.274 23.729 10.734 1.00 0.00 C ATOM 302 CG LEU A 24 4.930 24.209 9.324 1.00 0.00 C ATOM 303 CD1 LEU A 24 3.890 23.298 8.689 1.00 0.00 C ATOM 304 CD2 LEU A 24 4.433 25.647 9.356 1.00 0.00 C ATOM 0 H LEU A 24 7.822 23.913 10.318 1.00 0.00 H new ATOM 0 HA LEU A 24 6.081 22.000 11.726 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.352 23.416 11.225 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.664 24.575 11.299 1.00 0.00 H new ATOM 0 HG LEU A 24 5.835 24.172 8.718 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.657 23.655 7.686 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.282 22.283 8.631 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.984 23.303 9.295 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.193 25.972 8.344 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.540 25.710 9.978 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.209 26.291 9.769 1.00 0.00 H new ATOM 316 N SER A 25 5.316 20.629 9.761 1.00 0.00 N ATOM 317 CA SER A 25 5.091 19.676 8.680 1.00 0.00 C ATOM 318 C SER A 25 3.627 19.677 8.251 1.00 0.00 C ATOM 319 O SER A 25 2.804 20.399 8.815 1.00 0.00 O ATOM 320 CB SER A 25 5.505 18.269 9.118 1.00 0.00 C ATOM 321 OG SER A 25 6.900 18.076 8.960 1.00 0.00 O ATOM 0 H SER A 25 4.796 20.429 10.615 1.00 0.00 H new ATOM 0 HA SER A 25 5.701 19.978 7.829 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.229 18.113 10.161 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.963 17.528 8.531 1.00 0.00 H new ATOM 0 HG SER A 25 7.140 17.170 9.248 1.00 0.00 H new ATOM 327 N ASP A 26 3.310 18.863 7.250 1.00 0.00 N ATOM 328 CA ASP A 26 1.946 18.768 6.745 1.00 0.00 C ATOM 329 C ASP A 26 1.400 17.354 6.917 1.00 0.00 C ATOM 330 O ASP A 26 0.815 16.786 5.995 1.00 0.00 O ATOM 331 CB ASP A 26 1.896 19.171 5.270 1.00 0.00 C ATOM 332 CG ASP A 26 2.000 20.671 5.076 1.00 0.00 C ATOM 333 OD1 ASP A 26 1.449 21.416 5.913 1.00 0.00 O ATOM 334 OD2 ASP A 26 2.631 21.099 4.087 1.00 0.00 O ATOM 0 H ASP A 26 3.979 18.260 6.772 1.00 0.00 H new ATOM 0 HA ASP A 26 1.323 19.452 7.322 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.709 18.681 4.735 1.00 0.00 H new ATOM 0 HB3 ASP A 26 0.965 18.814 4.830 1.00 0.00 H new ATOM 339 N VAL A 27 1.595 16.790 8.105 1.00 0.00 N ATOM 340 CA VAL A 27 1.123 15.443 8.399 1.00 0.00 C ATOM 341 C VAL A 27 -0.010 15.468 9.419 1.00 0.00 C ATOM 342 O VAL A 27 -0.143 16.399 10.213 1.00 0.00 O ATOM 343 CB VAL A 27 2.260 14.553 8.933 1.00 0.00 C ATOM 344 CG1 VAL A 27 3.181 14.125 7.800 1.00 0.00 C ATOM 345 CG2 VAL A 27 3.040 15.279 10.019 1.00 0.00 C ATOM 0 H VAL A 27 2.077 17.246 8.880 1.00 0.00 H new ATOM 0 HA VAL A 27 0.755 15.025 7.462 1.00 0.00 H new ATOM 0 HB VAL A 27 1.821 13.657 9.370 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.978 13.497 8.197 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.611 13.563 7.060 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.615 15.008 7.330 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.840 14.635 10.385 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.469 16.193 9.609 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.371 15.530 10.842 1.00 0.00 H new ATOM 355 N PRO A 28 -0.847 14.419 9.400 1.00 0.00 N ATOM 356 CA PRO A 28 -1.983 14.297 10.319 1.00 0.00 C ATOM 357 C PRO A 28 -1.542 14.044 11.756 1.00 0.00 C ATOM 358 O PRO A 28 -0.384 13.712 12.011 1.00 0.00 O ATOM 359 CB PRO A 28 -2.750 13.089 9.774 1.00 0.00 C ATOM 360 CG PRO A 28 -1.726 12.284 9.052 1.00 0.00 C ATOM 361 CD PRO A 28 -0.748 13.273 8.481 1.00 0.00 C ATOM 0 HA PRO A 28 -2.574 15.212 10.361 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.209 12.515 10.579 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.553 13.399 9.106 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.228 11.589 9.728 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.184 11.688 8.263 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.263 12.867 8.452 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.009 13.553 7.460 1.00 0.00 H new ATOM 369 N SER A 29 -2.472 14.201 12.692 1.00 0.00 N ATOM 370 CA SER A 29 -2.178 13.993 14.105 1.00 0.00 C ATOM 371 C SER A 29 -3.175 13.022 14.730 1.00 0.00 C ATOM 372 O SER A 29 -3.515 13.137 15.908 1.00 0.00 O ATOM 373 CB SER A 29 -2.206 15.325 14.856 1.00 0.00 C ATOM 374 OG SER A 29 -1.364 15.287 15.995 1.00 0.00 O ATOM 0 H SER A 29 -3.436 14.472 12.497 1.00 0.00 H new ATOM 0 HA SER A 29 -1.180 13.562 14.183 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.887 16.128 14.191 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.227 15.552 15.162 1.00 0.00 H new ATOM 0 HG SER A 29 -1.399 16.151 16.456 1.00 0.00 H new ATOM 380 N ALA A 30 -3.640 12.066 13.933 1.00 0.00 N ATOM 381 CA ALA A 30 -4.597 11.074 14.407 1.00 0.00 C ATOM 382 C ALA A 30 -4.581 9.830 13.525 1.00 0.00 C ATOM 383 O ALA A 30 -4.763 9.900 12.310 1.00 0.00 O ATOM 384 CB ALA A 30 -5.996 11.671 14.456 1.00 0.00 C ATOM 0 H ALA A 30 -3.369 11.957 12.956 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.305 10.777 15.414 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.700 10.919 14.812 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.004 12.525 15.134 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.287 11.998 13.458 1.00 0.00 H new ATOM 390 N PRO A 31 -4.357 8.664 14.149 1.00 0.00 N ATOM 391 CA PRO A 31 -4.312 7.383 13.439 1.00 0.00 C ATOM 392 C PRO A 31 -5.682 6.956 12.924 1.00 0.00 C ATOM 393 O PRO A 31 -6.715 7.506 13.309 1.00 0.00 O ATOM 394 CB PRO A 31 -3.813 6.404 14.505 1.00 0.00 C ATOM 395 CG PRO A 31 -4.212 7.020 15.801 1.00 0.00 C ATOM 396 CD PRO A 31 -4.131 8.507 15.596 1.00 0.00 C ATOM 0 HA PRO A 31 -3.678 7.431 12.553 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.263 5.419 14.380 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.733 6.271 14.446 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.221 6.719 16.081 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.549 6.700 16.605 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.885 9.035 16.180 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.161 8.902 15.896 1.00 0.00 H new ATOM 404 N PRO A 32 -5.695 5.953 12.034 1.00 0.00 N ATOM 405 CA PRO A 32 -6.933 5.430 11.448 1.00 0.00 C ATOM 406 C PRO A 32 -7.779 4.670 12.464 1.00 0.00 C ATOM 407 O PRO A 32 -7.278 4.239 13.502 1.00 0.00 O ATOM 408 CB PRO A 32 -6.435 4.485 10.352 1.00 0.00 C ATOM 409 CG PRO A 32 -5.076 4.070 10.798 1.00 0.00 C ATOM 410 CD PRO A 32 -4.502 5.252 11.531 1.00 0.00 C ATOM 0 HA PRO A 32 -7.579 6.227 11.081 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.095 3.625 10.241 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -6.398 4.985 9.384 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.128 3.196 11.447 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.452 3.798 9.947 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.846 4.941 12.344 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.912 5.887 10.870 1.00 0.00 H new ATOM 418 N GLN A 33 -9.062 4.509 12.157 1.00 0.00 N ATOM 419 CA GLN A 33 -9.976 3.801 13.044 1.00 0.00 C ATOM 420 C GLN A 33 -10.380 2.456 12.449 1.00 0.00 C ATOM 421 O GLN A 33 -9.967 2.106 11.345 1.00 0.00 O ATOM 422 CB GLN A 33 -11.222 4.648 13.311 1.00 0.00 C ATOM 423 CG GLN A 33 -11.031 5.682 14.409 1.00 0.00 C ATOM 424 CD GLN A 33 -12.322 6.385 14.779 1.00 0.00 C ATOM 425 OE1 GLN A 33 -12.503 7.598 14.269 1.00 0.00 O flip ATOM 426 NE2 GLN A 33 -13.148 5.845 15.515 1.00 0.00 N flip ATOM 0 H GLN A 33 -9.492 4.859 11.301 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.459 3.621 13.987 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -11.510 5.156 12.391 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -12.047 3.990 13.583 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.620 5.195 15.294 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.299 6.421 14.083 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.968 4.912 15.885 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -14.012 6.331 15.755 1.00 0.00 H new ATOM 435 N ASN A 34 -11.189 1.706 13.190 1.00 0.00 N ATOM 436 CA ASN A 34 -11.648 0.398 12.735 1.00 0.00 C ATOM 437 C ASN A 34 -10.474 -0.459 12.272 1.00 0.00 C ATOM 438 O ASN A 34 -10.540 -1.109 11.228 1.00 0.00 O ATOM 439 CB ASN A 34 -12.659 0.556 11.598 1.00 0.00 C ATOM 440 CG ASN A 34 -13.297 -0.762 11.204 1.00 0.00 C ATOM 441 OD1 ASN A 34 -13.458 -1.659 12.032 1.00 0.00 O ATOM 442 ND2 ASN A 34 -13.664 -0.885 9.934 1.00 0.00 N ATOM 0 H ASN A 34 -11.540 1.981 14.107 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.131 -0.102 13.574 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.437 1.256 11.902 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.161 0.989 10.730 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.099 -1.749 9.610 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -13.511 -0.115 9.282 1.00 0.00 H new ATOM 449 N VAL A 35 -9.401 -0.457 13.055 1.00 0.00 N ATOM 450 CA VAL A 35 -8.212 -1.235 12.727 1.00 0.00 C ATOM 451 C VAL A 35 -8.265 -2.616 13.371 1.00 0.00 C ATOM 452 O VAL A 35 -7.793 -2.808 14.491 1.00 0.00 O ATOM 453 CB VAL A 35 -6.928 -0.517 13.181 1.00 0.00 C ATOM 454 CG1 VAL A 35 -5.705 -1.373 12.886 1.00 0.00 C ATOM 455 CG2 VAL A 35 -6.812 0.843 12.510 1.00 0.00 C ATOM 0 H VAL A 35 -9.330 0.075 13.922 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.193 -1.343 11.643 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.981 -0.361 14.258 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.807 -0.849 13.214 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.787 -2.321 13.418 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.644 -1.563 11.814 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.899 1.336 12.843 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.781 0.714 11.428 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.673 1.455 12.778 1.00 0.00 H new ATOM 465 N SER A 36 -8.842 -3.576 12.654 1.00 0.00 N ATOM 466 CA SER A 36 -8.959 -4.939 13.157 1.00 0.00 C ATOM 467 C SER A 36 -8.445 -5.943 12.129 1.00 0.00 C ATOM 468 O SER A 36 -8.178 -5.591 10.980 1.00 0.00 O ATOM 469 CB SER A 36 -10.415 -5.252 13.509 1.00 0.00 C ATOM 470 OG SER A 36 -10.888 -4.394 14.533 1.00 0.00 O ATOM 0 H SER A 36 -9.235 -3.434 11.724 1.00 0.00 H new ATOM 0 HA SER A 36 -8.349 -5.022 14.057 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.039 -5.143 12.622 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.499 -6.290 13.832 1.00 0.00 H new ATOM 0 HG SER A 36 -11.821 -4.613 14.738 1.00 0.00 H new ATOM 476 N LEU A 37 -8.309 -7.195 12.552 1.00 0.00 N ATOM 477 CA LEU A 37 -7.827 -8.252 11.669 1.00 0.00 C ATOM 478 C LEU A 37 -8.879 -9.345 11.504 1.00 0.00 C ATOM 479 O LEU A 37 -9.506 -9.768 12.475 1.00 0.00 O ATOM 480 CB LEU A 37 -6.533 -8.853 12.220 1.00 0.00 C ATOM 481 CG LEU A 37 -5.407 -7.863 12.520 1.00 0.00 C ATOM 482 CD1 LEU A 37 -4.253 -8.562 13.221 1.00 0.00 C ATOM 483 CD2 LEU A 37 -4.930 -7.195 11.239 1.00 0.00 C ATOM 0 H LEU A 37 -8.525 -7.503 13.500 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.629 -7.813 10.691 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.769 -9.393 13.137 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.163 -9.587 11.504 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.795 -7.092 13.186 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.462 -7.841 13.426 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.604 -8.992 14.159 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.865 -9.355 12.581 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.129 -6.494 11.471 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.560 -7.953 10.549 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.759 -6.659 10.778 1.00 0.00 H new ATOM 495 N GLU A 38 -9.064 -9.799 10.268 1.00 0.00 N ATOM 496 CA GLU A 38 -10.039 -10.844 9.977 1.00 0.00 C ATOM 497 C GLU A 38 -9.383 -12.010 9.242 1.00 0.00 C ATOM 498 O GLU A 38 -9.054 -11.907 8.060 1.00 0.00 O ATOM 499 CB GLU A 38 -11.188 -10.280 9.139 1.00 0.00 C ATOM 500 CG GLU A 38 -12.454 -11.119 9.201 1.00 0.00 C ATOM 501 CD GLU A 38 -13.575 -10.546 8.355 1.00 0.00 C ATOM 502 OE1 GLU A 38 -13.426 -10.517 7.115 1.00 0.00 O ATOM 503 OE2 GLU A 38 -14.600 -10.127 8.931 1.00 0.00 O ATOM 0 H GLU A 38 -8.552 -9.460 9.453 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.435 -11.211 10.924 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.414 -9.270 9.481 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.865 -10.201 8.101 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.231 -12.132 8.865 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.786 -11.193 10.236 1.00 0.00 H new ATOM 510 N VAL A 39 -9.196 -13.118 9.951 1.00 0.00 N ATOM 511 CA VAL A 39 -8.581 -14.304 9.368 1.00 0.00 C ATOM 512 C VAL A 39 -9.542 -15.013 8.421 1.00 0.00 C ATOM 513 O VAL A 39 -10.394 -15.791 8.851 1.00 0.00 O ATOM 514 CB VAL A 39 -8.127 -15.294 10.457 1.00 0.00 C ATOM 515 CG1 VAL A 39 -7.541 -16.549 9.828 1.00 0.00 C ATOM 516 CG2 VAL A 39 -7.121 -14.636 11.389 1.00 0.00 C ATOM 0 H VAL A 39 -9.462 -13.219 10.931 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.709 -13.965 8.809 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.998 -15.584 11.045 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.226 -17.236 10.613 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.295 -17.030 9.206 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.681 -16.281 9.214 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.811 -15.350 12.152 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.250 -14.316 10.817 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.580 -13.770 11.867 1.00 0.00 H new ATOM 526 N VAL A 40 -9.401 -14.739 7.128 1.00 0.00 N ATOM 527 CA VAL A 40 -10.256 -15.351 6.118 1.00 0.00 C ATOM 528 C VAL A 40 -9.969 -16.843 5.987 1.00 0.00 C ATOM 529 O VAL A 40 -10.878 -17.669 6.063 1.00 0.00 O ATOM 530 CB VAL A 40 -10.070 -14.681 4.744 1.00 0.00 C ATOM 531 CG1 VAL A 40 -10.937 -15.363 3.696 1.00 0.00 C ATOM 532 CG2 VAL A 40 -10.389 -13.196 4.828 1.00 0.00 C ATOM 0 H VAL A 40 -8.702 -14.097 6.755 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.286 -15.209 6.446 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.028 -14.789 4.444 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.793 -14.876 2.731 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.655 -16.413 3.618 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.985 -15.289 3.986 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.252 -12.738 3.848 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.422 -13.063 5.149 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.722 -12.721 5.547 1.00 0.00 H new ATOM 542 N ASN A 41 -8.699 -17.181 5.791 1.00 0.00 N ATOM 543 CA ASN A 41 -8.292 -18.574 5.649 1.00 0.00 C ATOM 544 C ASN A 41 -6.888 -18.790 6.206 1.00 0.00 C ATOM 545 O ASN A 41 -6.242 -17.851 6.670 1.00 0.00 O ATOM 546 CB ASN A 41 -8.339 -18.994 4.178 1.00 0.00 C ATOM 547 CG ASN A 41 -9.705 -18.774 3.558 1.00 0.00 C ATOM 548 OD1 ASN A 41 -10.726 -19.165 4.123 1.00 0.00 O ATOM 549 ND2 ASN A 41 -9.729 -18.145 2.388 1.00 0.00 N ATOM 0 H ASN A 41 -7.934 -16.509 5.727 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.989 -19.190 6.218 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.593 -18.430 3.618 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.070 -20.047 4.095 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.619 -17.969 1.922 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.857 -17.838 1.956 1.00 0.00 H new ATOM 556 N SER A 42 -6.423 -20.035 6.157 1.00 0.00 N ATOM 557 CA SER A 42 -5.097 -20.375 6.660 1.00 0.00 C ATOM 558 C SER A 42 -4.012 -19.675 5.848 1.00 0.00 C ATOM 559 O SER A 42 -2.896 -19.473 6.327 1.00 0.00 O ATOM 560 CB SER A 42 -4.886 -21.890 6.616 1.00 0.00 C ATOM 561 OG SER A 42 -4.910 -22.370 5.282 1.00 0.00 O ATOM 0 H SER A 42 -6.944 -20.824 5.775 1.00 0.00 H new ATOM 0 HA SER A 42 -5.029 -20.035 7.693 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.932 -22.141 7.079 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.663 -22.386 7.198 1.00 0.00 H new ATOM 0 HG SER A 42 -4.932 -23.350 5.287 1.00 0.00 H new ATOM 567 N ARG A 43 -4.348 -19.307 4.616 1.00 0.00 N ATOM 568 CA ARG A 43 -3.403 -18.631 3.736 1.00 0.00 C ATOM 569 C ARG A 43 -4.021 -17.368 3.142 1.00 0.00 C ATOM 570 O ARG A 43 -3.694 -16.973 2.023 1.00 0.00 O ATOM 571 CB ARG A 43 -2.956 -19.570 2.613 1.00 0.00 C ATOM 572 CG ARG A 43 -4.109 -20.245 1.889 1.00 0.00 C ATOM 573 CD ARG A 43 -4.578 -19.422 0.700 1.00 0.00 C ATOM 574 NE ARG A 43 -5.598 -20.119 -0.080 1.00 0.00 N ATOM 575 CZ ARG A 43 -5.840 -19.870 -1.362 1.00 0.00 C ATOM 576 NH1 ARG A 43 -5.139 -18.946 -2.006 1.00 0.00 N ATOM 577 NH2 ARG A 43 -6.784 -20.546 -2.004 1.00 0.00 N ATOM 0 H ARG A 43 -5.268 -19.466 4.205 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.534 -18.346 4.329 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.366 -19.005 1.891 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.302 -20.336 3.030 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.798 -21.233 1.549 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.938 -20.392 2.581 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.978 -18.471 1.052 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.726 -19.192 0.060 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.155 -20.836 0.385 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.412 -18.424 -1.517 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.327 -18.757 -2.991 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.325 -21.258 -1.513 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.969 -20.354 -2.989 1.00 0.00 H new ATOM 591 N SER A 44 -4.916 -16.741 3.898 1.00 0.00 N ATOM 592 CA SER A 44 -5.583 -15.526 3.445 1.00 0.00 C ATOM 593 C SER A 44 -6.055 -14.691 4.631 1.00 0.00 C ATOM 594 O SER A 44 -6.746 -15.190 5.519 1.00 0.00 O ATOM 595 CB SER A 44 -6.771 -15.876 2.548 1.00 0.00 C ATOM 596 OG SER A 44 -6.399 -16.811 1.550 1.00 0.00 O ATOM 0 H SER A 44 -5.196 -17.054 4.827 1.00 0.00 H new ATOM 0 HA SER A 44 -4.865 -14.939 2.872 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.579 -16.288 3.153 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.155 -14.971 2.078 1.00 0.00 H new ATOM 0 HG SER A 44 -7.176 -17.019 0.991 1.00 0.00 H new ATOM 602 N ILE A 45 -5.676 -13.417 4.638 1.00 0.00 N ATOM 603 CA ILE A 45 -6.061 -12.512 5.714 1.00 0.00 C ATOM 604 C ILE A 45 -6.487 -11.155 5.164 1.00 0.00 C ATOM 605 O ILE A 45 -5.723 -10.488 4.466 1.00 0.00 O ATOM 606 CB ILE A 45 -4.911 -12.309 6.717 1.00 0.00 C ATOM 607 CG1 ILE A 45 -4.509 -13.646 7.343 1.00 0.00 C ATOM 608 CG2 ILE A 45 -5.318 -11.315 7.795 1.00 0.00 C ATOM 609 CD1 ILE A 45 -3.171 -13.606 8.047 1.00 0.00 C ATOM 0 H ILE A 45 -5.103 -12.989 3.911 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.904 -12.974 6.229 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.050 -11.905 6.184 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.276 -13.950 8.055 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.478 -14.408 6.564 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.495 -11.182 8.497 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.560 -10.357 7.334 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.191 -11.693 8.327 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.951 -14.588 8.466 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.393 -13.333 7.334 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.204 -12.868 8.849 1.00 0.00 H new ATOM 621 N LYS A 46 -7.711 -10.750 5.485 1.00 0.00 N ATOM 622 CA LYS A 46 -8.239 -9.471 5.027 1.00 0.00 C ATOM 623 C LYS A 46 -8.110 -8.408 6.114 1.00 0.00 C ATOM 624 O LYS A 46 -8.558 -8.605 7.244 1.00 0.00 O ATOM 625 CB LYS A 46 -9.705 -9.619 4.615 1.00 0.00 C ATOM 626 CG LYS A 46 -10.234 -8.441 3.815 1.00 0.00 C ATOM 627 CD LYS A 46 -11.727 -8.565 3.561 1.00 0.00 C ATOM 628 CE LYS A 46 -12.013 -9.343 2.286 1.00 0.00 C ATOM 629 NZ LYS A 46 -13.319 -10.057 2.353 1.00 0.00 N ATOM 0 H LYS A 46 -8.356 -11.290 6.061 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.655 -9.154 4.163 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.818 -10.528 4.025 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.315 -9.743 5.510 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.031 -7.515 4.352 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.706 -8.380 2.863 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -12.201 -9.064 4.407 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -12.169 -7.571 3.489 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -12.016 -8.660 1.437 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.214 -10.064 2.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.477 -10.575 1.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -13.308 -10.727 3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -14.085 -9.367 2.492 1.00 0.00 H new ATOM 643 N VAL A 47 -7.498 -7.282 5.765 1.00 0.00 N ATOM 644 CA VAL A 47 -7.313 -6.187 6.710 1.00 0.00 C ATOM 645 C VAL A 47 -8.068 -4.941 6.262 1.00 0.00 C ATOM 646 O VAL A 47 -7.835 -4.419 5.172 1.00 0.00 O ATOM 647 CB VAL A 47 -5.823 -5.837 6.880 1.00 0.00 C ATOM 648 CG1 VAL A 47 -5.649 -4.717 7.894 1.00 0.00 C ATOM 649 CG2 VAL A 47 -5.031 -7.069 7.292 1.00 0.00 C ATOM 0 H VAL A 47 -7.121 -7.103 4.834 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.710 -6.525 7.667 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.438 -5.489 5.922 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.590 -4.484 8.000 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.183 -3.830 7.552 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.050 -5.033 8.857 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.980 -6.804 7.408 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.416 -7.449 8.238 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.129 -7.838 6.525 1.00 0.00 H new ATOM 659 N SER A 48 -8.975 -4.468 7.111 1.00 0.00 N ATOM 660 CA SER A 48 -9.768 -3.284 6.802 1.00 0.00 C ATOM 661 C SER A 48 -9.420 -2.135 7.744 1.00 0.00 C ATOM 662 O SER A 48 -8.632 -2.299 8.676 1.00 0.00 O ATOM 663 CB SER A 48 -11.261 -3.604 6.899 1.00 0.00 C ATOM 664 OG SER A 48 -11.605 -4.688 6.055 1.00 0.00 O ATOM 0 H SER A 48 -9.179 -4.887 8.018 1.00 0.00 H new ATOM 0 HA SER A 48 -9.535 -2.978 5.782 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.518 -3.846 7.930 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.843 -2.725 6.623 1.00 0.00 H new ATOM 0 HG SER A 48 -12.564 -4.874 6.136 1.00 0.00 H new ATOM 670 N TRP A 49 -10.013 -0.974 7.495 1.00 0.00 N ATOM 671 CA TRP A 49 -9.767 0.203 8.321 1.00 0.00 C ATOM 672 C TRP A 49 -10.733 1.328 7.967 1.00 0.00 C ATOM 673 O TRP A 49 -11.512 1.216 7.020 1.00 0.00 O ATOM 674 CB TRP A 49 -8.324 0.680 8.148 1.00 0.00 C ATOM 675 CG TRP A 49 -7.913 0.821 6.714 1.00 0.00 C ATOM 676 CD1 TRP A 49 -8.059 1.927 5.925 1.00 0.00 C ATOM 677 CD2 TRP A 49 -7.290 -0.177 5.898 1.00 0.00 C ATOM 678 NE1 TRP A 49 -7.564 1.675 4.667 1.00 0.00 N ATOM 679 CE2 TRP A 49 -7.087 0.392 4.625 1.00 0.00 C ATOM 680 CE3 TRP A 49 -6.884 -1.496 6.118 1.00 0.00 C ATOM 681 CZ2 TRP A 49 -6.496 -0.313 3.581 1.00 0.00 C ATOM 682 CZ3 TRP A 49 -6.298 -2.195 5.080 1.00 0.00 C ATOM 683 CH2 TRP A 49 -6.107 -1.603 3.825 1.00 0.00 C ATOM 0 H TRP A 49 -10.668 -0.822 6.728 1.00 0.00 H new ATOM 0 HA TRP A 49 -9.928 -0.075 9.363 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.204 1.641 8.649 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.655 -0.024 8.643 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -8.498 2.861 6.242 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -7.554 2.337 3.891 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -7.026 -1.961 7.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -6.349 0.141 2.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.982 -3.215 5.239 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.644 -2.175 3.035 1.00 0.00 H new ATOM 694 N LEU A 50 -10.676 2.413 8.732 1.00 0.00 N ATOM 695 CA LEU A 50 -11.547 3.560 8.499 1.00 0.00 C ATOM 696 C LEU A 50 -10.790 4.868 8.704 1.00 0.00 C ATOM 697 O LEU A 50 -9.775 4.925 9.398 1.00 0.00 O ATOM 698 CB LEU A 50 -12.757 3.505 9.433 1.00 0.00 C ATOM 699 CG LEU A 50 -13.934 2.654 8.957 1.00 0.00 C ATOM 700 CD1 LEU A 50 -14.906 2.401 10.099 1.00 0.00 C ATOM 701 CD2 LEU A 50 -14.643 3.327 7.791 1.00 0.00 C ATOM 0 H LEU A 50 -10.036 2.522 9.519 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.892 3.519 7.466 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -12.427 3.125 10.400 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.112 4.523 9.595 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.548 1.694 8.616 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -15.737 1.794 9.741 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -14.393 1.875 10.904 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -15.286 3.353 10.471 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -15.478 2.706 7.466 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -15.016 4.302 8.106 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -13.943 3.456 6.965 1.00 0.00 H new ATOM 713 N PRO A 51 -11.296 5.947 8.088 1.00 0.00 N ATOM 714 CA PRO A 51 -10.685 7.276 8.191 1.00 0.00 C ATOM 715 C PRO A 51 -10.837 7.878 9.583 1.00 0.00 C ATOM 716 O PRO A 51 -11.763 7.556 10.328 1.00 0.00 O ATOM 717 CB PRO A 51 -11.460 8.103 7.163 1.00 0.00 C ATOM 718 CG PRO A 51 -12.778 7.418 7.041 1.00 0.00 C ATOM 719 CD PRO A 51 -12.503 5.954 7.245 1.00 0.00 C ATOM 0 HA PRO A 51 -9.610 7.245 8.011 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.579 9.135 7.494 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.940 8.133 6.206 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.482 7.790 7.785 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.223 7.599 6.063 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.338 5.453 7.735 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.335 5.441 6.298 1.00 0.00 H new ATOM 727 N PRO A 52 -9.908 8.775 9.946 1.00 0.00 N ATOM 728 CA PRO A 52 -9.918 9.442 11.251 1.00 0.00 C ATOM 729 C PRO A 52 -11.069 10.433 11.387 1.00 0.00 C ATOM 730 O PRO A 52 -11.747 10.771 10.416 1.00 0.00 O ATOM 731 CB PRO A 52 -8.574 10.174 11.286 1.00 0.00 C ATOM 732 CG PRO A 52 -8.224 10.391 9.855 1.00 0.00 C ATOM 733 CD PRO A 52 -8.776 9.207 9.109 1.00 0.00 C ATOM 0 HA PRO A 52 -10.055 8.735 12.069 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.652 11.120 11.822 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.813 9.581 11.794 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.655 11.321 9.485 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.144 10.466 9.724 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.100 9.480 8.105 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.032 8.418 9.000 1.00 0.00 H new ATOM 741 N PRO A 53 -11.296 10.913 12.619 1.00 0.00 N ATOM 742 CA PRO A 53 -12.364 11.874 12.909 1.00 0.00 C ATOM 743 C PRO A 53 -12.081 13.251 12.319 1.00 0.00 C ATOM 744 O PRO A 53 -10.938 13.577 11.999 1.00 0.00 O ATOM 745 CB PRO A 53 -12.375 11.940 14.439 1.00 0.00 C ATOM 746 CG PRO A 53 -10.995 11.554 14.844 1.00 0.00 C ATOM 747 CD PRO A 53 -10.527 10.555 13.822 1.00 0.00 C ATOM 0 HA PRO A 53 -13.316 11.569 12.474 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.625 12.941 14.790 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.116 11.260 14.859 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.338 12.423 14.869 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -10.989 11.121 15.844 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.453 10.629 13.650 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -10.729 9.532 14.138 1.00 0.00 H new ATOM 755 N SER A 54 -13.130 14.056 12.177 1.00 0.00 N ATOM 756 CA SER A 54 -12.994 15.397 11.621 1.00 0.00 C ATOM 757 C SER A 54 -12.144 16.278 12.531 1.00 0.00 C ATOM 758 O SER A 54 -12.025 16.022 13.728 1.00 0.00 O ATOM 759 CB SER A 54 -14.372 16.031 11.422 1.00 0.00 C ATOM 760 OG SER A 54 -14.258 17.361 10.945 1.00 0.00 O ATOM 0 H SER A 54 -14.083 13.803 12.439 1.00 0.00 H new ATOM 0 HA SER A 54 -12.496 15.315 10.655 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.951 15.436 10.715 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.918 16.025 12.365 1.00 0.00 H new ATOM 0 HG SER A 54 -15.152 17.743 10.824 1.00 0.00 H new ATOM 766 N GLY A 55 -11.552 17.319 11.952 1.00 0.00 N ATOM 767 CA GLY A 55 -10.720 18.223 12.723 1.00 0.00 C ATOM 768 C GLY A 55 -9.253 17.843 12.677 1.00 0.00 C ATOM 769 O GLY A 55 -8.381 18.709 12.607 1.00 0.00 O ATOM 0 H GLY A 55 -11.634 17.552 10.962 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -10.841 19.237 12.343 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.058 18.229 13.759 1.00 0.00 H new ATOM 773 N THR A 56 -8.979 16.543 12.717 1.00 0.00 N ATOM 774 CA THR A 56 -7.608 16.049 12.682 1.00 0.00 C ATOM 775 C THR A 56 -7.107 15.920 11.249 1.00 0.00 C ATOM 776 O THR A 56 -6.101 16.523 10.877 1.00 0.00 O ATOM 777 CB THR A 56 -7.485 14.683 13.383 1.00 0.00 C ATOM 778 OG1 THR A 56 -8.329 13.724 12.737 1.00 0.00 O ATOM 779 CG2 THR A 56 -7.863 14.792 14.852 1.00 0.00 C ATOM 0 H THR A 56 -9.689 15.813 12.774 1.00 0.00 H new ATOM 0 HA THR A 56 -6.996 16.777 13.213 1.00 0.00 H new ATOM 0 HB THR A 56 -6.447 14.357 13.316 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.262 14.019 12.793 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.768 13.815 15.326 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.199 15.501 15.347 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.893 15.139 14.938 1.00 0.00 H new ATOM 787 N GLN A 57 -7.815 15.130 10.448 1.00 0.00 N ATOM 788 CA GLN A 57 -7.441 14.922 9.054 1.00 0.00 C ATOM 789 C GLN A 57 -7.481 16.235 8.278 1.00 0.00 C ATOM 790 O GLN A 57 -8.529 16.637 7.775 1.00 0.00 O ATOM 791 CB GLN A 57 -8.373 13.901 8.401 1.00 0.00 C ATOM 792 CG GLN A 57 -9.786 13.921 8.960 1.00 0.00 C ATOM 793 CD GLN A 57 -10.812 13.398 7.974 1.00 0.00 C ATOM 794 OE1 GLN A 57 -11.386 14.160 7.195 1.00 0.00 O ATOM 795 NE2 GLN A 57 -11.048 12.092 8.001 1.00 0.00 N ATOM 0 H GLN A 57 -8.651 14.624 10.741 1.00 0.00 H new ATOM 0 HA GLN A 57 -6.421 14.539 9.031 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -8.413 14.092 7.329 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.954 12.903 8.532 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -9.822 13.320 9.868 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -10.046 14.941 9.242 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.550 11.497 8.663 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -11.728 11.683 7.360 1.00 0.00 H new ATOM 804 N ASN A 58 -6.333 16.898 8.187 1.00 0.00 N ATOM 805 CA ASN A 58 -6.238 18.166 7.472 1.00 0.00 C ATOM 806 C ASN A 58 -6.474 17.968 5.978 1.00 0.00 C ATOM 807 O ASN A 58 -7.384 18.559 5.399 1.00 0.00 O ATOM 808 CB ASN A 58 -4.867 18.804 7.704 1.00 0.00 C ATOM 809 CG ASN A 58 -4.844 20.275 7.336 1.00 0.00 C ATOM 810 OD1 ASN A 58 -5.510 21.095 7.968 1.00 0.00 O ATOM 811 ND2 ASN A 58 -4.075 20.615 6.308 1.00 0.00 N ATOM 0 H ASN A 58 -5.456 16.579 8.599 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.011 18.831 7.858 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.589 18.690 8.752 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -4.118 18.273 7.116 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.019 21.590 6.013 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.540 19.901 5.813 1.00 0.00 H new ATOM 818 N GLY A 59 -5.646 17.131 5.360 1.00 0.00 N ATOM 819 CA GLY A 59 -5.781 16.869 3.939 1.00 0.00 C ATOM 820 C GLY A 59 -6.550 15.594 3.655 1.00 0.00 C ATOM 821 O GLY A 59 -6.367 14.585 4.336 1.00 0.00 O ATOM 0 H GLY A 59 -4.885 16.630 5.818 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.288 17.709 3.464 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.790 16.800 3.490 1.00 0.00 H new ATOM 825 N PHE A 60 -7.415 15.639 2.647 1.00 0.00 N ATOM 826 CA PHE A 60 -8.218 14.479 2.276 1.00 0.00 C ATOM 827 C PHE A 60 -7.330 13.268 2.004 1.00 0.00 C ATOM 828 O PHE A 60 -6.539 13.264 1.061 1.00 0.00 O ATOM 829 CB PHE A 60 -9.064 14.792 1.040 1.00 0.00 C ATOM 830 CG PHE A 60 -8.256 15.251 -0.140 1.00 0.00 C ATOM 831 CD1 PHE A 60 -7.882 16.579 -0.267 1.00 0.00 C ATOM 832 CD2 PHE A 60 -7.869 14.353 -1.122 1.00 0.00 C ATOM 833 CE1 PHE A 60 -7.139 17.003 -1.352 1.00 0.00 C ATOM 834 CE2 PHE A 60 -7.126 14.771 -2.209 1.00 0.00 C ATOM 835 CZ PHE A 60 -6.759 16.098 -2.324 1.00 0.00 C ATOM 0 H PHE A 60 -7.578 16.466 2.072 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.879 14.244 3.110 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.627 13.902 0.760 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -9.792 15.563 1.294 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.175 17.291 0.491 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -8.152 13.314 -1.036 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -6.855 18.041 -1.440 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -6.832 14.061 -2.968 1.00 0.00 H new ATOM 0 HZ PHE A 60 -6.176 16.427 -3.172 1.00 0.00 H new ATOM 845 N ILE A 61 -7.467 12.243 2.839 1.00 0.00 N ATOM 846 CA ILE A 61 -6.679 11.026 2.689 1.00 0.00 C ATOM 847 C ILE A 61 -6.883 10.405 1.311 1.00 0.00 C ATOM 848 O ILE A 61 -8.009 10.101 0.915 1.00 0.00 O ATOM 849 CB ILE A 61 -7.038 9.987 3.767 1.00 0.00 C ATOM 850 CG1 ILE A 61 -6.698 10.525 5.159 1.00 0.00 C ATOM 851 CG2 ILE A 61 -6.306 8.678 3.506 1.00 0.00 C ATOM 852 CD1 ILE A 61 -7.809 11.342 5.778 1.00 0.00 C ATOM 0 H ILE A 61 -8.116 12.231 3.626 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.633 11.311 2.805 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.110 9.796 3.724 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.464 9.688 5.816 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.800 11.139 5.093 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.570 7.954 4.276 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.593 8.289 2.529 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.230 8.853 3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.499 11.691 6.763 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.028 12.200 5.142 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.703 10.726 5.876 1.00 0.00 H new ATOM 864 N THR A 62 -5.786 10.216 0.585 1.00 0.00 N ATOM 865 CA THR A 62 -5.844 9.630 -0.748 1.00 0.00 C ATOM 866 C THR A 62 -5.732 8.111 -0.687 1.00 0.00 C ATOM 867 O THR A 62 -6.457 7.397 -1.379 1.00 0.00 O ATOM 868 CB THR A 62 -4.724 10.179 -1.653 1.00 0.00 C ATOM 869 OG1 THR A 62 -3.444 9.870 -1.090 1.00 0.00 O ATOM 870 CG2 THR A 62 -4.858 11.685 -1.826 1.00 0.00 C ATOM 0 H THR A 62 -4.846 10.460 0.898 1.00 0.00 H new ATOM 0 HA THR A 62 -6.811 9.904 -1.171 1.00 0.00 H new ATOM 0 HB THR A 62 -4.813 9.707 -2.632 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.738 10.221 -1.672 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.057 12.050 -2.468 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.821 11.915 -2.281 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.792 12.170 -0.852 1.00 0.00 H new ATOM 878 N GLY A 63 -4.820 7.622 0.148 1.00 0.00 N ATOM 879 CA GLY A 63 -4.631 6.190 0.285 1.00 0.00 C ATOM 880 C GLY A 63 -4.226 5.790 1.690 1.00 0.00 C ATOM 881 O GLY A 63 -4.085 6.641 2.569 1.00 0.00 O ATOM 0 H GLY A 63 -4.209 8.193 0.732 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.555 5.677 0.017 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.867 5.859 -0.418 1.00 0.00 H new ATOM 885 N TYR A 64 -4.040 4.493 1.904 1.00 0.00 N ATOM 886 CA TYR A 64 -3.653 3.981 3.213 1.00 0.00 C ATOM 887 C TYR A 64 -2.404 3.111 3.111 1.00 0.00 C ATOM 888 O TYR A 64 -2.190 2.426 2.110 1.00 0.00 O ATOM 889 CB TYR A 64 -4.800 3.178 3.829 1.00 0.00 C ATOM 890 CG TYR A 64 -5.916 4.038 4.376 1.00 0.00 C ATOM 891 CD1 TYR A 64 -6.716 4.795 3.529 1.00 0.00 C ATOM 892 CD2 TYR A 64 -6.172 4.092 5.741 1.00 0.00 C ATOM 893 CE1 TYR A 64 -7.736 5.583 4.025 1.00 0.00 C ATOM 894 CE2 TYR A 64 -7.192 4.876 6.246 1.00 0.00 C ATOM 895 CZ TYR A 64 -7.971 5.620 5.384 1.00 0.00 C ATOM 896 OH TYR A 64 -8.988 6.402 5.882 1.00 0.00 O ATOM 0 H TYR A 64 -4.151 3.776 1.187 1.00 0.00 H new ATOM 0 HA TYR A 64 -3.428 4.832 3.856 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -5.208 2.505 3.074 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.406 2.555 4.632 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.537 4.767 2.464 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -5.564 3.511 6.419 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.347 6.167 3.352 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.378 4.906 7.309 1.00 0.00 H new ATOM 0 HH TYR A 64 -9.704 6.470 5.217 1.00 0.00 H new ATOM 906 N LYS A 65 -1.582 3.142 4.154 1.00 0.00 N ATOM 907 CA LYS A 65 -0.355 2.356 4.185 1.00 0.00 C ATOM 908 C LYS A 65 -0.529 1.110 5.048 1.00 0.00 C ATOM 909 O LYS A 65 -1.336 1.095 5.977 1.00 0.00 O ATOM 910 CB LYS A 65 0.803 3.201 4.720 1.00 0.00 C ATOM 911 CG LYS A 65 2.159 2.795 4.168 1.00 0.00 C ATOM 912 CD LYS A 65 3.152 3.944 4.228 1.00 0.00 C ATOM 913 CE LYS A 65 4.288 3.751 3.236 1.00 0.00 C ATOM 914 NZ LYS A 65 5.384 4.736 3.449 1.00 0.00 N ATOM 0 H LYS A 65 -1.744 3.704 4.990 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.128 2.043 3.166 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.620 4.248 4.477 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.825 3.125 5.807 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.546 1.949 4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.048 2.462 3.136 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.638 4.882 4.016 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.558 4.023 5.237 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.685 2.740 3.331 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.904 3.849 2.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.139 4.571 2.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.011 5.700 3.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.768 4.626 4.409 1.00 0.00 H new ATOM 928 N ILE A 66 0.233 0.068 4.734 1.00 0.00 N ATOM 929 CA ILE A 66 0.164 -1.181 5.482 1.00 0.00 C ATOM 930 C ILE A 66 1.553 -1.778 5.686 1.00 0.00 C ATOM 931 O ILE A 66 2.361 -1.826 4.758 1.00 0.00 O ATOM 932 CB ILE A 66 -0.727 -2.216 4.770 1.00 0.00 C ATOM 933 CG1 ILE A 66 -2.085 -1.600 4.424 1.00 0.00 C ATOM 934 CG2 ILE A 66 -0.906 -3.450 5.641 1.00 0.00 C ATOM 935 CD1 ILE A 66 -2.767 -2.263 3.249 1.00 0.00 C ATOM 0 H ILE A 66 0.905 0.064 3.967 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.273 -0.943 6.452 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.239 -2.517 3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.737 -1.664 5.295 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.949 -0.541 4.205 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.538 -4.172 5.124 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.067 -3.898 5.842 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.376 -3.166 6.583 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.723 -1.775 3.061 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.135 -2.176 2.365 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.935 -3.317 3.473 1.00 0.00 H new ATOM 947 N ARG A 67 1.822 -2.234 6.905 1.00 0.00 N ATOM 948 CA ARG A 67 3.113 -2.828 7.230 1.00 0.00 C ATOM 949 C ARG A 67 2.941 -4.255 7.743 1.00 0.00 C ATOM 950 O ARG A 67 2.242 -4.491 8.729 1.00 0.00 O ATOM 951 CB ARG A 67 3.838 -1.982 8.278 1.00 0.00 C ATOM 952 CG ARG A 67 4.159 -0.573 7.808 1.00 0.00 C ATOM 953 CD ARG A 67 5.398 -0.024 8.497 1.00 0.00 C ATOM 954 NE ARG A 67 5.071 0.680 9.734 1.00 0.00 N ATOM 955 CZ ARG A 67 5.942 1.417 10.412 1.00 0.00 C ATOM 956 NH1 ARG A 67 7.187 1.548 9.976 1.00 0.00 N ATOM 957 NH2 ARG A 67 5.569 2.027 11.530 1.00 0.00 N ATOM 0 H ARG A 67 1.163 -2.203 7.683 1.00 0.00 H new ATOM 0 HA ARG A 67 3.711 -2.857 6.319 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.222 -1.925 9.176 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.765 -2.482 8.558 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.312 -0.574 6.729 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.310 0.081 8.009 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.083 -0.843 8.716 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.918 0.654 7.821 1.00 0.00 H new ATOM 0 HE ARG A 67 4.121 0.601 10.097 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.478 1.082 9.117 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.854 2.115 10.500 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.612 1.930 11.869 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.239 2.593 12.050 1.00 0.00 H new ATOM 971 N HIS A 68 3.582 -5.203 7.066 1.00 0.00 N ATOM 972 CA HIS A 68 3.499 -6.607 7.453 1.00 0.00 C ATOM 973 C HIS A 68 4.852 -7.116 7.943 1.00 0.00 C ATOM 974 O HIS A 68 5.898 -6.710 7.437 1.00 0.00 O ATOM 975 CB HIS A 68 3.018 -7.455 6.276 1.00 0.00 C ATOM 976 CG HIS A 68 4.130 -7.974 5.417 1.00 0.00 C ATOM 977 ND1 HIS A 68 5.141 -7.172 4.930 1.00 0.00 N ATOM 978 CD2 HIS A 68 4.388 -9.221 4.960 1.00 0.00 C ATOM 979 CE1 HIS A 68 5.972 -7.905 4.209 1.00 0.00 C ATOM 980 NE2 HIS A 68 5.537 -9.152 4.212 1.00 0.00 N ATOM 0 H HIS A 68 4.164 -5.025 6.248 1.00 0.00 H new ATOM 0 HA HIS A 68 2.781 -6.692 8.269 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.441 -8.298 6.658 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.343 -6.859 5.661 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.799 -10.106 5.149 1.00 0.00 H new ATOM 0 HE1 HIS A 68 6.856 -7.545 3.704 1.00 0.00 H new ATOM 0 HE2 HIS A 68 5.982 -9.936 3.736 1.00 0.00 H new ATOM 989 N ARG A 69 4.822 -8.005 8.930 1.00 0.00 N ATOM 990 CA ARG A 69 6.046 -8.567 9.489 1.00 0.00 C ATOM 991 C ARG A 69 5.769 -9.907 10.164 1.00 0.00 C ATOM 992 O ARG A 69 4.634 -10.204 10.539 1.00 0.00 O ATOM 993 CB ARG A 69 6.666 -7.595 10.494 1.00 0.00 C ATOM 994 CG ARG A 69 6.360 -6.136 10.199 1.00 0.00 C ATOM 995 CD ARG A 69 6.725 -5.242 11.374 1.00 0.00 C ATOM 996 NE ARG A 69 8.134 -5.364 11.737 1.00 0.00 N ATOM 997 CZ ARG A 69 8.638 -4.924 12.885 1.00 0.00 C ATOM 998 NH1 ARG A 69 7.852 -4.335 13.775 1.00 0.00 N ATOM 999 NH2 ARG A 69 9.931 -5.072 13.143 1.00 0.00 N ATOM 0 H ARG A 69 3.964 -8.352 9.359 1.00 0.00 H new ATOM 0 HA ARG A 69 6.749 -8.730 8.672 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.304 -7.839 11.493 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.747 -7.736 10.504 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.912 -5.819 9.314 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.300 -6.024 9.971 1.00 0.00 H new ATOM 0 HD2 ARG A 69 6.504 -4.205 11.123 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.106 -5.501 12.233 1.00 0.00 H new ATOM 0 HE ARG A 69 8.766 -5.811 11.073 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.858 -4.219 13.579 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.241 -3.998 14.656 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.539 -5.524 12.460 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.317 -4.734 14.024 1.00 0.00 H new ATOM 1013 N LYS A 70 6.814 -10.714 10.316 1.00 0.00 N ATOM 1014 CA LYS A 70 6.686 -12.022 10.947 1.00 0.00 C ATOM 1015 C LYS A 70 7.508 -12.091 12.230 1.00 0.00 C ATOM 1016 O LYS A 70 8.581 -11.494 12.325 1.00 0.00 O ATOM 1017 CB LYS A 70 7.133 -13.123 9.982 1.00 0.00 C ATOM 1018 CG LYS A 70 6.814 -14.526 10.469 1.00 0.00 C ATOM 1019 CD LYS A 70 6.564 -15.475 9.310 1.00 0.00 C ATOM 1020 CE LYS A 70 6.926 -16.907 9.674 1.00 0.00 C ATOM 1021 NZ LYS A 70 8.346 -17.219 9.354 1.00 0.00 N ATOM 0 H LYS A 70 7.760 -10.485 10.010 1.00 0.00 H new ATOM 0 HA LYS A 70 5.637 -12.174 11.201 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.653 -12.965 9.016 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.208 -13.039 9.821 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.641 -14.899 11.074 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.935 -14.497 11.113 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.515 -15.427 9.019 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.149 -15.159 8.447 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.750 -17.067 10.738 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.273 -17.594 9.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.718 -17.896 10.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.404 -17.634 8.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.909 -16.345 9.385 1.00 0.00 H new ATOM 1035 N THR A 71 7.000 -12.825 13.215 1.00 0.00 N ATOM 1036 CA THR A 71 7.687 -12.972 14.492 1.00 0.00 C ATOM 1037 C THR A 71 9.152 -13.340 14.288 1.00 0.00 C ATOM 1038 O THR A 71 10.004 -13.025 15.119 1.00 0.00 O ATOM 1039 CB THR A 71 7.017 -14.045 15.370 1.00 0.00 C ATOM 1040 OG1 THR A 71 7.743 -14.199 16.595 1.00 0.00 O ATOM 1041 CG2 THR A 71 6.954 -15.379 14.641 1.00 0.00 C ATOM 0 H THR A 71 6.114 -13.327 13.153 1.00 0.00 H new ATOM 0 HA THR A 71 7.624 -12.009 14.998 1.00 0.00 H new ATOM 0 HB THR A 71 6.000 -13.720 15.589 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.310 -14.882 17.148 1.00 0.00 H new ATOM 0 HG21 THR A 71 6.477 -16.121 15.281 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.376 -15.265 13.724 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.964 -15.707 14.395 1.00 0.00 H new ATOM 1049 N THR A 72 9.440 -14.010 13.176 1.00 0.00 N ATOM 1050 CA THR A 72 10.803 -14.421 12.863 1.00 0.00 C ATOM 1051 C THR A 72 11.202 -13.981 11.459 1.00 0.00 C ATOM 1052 O THR A 72 11.124 -14.760 10.509 1.00 0.00 O ATOM 1053 CB THR A 72 10.968 -15.949 12.976 1.00 0.00 C ATOM 1054 OG1 THR A 72 12.336 -16.311 12.755 1.00 0.00 O ATOM 1055 CG2 THR A 72 10.080 -16.665 11.970 1.00 0.00 C ATOM 0 H THR A 72 8.747 -14.279 12.477 1.00 0.00 H new ATOM 0 HA THR A 72 11.454 -13.937 13.591 1.00 0.00 H new ATOM 0 HB THR A 72 10.670 -16.252 13.980 1.00 0.00 H new ATOM 0 HG1 THR A 72 12.433 -17.283 12.830 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.214 -17.742 12.069 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.037 -16.410 12.159 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.352 -16.357 10.960 1.00 0.00 H new ATOM 1063 N ARG A 73 11.629 -12.729 11.336 1.00 0.00 N ATOM 1064 CA ARG A 73 12.040 -12.185 10.047 1.00 0.00 C ATOM 1065 C ARG A 73 12.742 -10.842 10.222 1.00 0.00 C ATOM 1066 O ARG A 73 12.435 -10.085 11.143 1.00 0.00 O ATOM 1067 CB ARG A 73 10.828 -12.023 9.128 1.00 0.00 C ATOM 1068 CG ARG A 73 11.193 -11.846 7.663 1.00 0.00 C ATOM 1069 CD ARG A 73 11.599 -13.166 7.027 1.00 0.00 C ATOM 1070 NE ARG A 73 11.937 -13.012 5.615 1.00 0.00 N ATOM 1071 CZ ARG A 73 13.068 -12.462 5.185 1.00 0.00 C ATOM 1072 NH1 ARG A 73 13.964 -12.017 6.055 1.00 0.00 N ATOM 1073 NH2 ARG A 73 13.304 -12.358 3.884 1.00 0.00 N ATOM 0 H ARG A 73 11.700 -12.072 12.113 1.00 0.00 H new ATOM 0 HA ARG A 73 12.741 -12.885 9.593 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.186 -12.898 9.230 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.247 -11.161 9.456 1.00 0.00 H new ATOM 0 HG2 ARG A 73 10.344 -11.427 7.123 1.00 0.00 H new ATOM 0 HG3 ARG A 73 12.011 -11.131 7.574 1.00 0.00 H new ATOM 0 HD2 ARG A 73 12.455 -13.578 7.562 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.784 -13.883 7.129 1.00 0.00 H new ATOM 0 HE ARG A 73 11.268 -13.345 4.920 1.00 0.00 H new ATOM 0 HH11 ARG A 73 13.786 -12.096 7.056 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.831 -11.595 5.723 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.617 -12.700 3.212 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.172 -11.936 3.555 1.00 0.00 H new ATOM 1087 N ARG A 74 13.686 -10.553 9.333 1.00 0.00 N ATOM 1088 CA ARG A 74 14.433 -9.302 9.390 1.00 0.00 C ATOM 1089 C ARG A 74 14.289 -8.523 8.086 1.00 0.00 C ATOM 1090 O ARG A 74 15.271 -8.276 7.387 1.00 0.00 O ATOM 1091 CB ARG A 74 15.911 -9.579 9.671 1.00 0.00 C ATOM 1092 CG ARG A 74 16.203 -9.915 11.124 1.00 0.00 C ATOM 1093 CD ARG A 74 16.009 -8.705 12.026 1.00 0.00 C ATOM 1094 NE ARG A 74 16.745 -8.834 13.280 1.00 0.00 N ATOM 1095 CZ ARG A 74 16.377 -9.642 14.268 1.00 0.00 C ATOM 1096 NH1 ARG A 74 15.289 -10.390 14.148 1.00 0.00 N ATOM 1097 NH2 ARG A 74 17.099 -9.704 15.380 1.00 0.00 N ATOM 0 H ARG A 74 13.952 -11.168 8.564 1.00 0.00 H new ATOM 0 HA ARG A 74 14.023 -8.699 10.200 1.00 0.00 H new ATOM 0 HB2 ARG A 74 16.243 -10.405 9.042 1.00 0.00 H new ATOM 0 HB3 ARG A 74 16.496 -8.705 9.384 1.00 0.00 H new ATOM 0 HG2 ARG A 74 15.548 -10.722 11.451 1.00 0.00 H new ATOM 0 HG3 ARG A 74 17.227 -10.278 11.216 1.00 0.00 H new ATOM 0 HD2 ARG A 74 16.338 -7.807 11.503 1.00 0.00 H new ATOM 0 HD3 ARG A 74 14.948 -8.579 12.240 1.00 0.00 H new ATOM 0 HE ARG A 74 17.588 -8.273 13.404 1.00 0.00 H new ATOM 0 HH11 ARG A 74 14.732 -10.346 13.295 1.00 0.00 H new ATOM 0 HH12 ARG A 74 15.009 -11.009 14.909 1.00 0.00 H new ATOM 0 HH21 ARG A 74 17.937 -9.131 15.476 1.00 0.00 H new ATOM 0 HH22 ARG A 74 16.816 -10.325 16.138 1.00 0.00 H new ATOM 1111 N GLY A 75 13.058 -8.138 7.766 1.00 0.00 N ATOM 1112 CA GLY A 75 12.807 -7.391 6.547 1.00 0.00 C ATOM 1113 C GLY A 75 11.472 -6.673 6.570 1.00 0.00 C ATOM 1114 O GLY A 75 10.585 -6.976 5.774 1.00 0.00 O ATOM 0 H GLY A 75 12.229 -8.330 8.329 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.605 -6.663 6.400 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.835 -8.071 5.696 1.00 0.00 H new ATOM 1118 N GLU A 76 11.330 -5.721 7.487 1.00 0.00 N ATOM 1119 CA GLU A 76 10.092 -4.961 7.612 1.00 0.00 C ATOM 1120 C GLU A 76 9.837 -4.127 6.359 1.00 0.00 C ATOM 1121 O GLU A 76 10.598 -3.213 6.044 1.00 0.00 O ATOM 1122 CB GLU A 76 10.148 -4.051 8.840 1.00 0.00 C ATOM 1123 CG GLU A 76 8.783 -3.570 9.304 1.00 0.00 C ATOM 1124 CD GLU A 76 7.961 -2.975 8.178 1.00 0.00 C ATOM 1125 OE1 GLU A 76 8.359 -1.918 7.645 1.00 0.00 O ATOM 1126 OE2 GLU A 76 6.918 -3.567 7.829 1.00 0.00 O ATOM 0 H GLU A 76 12.056 -5.458 8.153 1.00 0.00 H new ATOM 0 HA GLU A 76 9.272 -5.669 7.730 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.632 -4.586 9.657 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.771 -3.186 8.613 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.238 -4.405 9.745 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.912 -2.824 10.088 1.00 0.00 H new ATOM 1133 N MET A 77 8.761 -4.451 5.649 1.00 0.00 N ATOM 1134 CA MET A 77 8.405 -3.732 4.431 1.00 0.00 C ATOM 1135 C MET A 77 6.991 -3.167 4.527 1.00 0.00 C ATOM 1136 O MET A 77 6.144 -3.710 5.235 1.00 0.00 O ATOM 1137 CB MET A 77 8.516 -4.656 3.217 1.00 0.00 C ATOM 1138 CG MET A 77 8.360 -3.935 1.888 1.00 0.00 C ATOM 1139 SD MET A 77 9.565 -2.611 1.671 1.00 0.00 S ATOM 1140 CE MET A 77 8.808 -1.679 0.342 1.00 0.00 C ATOM 0 H MET A 77 8.121 -5.206 5.896 1.00 0.00 H new ATOM 0 HA MET A 77 9.102 -2.902 4.312 1.00 0.00 H new ATOM 0 HB2 MET A 77 9.485 -5.156 3.238 1.00 0.00 H new ATOM 0 HB3 MET A 77 7.755 -5.433 3.291 1.00 0.00 H new ATOM 0 HG2 MET A 77 8.465 -4.653 1.075 1.00 0.00 H new ATOM 0 HG3 MET A 77 7.354 -3.521 1.820 1.00 0.00 H new ATOM 0 HE1 MET A 77 9.409 -0.795 0.129 1.00 0.00 H new ATOM 0 HE2 MET A 77 8.748 -2.301 -0.551 1.00 0.00 H new ATOM 0 HE3 MET A 77 7.805 -1.372 0.638 1.00 0.00 H new ATOM 1150 N GLU A 78 6.745 -2.075 3.811 1.00 0.00 N ATOM 1151 CA GLU A 78 5.434 -1.437 3.817 1.00 0.00 C ATOM 1152 C GLU A 78 4.775 -1.533 2.444 1.00 0.00 C ATOM 1153 O GLU A 78 5.438 -1.801 1.441 1.00 0.00 O ATOM 1154 CB GLU A 78 5.558 0.030 4.234 1.00 0.00 C ATOM 1155 CG GLU A 78 6.540 0.822 3.388 1.00 0.00 C ATOM 1156 CD GLU A 78 6.057 1.022 1.965 1.00 0.00 C ATOM 1157 OE1 GLU A 78 4.839 1.224 1.776 1.00 0.00 O ATOM 1158 OE2 GLU A 78 6.895 0.975 1.041 1.00 0.00 O ATOM 0 H GLU A 78 7.436 -1.614 3.219 1.00 0.00 H new ATOM 0 HA GLU A 78 4.807 -1.961 4.539 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.577 0.501 4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.870 0.077 5.277 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.709 1.795 3.850 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.499 0.305 3.373 1.00 0.00 H new ATOM 1165 N THR A 79 3.465 -1.312 2.406 1.00 0.00 N ATOM 1166 CA THR A 79 2.715 -1.375 1.158 1.00 0.00 C ATOM 1167 C THR A 79 1.406 -0.602 1.263 1.00 0.00 C ATOM 1168 O THR A 79 0.744 -0.621 2.302 1.00 0.00 O ATOM 1169 CB THR A 79 2.408 -2.831 0.759 1.00 0.00 C ATOM 1170 OG1 THR A 79 3.598 -3.471 0.286 1.00 0.00 O ATOM 1171 CG2 THR A 79 1.336 -2.883 -0.318 1.00 0.00 C ATOM 0 H THR A 79 2.901 -1.088 3.226 1.00 0.00 H new ATOM 0 HA THR A 79 3.341 -0.920 0.390 1.00 0.00 H new ATOM 0 HB THR A 79 2.040 -3.356 1.641 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.379 -2.934 0.534 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.137 -3.921 -0.583 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.422 -2.422 0.056 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.680 -2.343 -1.200 1.00 0.00 H new ATOM 1179 N LEU A 80 1.036 0.077 0.183 1.00 0.00 N ATOM 1180 CA LEU A 80 -0.196 0.857 0.153 1.00 0.00 C ATOM 1181 C LEU A 80 -1.143 0.339 -0.925 1.00 0.00 C ATOM 1182 O LEU A 80 -0.713 -0.288 -1.893 1.00 0.00 O ATOM 1183 CB LEU A 80 0.117 2.333 -0.094 1.00 0.00 C ATOM 1184 CG LEU A 80 0.866 2.653 -1.388 1.00 0.00 C ATOM 1185 CD1 LEU A 80 -0.106 2.777 -2.551 1.00 0.00 C ATOM 1186 CD2 LEU A 80 1.680 3.930 -1.232 1.00 0.00 C ATOM 0 H LEU A 80 1.572 0.103 -0.684 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.686 0.753 1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.821 2.888 -0.094 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.706 2.704 0.745 1.00 0.00 H new ATOM 0 HG LEU A 80 1.552 1.833 -1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.445 3.005 -3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.644 1.837 -2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.817 3.578 -2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.206 4.142 -2.163 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.014 4.759 -0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.404 3.804 -0.427 1.00 0.00 H new ATOM 1198 N GLU A 81 -2.433 0.607 -0.750 1.00 0.00 N ATOM 1199 CA GLU A 81 -3.440 0.168 -1.710 1.00 0.00 C ATOM 1200 C GLU A 81 -4.415 1.298 -2.030 1.00 0.00 C ATOM 1201 O GLU A 81 -5.325 1.604 -1.260 1.00 0.00 O ATOM 1202 CB GLU A 81 -4.204 -1.040 -1.164 1.00 0.00 C ATOM 1203 CG GLU A 81 -5.181 -0.692 -0.053 1.00 0.00 C ATOM 1204 CD GLU A 81 -4.626 0.341 0.908 1.00 0.00 C ATOM 1205 OE1 GLU A 81 -3.522 0.117 1.447 1.00 0.00 O ATOM 1206 OE2 GLU A 81 -5.295 1.373 1.122 1.00 0.00 O ATOM 0 H GLU A 81 -2.805 1.125 0.046 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.929 -0.119 -2.629 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -4.749 -1.514 -1.980 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.489 -1.773 -0.791 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -6.105 -0.316 -0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.435 -1.597 0.499 1.00 0.00 H new ATOM 1213 N PRO A 82 -4.220 1.933 -3.195 1.00 0.00 N ATOM 1214 CA PRO A 82 -5.071 3.039 -3.645 1.00 0.00 C ATOM 1215 C PRO A 82 -6.475 2.575 -4.020 1.00 0.00 C ATOM 1216 O PRO A 82 -7.381 3.388 -4.195 1.00 0.00 O ATOM 1217 CB PRO A 82 -4.337 3.572 -4.878 1.00 0.00 C ATOM 1218 CG PRO A 82 -3.548 2.413 -5.380 1.00 0.00 C ATOM 1219 CD PRO A 82 -3.156 1.621 -4.164 1.00 0.00 C ATOM 0 HA PRO A 82 -5.217 3.785 -2.864 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.038 3.930 -5.632 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.689 4.410 -4.621 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.139 1.807 -6.067 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.667 2.748 -5.928 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.108 0.553 -4.378 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.175 1.916 -3.792 1.00 0.00 H new ATOM 1227 N ASN A 83 -6.647 1.263 -4.141 1.00 0.00 N ATOM 1228 CA ASN A 83 -7.941 0.691 -4.496 1.00 0.00 C ATOM 1229 C ASN A 83 -9.003 1.071 -3.468 1.00 0.00 C ATOM 1230 O ASN A 83 -9.849 1.927 -3.723 1.00 0.00 O ATOM 1231 CB ASN A 83 -7.837 -0.832 -4.599 1.00 0.00 C ATOM 1232 CG ASN A 83 -6.851 -1.274 -5.663 1.00 0.00 C ATOM 1233 OD1 ASN A 83 -7.137 -1.204 -6.858 1.00 0.00 O ATOM 1234 ND2 ASN A 83 -5.681 -1.731 -5.231 1.00 0.00 N ATOM 0 H ASN A 83 -5.907 0.576 -3.999 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.236 1.095 -5.464 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.533 -1.239 -3.634 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -8.820 -1.246 -4.824 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.976 -2.042 -5.900 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.487 -1.771 -4.230 1.00 0.00 H new ATOM 1241 N ASN A 84 -8.951 0.429 -2.306 1.00 0.00 N ATOM 1242 CA ASN A 84 -9.908 0.699 -1.240 1.00 0.00 C ATOM 1243 C ASN A 84 -9.231 0.645 0.126 1.00 0.00 C ATOM 1244 O ASN A 84 -8.013 0.489 0.222 1.00 0.00 O ATOM 1245 CB ASN A 84 -11.058 -0.308 -1.291 1.00 0.00 C ATOM 1246 CG ASN A 84 -12.067 0.021 -2.375 1.00 0.00 C ATOM 1247 OD1 ASN A 84 -12.649 1.106 -2.388 1.00 0.00 O ATOM 1248 ND2 ASN A 84 -12.280 -0.918 -3.290 1.00 0.00 N ATOM 0 H ASN A 84 -8.256 -0.282 -2.079 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.306 1.703 -1.389 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -10.656 -1.306 -1.464 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -11.561 -0.330 -0.324 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.949 -0.754 -4.043 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.775 -1.803 -3.240 1.00 0.00 H new ATOM 1255 N LEU A 85 -10.028 0.775 1.181 1.00 0.00 N ATOM 1256 CA LEU A 85 -9.506 0.741 2.543 1.00 0.00 C ATOM 1257 C LEU A 85 -9.441 -0.691 3.065 1.00 0.00 C ATOM 1258 O LEU A 85 -9.718 -0.948 4.237 1.00 0.00 O ATOM 1259 CB LEU A 85 -10.378 1.593 3.466 1.00 0.00 C ATOM 1260 CG LEU A 85 -10.941 2.879 2.859 1.00 0.00 C ATOM 1261 CD1 LEU A 85 -12.173 3.336 3.625 1.00 0.00 C ATOM 1262 CD2 LEU A 85 -9.881 3.972 2.849 1.00 0.00 C ATOM 0 H LEU A 85 -11.038 0.905 1.120 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.496 1.150 2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.212 0.982 3.811 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.791 1.857 4.346 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.234 2.675 1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -12.560 4.252 3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -12.937 2.560 3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -11.906 3.524 4.665 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.299 4.880 2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.558 4.175 3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.027 3.645 2.256 1.00 0.00 H new ATOM 1274 N TRP A 86 -9.071 -1.618 2.189 1.00 0.00 N ATOM 1275 CA TRP A 86 -8.968 -3.024 2.563 1.00 0.00 C ATOM 1276 C TRP A 86 -7.931 -3.740 1.704 1.00 0.00 C ATOM 1277 O TRP A 86 -7.902 -3.577 0.484 1.00 0.00 O ATOM 1278 CB TRP A 86 -10.327 -3.712 2.423 1.00 0.00 C ATOM 1279 CG TRP A 86 -10.816 -3.778 1.008 1.00 0.00 C ATOM 1280 CD1 TRP A 86 -11.760 -2.979 0.429 1.00 0.00 C ATOM 1281 CD2 TRP A 86 -10.387 -4.695 -0.005 1.00 0.00 C ATOM 1282 NE1 TRP A 86 -11.944 -3.344 -0.883 1.00 0.00 N ATOM 1283 CE2 TRP A 86 -11.113 -4.394 -1.174 1.00 0.00 C ATOM 1284 CE3 TRP A 86 -9.459 -5.739 -0.039 1.00 0.00 C ATOM 1285 CZ2 TRP A 86 -10.939 -5.100 -2.361 1.00 0.00 C ATOM 1286 CZ3 TRP A 86 -9.288 -6.440 -1.217 1.00 0.00 C ATOM 1287 CH2 TRP A 86 -10.024 -6.118 -2.365 1.00 0.00 C ATOM 0 H TRP A 86 -8.837 -1.422 1.216 1.00 0.00 H new ATOM 0 HA TRP A 86 -8.649 -3.075 3.604 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -10.257 -4.723 2.823 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -11.060 -3.179 3.029 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -12.285 -2.178 0.929 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -12.594 -2.904 -1.535 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -8.886 -5.993 0.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -11.506 -4.853 -3.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -8.575 -7.250 -1.254 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -9.866 -6.684 -3.271 1.00 0.00 H new ATOM 1298 N TYR A 87 -7.082 -4.534 2.348 1.00 0.00 N ATOM 1299 CA TYR A 87 -6.042 -5.273 1.642 1.00 0.00 C ATOM 1300 C TYR A 87 -6.156 -6.770 1.918 1.00 0.00 C ATOM 1301 O TYR A 87 -5.975 -7.220 3.050 1.00 0.00 O ATOM 1302 CB TYR A 87 -4.659 -4.771 2.057 1.00 0.00 C ATOM 1303 CG TYR A 87 -3.567 -5.120 1.071 1.00 0.00 C ATOM 1304 CD1 TYR A 87 -3.297 -6.443 0.743 1.00 0.00 C ATOM 1305 CD2 TYR A 87 -2.804 -4.127 0.469 1.00 0.00 C ATOM 1306 CE1 TYR A 87 -2.300 -6.767 -0.156 1.00 0.00 C ATOM 1307 CE2 TYR A 87 -1.806 -4.442 -0.433 1.00 0.00 C ATOM 1308 CZ TYR A 87 -1.558 -5.763 -0.742 1.00 0.00 C ATOM 1309 OH TYR A 87 -0.563 -6.080 -1.639 1.00 0.00 O ATOM 0 H TYR A 87 -7.094 -4.682 3.357 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.175 -5.107 0.573 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.696 -3.688 2.177 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.406 -5.191 3.030 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -3.877 -7.232 1.199 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.994 -3.092 0.710 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.103 -7.801 -0.399 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.223 -3.658 -0.894 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.137 -5.258 -1.960 1.00 0.00 H new ATOM 1319 N LEU A 88 -6.456 -7.535 0.874 1.00 0.00 N ATOM 1320 CA LEU A 88 -6.594 -8.982 1.001 1.00 0.00 C ATOM 1321 C LEU A 88 -5.296 -9.688 0.622 1.00 0.00 C ATOM 1322 O LEU A 88 -4.963 -9.804 -0.558 1.00 0.00 O ATOM 1323 CB LEU A 88 -7.738 -9.485 0.120 1.00 0.00 C ATOM 1324 CG LEU A 88 -8.214 -10.913 0.388 1.00 0.00 C ATOM 1325 CD1 LEU A 88 -7.294 -11.918 -0.287 1.00 0.00 C ATOM 1326 CD2 LEU A 88 -8.290 -11.178 1.884 1.00 0.00 C ATOM 0 H LEU A 88 -6.608 -7.178 -0.069 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.819 -9.210 2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.587 -8.812 0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -7.424 -9.417 -0.922 1.00 0.00 H new ATOM 0 HG LEU A 88 -9.213 -11.027 -0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.649 -12.929 -0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.291 -11.743 -1.363 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.282 -11.804 0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -8.631 -12.199 2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -7.303 -11.045 2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.991 -10.480 2.342 1.00 0.00 H new ATOM 1338 N PHE A 89 -4.568 -10.159 1.628 1.00 0.00 N ATOM 1339 CA PHE A 89 -3.307 -10.855 1.400 1.00 0.00 C ATOM 1340 C PHE A 89 -3.532 -12.358 1.266 1.00 0.00 C ATOM 1341 O PHE A 89 -4.429 -12.922 1.894 1.00 0.00 O ATOM 1342 CB PHE A 89 -2.331 -10.574 2.544 1.00 0.00 C ATOM 1343 CG PHE A 89 -1.716 -9.205 2.485 1.00 0.00 C ATOM 1344 CD1 PHE A 89 -0.651 -8.945 1.637 1.00 0.00 C ATOM 1345 CD2 PHE A 89 -2.202 -8.177 3.278 1.00 0.00 C ATOM 1346 CE1 PHE A 89 -0.084 -7.686 1.579 1.00 0.00 C ATOM 1347 CE2 PHE A 89 -1.639 -6.917 3.224 1.00 0.00 C ATOM 1348 CZ PHE A 89 -0.577 -6.671 2.375 1.00 0.00 C ATOM 0 H PHE A 89 -4.829 -10.072 2.610 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.880 -10.485 0.468 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.854 -10.688 3.493 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.538 -11.321 2.526 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.260 -9.736 1.014 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.030 -8.364 3.946 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.744 -7.496 0.912 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.029 -6.124 3.845 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.133 -5.687 2.334 1.00 0.00 H new ATOM 1358 N THR A 90 -2.711 -13.002 0.442 1.00 0.00 N ATOM 1359 CA THR A 90 -2.820 -14.439 0.223 1.00 0.00 C ATOM 1360 C THR A 90 -1.444 -15.080 0.082 1.00 0.00 C ATOM 1361 O THR A 90 -0.443 -14.389 -0.102 1.00 0.00 O ATOM 1362 CB THR A 90 -3.652 -14.754 -1.034 1.00 0.00 C ATOM 1363 OG1 THR A 90 -3.145 -14.018 -2.154 1.00 0.00 O ATOM 1364 CG2 THR A 90 -5.117 -14.408 -0.815 1.00 0.00 C ATOM 0 H THR A 90 -1.963 -12.551 -0.085 1.00 0.00 H new ATOM 0 HA THR A 90 -3.323 -14.854 1.096 1.00 0.00 H new ATOM 0 HB THR A 90 -3.574 -15.822 -1.236 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.678 -14.225 -2.950 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.684 -14.639 -1.717 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.508 -14.991 0.019 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.210 -13.346 -0.590 1.00 0.00 H new ATOM 1372 N GLY A 91 -1.402 -16.406 0.170 1.00 0.00 N ATOM 1373 CA GLY A 91 -0.143 -17.118 0.049 1.00 0.00 C ATOM 1374 C GLY A 91 0.717 -16.988 1.290 1.00 0.00 C ATOM 1375 O GLY A 91 1.922 -16.749 1.197 1.00 0.00 O ATOM 0 H GLY A 91 -2.217 -17.000 0.323 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -0.342 -18.172 -0.143 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.406 -16.736 -0.812 1.00 0.00 H new ATOM 1379 N LEU A 92 0.099 -17.144 2.456 1.00 0.00 N ATOM 1380 CA LEU A 92 0.816 -17.042 3.722 1.00 0.00 C ATOM 1381 C LEU A 92 1.240 -18.420 4.220 1.00 0.00 C ATOM 1382 O LEU A 92 0.637 -19.431 3.865 1.00 0.00 O ATOM 1383 CB LEU A 92 -0.058 -16.354 4.772 1.00 0.00 C ATOM 1384 CG LEU A 92 -0.498 -14.926 4.447 1.00 0.00 C ATOM 1385 CD1 LEU A 92 -1.589 -14.473 5.406 1.00 0.00 C ATOM 1386 CD2 LEU A 92 0.690 -13.977 4.501 1.00 0.00 C ATOM 0 H LEU A 92 -0.897 -17.342 2.551 1.00 0.00 H new ATOM 0 HA LEU A 92 1.712 -16.444 3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.950 -16.961 4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.487 -16.339 5.716 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.903 -14.912 3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.890 -13.455 5.160 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.449 -15.137 5.318 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.211 -14.503 6.428 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.358 -12.965 4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.125 -13.995 5.500 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.439 -14.290 3.774 1.00 0.00 H new ATOM 1398 N GLU A 93 2.280 -18.450 5.048 1.00 0.00 N ATOM 1399 CA GLU A 93 2.784 -19.704 5.596 1.00 0.00 C ATOM 1400 C GLU A 93 2.008 -20.100 6.849 1.00 0.00 C ATOM 1401 O GLU A 93 2.035 -19.396 7.859 1.00 0.00 O ATOM 1402 CB GLU A 93 4.274 -19.582 5.923 1.00 0.00 C ATOM 1403 CG GLU A 93 4.943 -20.913 6.220 1.00 0.00 C ATOM 1404 CD GLU A 93 6.191 -20.763 7.067 1.00 0.00 C ATOM 1405 OE1 GLU A 93 7.113 -20.036 6.639 1.00 0.00 O ATOM 1406 OE2 GLU A 93 6.247 -21.371 8.156 1.00 0.00 O ATOM 0 H GLU A 93 2.789 -17.621 5.354 1.00 0.00 H new ATOM 0 HA GLU A 93 2.647 -20.481 4.843 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.784 -19.108 5.084 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.396 -18.924 6.783 1.00 0.00 H new ATOM 0 HG2 GLU A 93 4.236 -21.564 6.734 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.202 -21.402 5.281 1.00 0.00 H new ATOM 1413 N LYS A 94 1.316 -21.231 6.776 1.00 0.00 N ATOM 1414 CA LYS A 94 0.532 -21.724 7.903 1.00 0.00 C ATOM 1415 C LYS A 94 1.407 -21.895 9.141 1.00 0.00 C ATOM 1416 O LYS A 94 2.634 -21.904 9.049 1.00 0.00 O ATOM 1417 CB LYS A 94 -0.132 -23.056 7.546 1.00 0.00 C ATOM 1418 CG LYS A 94 -1.197 -22.935 6.470 1.00 0.00 C ATOM 1419 CD LYS A 94 -1.931 -24.249 6.263 1.00 0.00 C ATOM 1420 CE LYS A 94 -1.210 -25.140 5.264 1.00 0.00 C ATOM 1421 NZ LYS A 94 -2.123 -26.150 4.661 1.00 0.00 N ATOM 0 H LYS A 94 1.282 -21.825 5.947 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.241 -20.988 8.125 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.634 -23.756 7.211 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.581 -23.481 8.444 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.910 -22.159 6.748 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.735 -22.623 5.533 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.023 -24.770 7.216 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.943 -24.050 5.910 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.777 -24.525 4.475 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.384 -25.648 5.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.593 -26.737 3.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.517 -26.754 5.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.898 -25.665 4.165 1.00 0.00 H new ATOM 1435 N GLY A 95 0.767 -22.032 10.298 1.00 0.00 N ATOM 1436 CA GLY A 95 1.503 -22.203 11.537 1.00 0.00 C ATOM 1437 C GLY A 95 2.564 -21.138 11.732 1.00 0.00 C ATOM 1438 O GLY A 95 3.727 -21.450 11.985 1.00 0.00 O ATOM 0 H GLY A 95 -0.248 -22.028 10.400 1.00 0.00 H new ATOM 0 HA2 GLY A 95 0.808 -22.177 12.376 1.00 0.00 H new ATOM 0 HA3 GLY A 95 1.974 -23.186 11.544 1.00 0.00 H new ATOM 1442 N SER A 96 2.163 -19.876 11.614 1.00 0.00 N ATOM 1443 CA SER A 96 3.089 -18.762 11.774 1.00 0.00 C ATOM 1444 C SER A 96 2.345 -17.490 12.171 1.00 0.00 C ATOM 1445 O SER A 96 1.167 -17.324 11.856 1.00 0.00 O ATOM 1446 CB SER A 96 3.866 -18.527 10.477 1.00 0.00 C ATOM 1447 OG SER A 96 4.861 -19.519 10.292 1.00 0.00 O ATOM 0 H SER A 96 1.203 -19.600 11.408 1.00 0.00 H new ATOM 0 HA SER A 96 3.790 -19.016 12.569 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.179 -18.535 9.631 1.00 0.00 H new ATOM 0 HB3 SER A 96 4.331 -17.541 10.501 1.00 0.00 H new ATOM 0 HG SER A 96 4.681 -20.277 10.886 1.00 0.00 H new ATOM 1453 N GLN A 97 3.043 -16.597 12.865 1.00 0.00 N ATOM 1454 CA GLN A 97 2.448 -15.340 13.307 1.00 0.00 C ATOM 1455 C GLN A 97 2.746 -14.219 12.316 1.00 0.00 C ATOM 1456 O GLN A 97 3.723 -14.280 11.570 1.00 0.00 O ATOM 1457 CB GLN A 97 2.972 -14.964 14.694 1.00 0.00 C ATOM 1458 CG GLN A 97 2.348 -13.697 15.256 1.00 0.00 C ATOM 1459 CD GLN A 97 2.990 -13.259 16.558 1.00 0.00 C ATOM 1460 OE1 GLN A 97 3.682 -12.242 16.612 1.00 0.00 O ATOM 1461 NE2 GLN A 97 2.762 -14.027 17.618 1.00 0.00 N ATOM 0 H GLN A 97 4.019 -16.720 13.133 1.00 0.00 H new ATOM 0 HA GLN A 97 1.368 -15.476 13.359 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.782 -15.789 15.381 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.053 -14.835 14.642 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.439 -12.896 14.523 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.283 -13.862 15.418 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.182 -14.861 17.528 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.167 -13.782 18.522 1.00 0.00 H new ATOM 1470 N TYR A 98 1.898 -13.197 12.315 1.00 0.00 N ATOM 1471 CA TYR A 98 2.068 -12.064 11.414 1.00 0.00 C ATOM 1472 C TYR A 98 1.481 -10.793 12.020 1.00 0.00 C ATOM 1473 O TYR A 98 0.487 -10.839 12.745 1.00 0.00 O ATOM 1474 CB TYR A 98 1.406 -12.352 10.066 1.00 0.00 C ATOM 1475 CG TYR A 98 2.182 -13.323 9.205 1.00 0.00 C ATOM 1476 CD1 TYR A 98 3.285 -12.903 8.472 1.00 0.00 C ATOM 1477 CD2 TYR A 98 1.813 -14.660 9.125 1.00 0.00 C ATOM 1478 CE1 TYR A 98 3.997 -13.786 7.684 1.00 0.00 C ATOM 1479 CE2 TYR A 98 2.520 -15.551 8.341 1.00 0.00 C ATOM 1480 CZ TYR A 98 3.611 -15.109 7.622 1.00 0.00 C ATOM 1481 OH TYR A 98 4.318 -15.992 6.839 1.00 0.00 O ATOM 0 H TYR A 98 1.086 -13.130 12.928 1.00 0.00 H new ATOM 0 HA TYR A 98 3.136 -11.912 11.261 1.00 0.00 H new ATOM 0 HB2 TYR A 98 0.407 -12.752 10.240 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.285 -11.415 9.523 1.00 0.00 H new ATOM 0 HD1 TYR A 98 3.591 -11.868 8.519 1.00 0.00 H new ATOM 0 HD2 TYR A 98 0.958 -15.009 9.686 1.00 0.00 H new ATOM 0 HE1 TYR A 98 4.851 -13.443 7.119 1.00 0.00 H new ATOM 0 HE2 TYR A 98 2.220 -16.587 8.291 1.00 0.00 H new ATOM 0 HH TYR A 98 4.542 -16.788 7.365 1.00 0.00 H new ATOM 1491 N SER A 99 2.103 -9.658 11.718 1.00 0.00 N ATOM 1492 CA SER A 99 1.646 -8.374 12.234 1.00 0.00 C ATOM 1493 C SER A 99 1.096 -7.501 11.111 1.00 0.00 C ATOM 1494 O SER A 99 1.355 -7.749 9.933 1.00 0.00 O ATOM 1495 CB SER A 99 2.790 -7.649 12.945 1.00 0.00 C ATOM 1496 OG SER A 99 3.002 -8.179 14.242 1.00 0.00 O ATOM 0 H SER A 99 2.926 -9.602 11.118 1.00 0.00 H new ATOM 0 HA SER A 99 0.845 -8.563 12.949 1.00 0.00 H new ATOM 0 HB2 SER A 99 3.704 -7.741 12.358 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.562 -6.585 13.016 1.00 0.00 H new ATOM 0 HG SER A 99 3.739 -7.700 14.675 1.00 0.00 H new ATOM 1502 N PHE A 100 0.335 -6.477 11.483 1.00 0.00 N ATOM 1503 CA PHE A 100 -0.254 -5.567 10.508 1.00 0.00 C ATOM 1504 C PHE A 100 -0.518 -4.199 11.131 1.00 0.00 C ATOM 1505 O PHE A 100 -1.046 -4.102 12.238 1.00 0.00 O ATOM 1506 CB PHE A 100 -1.557 -6.149 9.957 1.00 0.00 C ATOM 1507 CG PHE A 100 -1.354 -7.360 9.091 1.00 0.00 C ATOM 1508 CD1 PHE A 100 -0.980 -7.223 7.763 1.00 0.00 C ATOM 1509 CD2 PHE A 100 -1.536 -8.634 9.604 1.00 0.00 C ATOM 1510 CE1 PHE A 100 -0.794 -8.336 6.965 1.00 0.00 C ATOM 1511 CE2 PHE A 100 -1.350 -9.749 8.810 1.00 0.00 C ATOM 1512 CZ PHE A 100 -0.977 -9.600 7.489 1.00 0.00 C ATOM 0 H PHE A 100 0.112 -6.257 12.454 1.00 0.00 H new ATOM 0 HA PHE A 100 0.455 -5.443 9.689 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.209 -6.413 10.790 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.073 -5.382 9.380 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -0.833 -6.237 7.348 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.827 -8.757 10.637 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -0.505 -8.217 5.931 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -1.496 -10.736 9.222 1.00 0.00 H new ATOM 0 HZ PHE A 100 -0.829 -10.470 6.867 1.00 0.00 H new ATOM 1522 N GLN A 101 -0.146 -3.146 10.410 1.00 0.00 N ATOM 1523 CA GLN A 101 -0.341 -1.784 10.893 1.00 0.00 C ATOM 1524 C GLN A 101 -0.860 -0.881 9.779 1.00 0.00 C ATOM 1525 O GLN A 101 -0.206 -0.708 8.750 1.00 0.00 O ATOM 1526 CB GLN A 101 0.969 -1.225 11.450 1.00 0.00 C ATOM 1527 CG GLN A 101 0.775 -0.054 12.400 1.00 0.00 C ATOM 1528 CD GLN A 101 2.085 0.603 12.791 1.00 0.00 C ATOM 1529 OE1 GLN A 101 2.820 1.104 11.940 1.00 0.00 O ATOM 1530 NE2 GLN A 101 2.383 0.603 14.085 1.00 0.00 N ATOM 0 H GLN A 101 0.291 -3.210 9.491 1.00 0.00 H new ATOM 0 HA GLN A 101 -1.084 -1.811 11.690 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.502 -2.021 11.971 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.601 -0.908 10.620 1.00 0.00 H new ATOM 0 HG2 GLN A 101 0.127 0.686 11.931 1.00 0.00 H new ATOM 0 HG3 GLN A 101 0.264 -0.401 13.298 1.00 0.00 H new ATOM 0 HE21 GLN A 101 1.744 0.176 14.756 1.00 0.00 H new ATOM 0 HE22 GLN A 101 3.251 1.030 14.408 1.00 0.00 H new ATOM 1539 N VAL A 102 -2.041 -0.308 9.990 1.00 0.00 N ATOM 1540 CA VAL A 102 -2.648 0.578 9.003 1.00 0.00 C ATOM 1541 C VAL A 102 -2.386 2.041 9.344 1.00 0.00 C ATOM 1542 O VAL A 102 -2.336 2.417 10.515 1.00 0.00 O ATOM 1543 CB VAL A 102 -4.168 0.350 8.904 1.00 0.00 C ATOM 1544 CG1 VAL A 102 -4.795 1.342 7.937 1.00 0.00 C ATOM 1545 CG2 VAL A 102 -4.464 -1.081 8.479 1.00 0.00 C ATOM 0 H VAL A 102 -2.596 -0.441 10.835 1.00 0.00 H new ATOM 0 HA VAL A 102 -2.190 0.344 8.042 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.608 0.512 9.888 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -5.869 1.165 7.880 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -4.612 2.358 8.288 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.354 1.215 6.948 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -5.542 -1.226 8.414 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -4.013 -1.272 7.505 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.049 -1.772 9.213 1.00 0.00 H new ATOM 1555 N SER A 103 -2.222 2.863 8.312 1.00 0.00 N ATOM 1556 CA SER A 103 -1.962 4.285 8.502 1.00 0.00 C ATOM 1557 C SER A 103 -2.749 5.120 7.496 1.00 0.00 C ATOM 1558 O SER A 103 -3.243 4.602 6.495 1.00 0.00 O ATOM 1559 CB SER A 103 -0.466 4.575 8.363 1.00 0.00 C ATOM 1560 OG SER A 103 0.296 3.745 9.222 1.00 0.00 O ATOM 0 H SER A 103 -2.265 2.569 7.336 1.00 0.00 H new ATOM 0 HA SER A 103 -2.286 4.557 9.507 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.156 4.417 7.330 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.272 5.622 8.597 1.00 0.00 H new ATOM 0 HG SER A 103 1.248 3.949 9.113 1.00 0.00 H new ATOM 1566 N ALA A 104 -2.862 6.415 7.771 1.00 0.00 N ATOM 1567 CA ALA A 104 -3.586 7.323 6.891 1.00 0.00 C ATOM 1568 C ALA A 104 -2.628 8.246 6.145 1.00 0.00 C ATOM 1569 O ALA A 104 -1.994 9.113 6.746 1.00 0.00 O ATOM 1570 CB ALA A 104 -4.595 8.138 7.687 1.00 0.00 C ATOM 0 H ALA A 104 -2.461 6.859 8.597 1.00 0.00 H new ATOM 0 HA ALA A 104 -4.120 6.724 6.153 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.128 8.812 7.017 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.306 7.467 8.168 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.074 8.720 8.447 1.00 0.00 H new ATOM 1576 N MET A 105 -2.528 8.053 4.834 1.00 0.00 N ATOM 1577 CA MET A 105 -1.647 8.870 4.007 1.00 0.00 C ATOM 1578 C MET A 105 -2.400 10.060 3.422 1.00 0.00 C ATOM 1579 O MET A 105 -3.468 9.903 2.829 1.00 0.00 O ATOM 1580 CB MET A 105 -1.046 8.028 2.880 1.00 0.00 C ATOM 1581 CG MET A 105 0.217 7.285 3.284 1.00 0.00 C ATOM 1582 SD MET A 105 1.021 6.472 1.890 1.00 0.00 S ATOM 1583 CE MET A 105 0.002 5.009 1.718 1.00 0.00 C ATOM 0 H MET A 105 -3.045 7.339 4.322 1.00 0.00 H new ATOM 0 HA MET A 105 -0.842 9.247 4.639 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.789 7.307 2.540 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.821 8.676 2.033 1.00 0.00 H new ATOM 0 HG2 MET A 105 0.915 7.985 3.743 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.031 6.540 4.040 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.577 4.129 2.006 1.00 0.00 H new ATOM 0 HE2 MET A 105 -0.873 5.097 2.362 1.00 0.00 H new ATOM 0 HE3 MET A 105 -0.319 4.909 0.681 1.00 0.00 H new ATOM 1593 N THR A 106 -1.838 11.253 3.594 1.00 0.00 N ATOM 1594 CA THR A 106 -2.457 12.470 3.084 1.00 0.00 C ATOM 1595 C THR A 106 -1.795 12.922 1.787 1.00 0.00 C ATOM 1596 O THR A 106 -0.850 12.294 1.309 1.00 0.00 O ATOM 1597 CB THR A 106 -2.378 13.614 4.113 1.00 0.00 C ATOM 1598 OG1 THR A 106 -1.079 13.643 4.715 1.00 0.00 O ATOM 1599 CG2 THR A 106 -3.438 13.445 5.191 1.00 0.00 C ATOM 0 H THR A 106 -0.955 11.402 4.083 1.00 0.00 H new ATOM 0 HA THR A 106 -3.504 12.235 2.892 1.00 0.00 H new ATOM 0 HB THR A 106 -2.558 14.555 3.592 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.037 14.374 5.367 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.363 14.264 5.906 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.427 13.452 4.733 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.284 12.497 5.707 1.00 0.00 H new ATOM 1607 N VAL A 107 -2.296 14.016 1.222 1.00 0.00 N ATOM 1608 CA VAL A 107 -1.752 14.554 -0.019 1.00 0.00 C ATOM 1609 C VAL A 107 -0.326 15.055 0.178 1.00 0.00 C ATOM 1610 O VAL A 107 0.376 15.354 -0.786 1.00 0.00 O ATOM 1611 CB VAL A 107 -2.620 15.705 -0.560 1.00 0.00 C ATOM 1612 CG1 VAL A 107 -4.015 15.207 -0.905 1.00 0.00 C ATOM 1613 CG2 VAL A 107 -2.685 16.842 0.449 1.00 0.00 C ATOM 0 H VAL A 107 -3.078 14.547 1.604 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.750 13.740 -0.743 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.161 16.085 -1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.613 16.035 -1.286 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.946 14.429 -1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -4.487 14.799 -0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.302 17.647 0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.120 16.478 1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.679 17.217 0.640 1.00 0.00 H new ATOM 1623 N ASN A 108 0.095 15.145 1.436 1.00 0.00 N ATOM 1624 CA ASN A 108 1.439 15.611 1.760 1.00 0.00 C ATOM 1625 C ASN A 108 2.386 14.434 1.974 1.00 0.00 C ATOM 1626 O ASN A 108 3.253 14.163 1.145 1.00 0.00 O ATOM 1627 CB ASN A 108 1.408 16.490 3.012 1.00 0.00 C ATOM 1628 CG ASN A 108 0.493 17.690 2.854 1.00 0.00 C ATOM 1629 OD1 ASN A 108 0.895 18.725 2.322 1.00 0.00 O ATOM 1630 ND2 ASN A 108 -0.744 17.555 3.316 1.00 0.00 N ATOM 0 H ASN A 108 -0.474 14.902 2.247 1.00 0.00 H new ATOM 0 HA ASN A 108 1.805 16.200 0.919 1.00 0.00 H new ATOM 0 HB2 ASN A 108 1.078 15.894 3.863 1.00 0.00 H new ATOM 0 HB3 ASN A 108 2.418 16.834 3.236 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -1.405 18.328 3.237 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -1.034 16.678 3.750 1.00 0.00 H new ATOM 1637 N GLY A 109 2.212 13.738 3.094 1.00 0.00 N ATOM 1638 CA GLY A 109 3.057 12.598 3.398 1.00 0.00 C ATOM 1639 C GLY A 109 2.304 11.489 4.104 1.00 0.00 C ATOM 1640 O GLY A 109 1.079 11.399 4.005 1.00 0.00 O ATOM 0 H GLY A 109 1.501 13.944 3.796 1.00 0.00 H new ATOM 0 HA2 GLY A 109 3.485 12.211 2.474 1.00 0.00 H new ATOM 0 HA3 GLY A 109 3.889 12.923 4.023 1.00 0.00 H new ATOM 1644 N THR A 110 3.036 10.640 4.819 1.00 0.00 N ATOM 1645 CA THR A 110 2.429 9.530 5.543 1.00 0.00 C ATOM 1646 C THR A 110 2.230 9.876 7.014 1.00 0.00 C ATOM 1647 O THR A 110 3.171 10.268 7.703 1.00 0.00 O ATOM 1648 CB THR A 110 3.289 8.256 5.439 1.00 0.00 C ATOM 1649 OG1 THR A 110 3.720 8.065 4.087 1.00 0.00 O ATOM 1650 CG2 THR A 110 2.507 7.036 5.904 1.00 0.00 C ATOM 0 H THR A 110 4.050 10.700 4.912 1.00 0.00 H new ATOM 0 HA THR A 110 1.459 9.344 5.082 1.00 0.00 H new ATOM 0 HB THR A 110 4.159 8.378 6.084 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.586 7.607 4.081 1.00 0.00 H new ATOM 0 HG21 THR A 110 3.134 6.149 5.822 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.205 7.172 6.942 1.00 0.00 H new ATOM 0 HG23 THR A 110 1.621 6.913 5.281 1.00 0.00 H new ATOM 1658 N GLY A 111 0.997 9.727 7.490 1.00 0.00 N ATOM 1659 CA GLY A 111 0.697 10.028 8.878 1.00 0.00 C ATOM 1660 C GLY A 111 1.337 9.043 9.836 1.00 0.00 C ATOM 1661 O GLY A 111 2.012 8.097 9.429 1.00 0.00 O ATOM 0 H GLY A 111 0.201 9.404 6.940 1.00 0.00 H new ATOM 0 HA2 GLY A 111 1.044 11.035 9.111 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -0.383 10.021 9.023 1.00 0.00 H new ATOM 1665 N PRO A 112 1.128 9.262 11.143 1.00 0.00 N ATOM 1666 CA PRO A 112 1.682 8.397 12.189 1.00 0.00 C ATOM 1667 C PRO A 112 1.024 7.022 12.213 1.00 0.00 C ATOM 1668 O PRO A 112 -0.186 6.883 12.032 1.00 0.00 O ATOM 1669 CB PRO A 112 1.375 9.160 13.480 1.00 0.00 C ATOM 1670 CG PRO A 112 0.189 10.000 13.150 1.00 0.00 C ATOM 1671 CD PRO A 112 0.334 10.370 11.700 1.00 0.00 C ATOM 0 HA PRO A 112 2.743 8.201 12.036 1.00 0.00 H new ATOM 0 HB2 PRO A 112 1.160 8.477 14.302 1.00 0.00 H new ATOM 0 HB3 PRO A 112 2.222 9.774 13.788 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -0.737 9.452 13.322 1.00 0.00 H new ATOM 0 HG3 PRO A 112 0.154 10.890 13.778 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -0.635 10.457 11.209 1.00 0.00 H new ATOM 0 HD3 PRO A 112 0.840 11.328 11.578 1.00 0.00 H new ATOM 1679 N PRO A 113 1.836 5.980 12.444 1.00 0.00 N ATOM 1680 CA PRO A 113 1.354 4.597 12.498 1.00 0.00 C ATOM 1681 C PRO A 113 0.500 4.329 13.733 1.00 0.00 C ATOM 1682 O PRO A 113 0.685 4.956 14.775 1.00 0.00 O ATOM 1683 CB PRO A 113 2.643 3.773 12.551 1.00 0.00 C ATOM 1684 CG PRO A 113 3.656 4.692 13.142 1.00 0.00 C ATOM 1685 CD PRO A 113 3.289 6.072 12.669 1.00 0.00 C ATOM 0 HA PRO A 113 0.713 4.356 11.650 1.00 0.00 H new ATOM 0 HB2 PRO A 113 2.516 2.879 13.161 1.00 0.00 H new ATOM 0 HB3 PRO A 113 2.942 3.441 11.557 1.00 0.00 H new ATOM 0 HG2 PRO A 113 3.645 4.637 14.231 1.00 0.00 H new ATOM 0 HG3 PRO A 113 4.662 4.423 12.819 1.00 0.00 H new ATOM 0 HD2 PRO A 113 3.533 6.830 13.413 1.00 0.00 H new ATOM 0 HD3 PRO A 113 3.821 6.339 11.756 1.00 0.00 H new ATOM 1693 N SER A 114 -0.436 3.393 13.608 1.00 0.00 N ATOM 1694 CA SER A 114 -1.321 3.045 14.713 1.00 0.00 C ATOM 1695 C SER A 114 -0.819 1.802 15.441 1.00 0.00 C ATOM 1696 O SER A 114 0.186 1.207 15.054 1.00 0.00 O ATOM 1697 CB SER A 114 -2.743 2.810 14.201 1.00 0.00 C ATOM 1698 OG SER A 114 -2.770 1.783 13.224 1.00 0.00 O ATOM 0 H SER A 114 -0.601 2.862 12.753 1.00 0.00 H new ATOM 0 HA SER A 114 -1.328 3.878 15.416 1.00 0.00 H new ATOM 0 HB2 SER A 114 -3.393 2.541 15.034 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.136 3.733 13.774 1.00 0.00 H new ATOM 0 HG SER A 114 -2.604 2.169 12.339 1.00 0.00 H new ATOM 1704 N ASN A 115 -1.526 1.416 16.498 1.00 0.00 N ATOM 1705 CA ASN A 115 -1.152 0.245 17.281 1.00 0.00 C ATOM 1706 C ASN A 115 -0.772 -0.919 16.371 1.00 0.00 C ATOM 1707 O ASN A 115 -1.321 -1.073 15.281 1.00 0.00 O ATOM 1708 CB ASN A 115 -2.303 -0.168 18.202 1.00 0.00 C ATOM 1709 CG ASN A 115 -2.413 0.723 19.424 1.00 0.00 C ATOM 1710 OD1 ASN A 115 -3.021 1.793 19.373 1.00 0.00 O ATOM 1711 ND2 ASN A 115 -1.824 0.285 20.530 1.00 0.00 N ATOM 0 H ASN A 115 -2.361 1.897 16.832 1.00 0.00 H new ATOM 0 HA ASN A 115 -0.285 0.507 17.888 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -3.240 -0.135 17.646 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -2.158 -1.200 18.520 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -1.864 0.841 21.384 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -1.331 -0.608 20.526 1.00 0.00 H new ATOM 1718 N TRP A 116 0.171 -1.736 16.828 1.00 0.00 N ATOM 1719 CA TRP A 116 0.624 -2.887 16.055 1.00 0.00 C ATOM 1720 C TRP A 116 -0.204 -4.124 16.385 1.00 0.00 C ATOM 1721 O TRP A 116 0.030 -4.788 17.395 1.00 0.00 O ATOM 1722 CB TRP A 116 2.104 -3.161 16.329 1.00 0.00 C ATOM 1723 CG TRP A 116 3.026 -2.389 15.434 1.00 0.00 C ATOM 1724 CD1 TRP A 116 3.635 -1.200 15.715 1.00 0.00 C ATOM 1725 CD2 TRP A 116 3.442 -2.754 14.114 1.00 0.00 C ATOM 1726 NE1 TRP A 116 4.405 -0.802 14.648 1.00 0.00 N ATOM 1727 CE2 TRP A 116 4.304 -1.739 13.654 1.00 0.00 C ATOM 1728 CE3 TRP A 116 3.172 -3.840 13.276 1.00 0.00 C ATOM 1729 CZ2 TRP A 116 4.895 -1.780 12.393 1.00 0.00 C ATOM 1730 CZ3 TRP A 116 3.759 -3.878 12.026 1.00 0.00 C ATOM 1731 CH2 TRP A 116 4.613 -2.854 11.594 1.00 0.00 C ATOM 0 H TRP A 116 0.636 -1.623 17.729 1.00 0.00 H new ATOM 0 HA TRP A 116 0.494 -2.657 14.998 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.326 -2.914 17.367 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.298 -4.227 16.206 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.528 -0.652 16.640 1.00 0.00 H new ATOM 0 HE1 TRP A 116 4.961 0.052 14.604 1.00 0.00 H new ATOM 0 HE3 TRP A 116 2.516 -4.635 13.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 5.553 -0.992 12.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 3.556 -4.712 11.370 1.00 0.00 H new ATOM 0 HH2 TRP A 116 5.057 -2.914 10.611 1.00 0.00 H new ATOM 1742 N TYR A 117 -1.171 -4.430 15.527 1.00 0.00 N ATOM 1743 CA TYR A 117 -2.035 -5.587 15.729 1.00 0.00 C ATOM 1744 C TYR A 117 -1.394 -6.850 15.162 1.00 0.00 C ATOM 1745 O TYR A 117 -0.768 -6.823 14.102 1.00 0.00 O ATOM 1746 CB TYR A 117 -3.397 -5.353 15.072 1.00 0.00 C ATOM 1747 CG TYR A 117 -4.163 -4.192 15.664 1.00 0.00 C ATOM 1748 CD1 TYR A 117 -3.754 -2.882 15.447 1.00 0.00 C ATOM 1749 CD2 TYR A 117 -5.296 -4.404 16.438 1.00 0.00 C ATOM 1750 CE1 TYR A 117 -4.451 -1.818 15.986 1.00 0.00 C ATOM 1751 CE2 TYR A 117 -6.000 -3.346 16.980 1.00 0.00 C ATOM 1752 CZ TYR A 117 -5.573 -2.055 16.752 1.00 0.00 C ATOM 1753 OH TYR A 117 -6.271 -0.997 17.289 1.00 0.00 O ATOM 0 H TYR A 117 -1.376 -3.893 14.685 1.00 0.00 H new ATOM 0 HA TYR A 117 -2.175 -5.722 16.801 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -3.251 -5.176 14.006 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -3.997 -6.258 15.166 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -2.876 -2.692 14.847 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -5.633 -5.414 16.620 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -4.119 -0.806 15.808 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -6.880 -3.529 17.579 1.00 0.00 H new ATOM 0 HH TYR A 117 -7.035 -1.335 17.801 1.00 0.00 H new ATOM 1763 N THR A 118 -1.556 -7.959 15.877 1.00 0.00 N ATOM 1764 CA THR A 118 -0.995 -9.234 15.448 1.00 0.00 C ATOM 1765 C THR A 118 -2.093 -10.255 15.177 1.00 0.00 C ATOM 1766 O THR A 118 -3.147 -10.231 15.812 1.00 0.00 O ATOM 1767 CB THR A 118 -0.027 -9.805 16.502 1.00 0.00 C ATOM 1768 OG1 THR A 118 0.954 -8.822 16.850 1.00 0.00 O ATOM 1769 CG2 THR A 118 0.663 -11.057 15.982 1.00 0.00 C ATOM 0 H THR A 118 -2.071 -8.000 16.756 1.00 0.00 H new ATOM 0 HA THR A 118 -0.445 -9.043 14.526 1.00 0.00 H new ATOM 0 HB THR A 118 -0.605 -10.070 17.388 1.00 0.00 H new ATOM 0 HG1 THR A 118 1.564 -9.192 17.521 1.00 0.00 H new ATOM 0 HG21 THR A 118 1.341 -11.442 16.744 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.085 -11.814 15.747 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.228 -10.814 15.082 1.00 0.00 H new ATOM 1777 N ALA A 119 -1.840 -11.153 14.230 1.00 0.00 N ATOM 1778 CA ALA A 119 -2.807 -12.185 13.877 1.00 0.00 C ATOM 1779 C ALA A 119 -2.143 -13.556 13.801 1.00 0.00 C ATOM 1780 O ALA A 119 -0.931 -13.659 13.619 1.00 0.00 O ATOM 1781 CB ALA A 119 -3.478 -11.848 12.554 1.00 0.00 C ATOM 0 H ALA A 119 -0.973 -11.186 13.694 1.00 0.00 H new ATOM 0 HA ALA A 119 -3.566 -12.220 14.659 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -4.198 -12.627 12.302 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.994 -10.892 12.641 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -2.724 -11.784 11.770 1.00 0.00 H new ATOM 1787 N GLU A 120 -2.947 -14.605 13.944 1.00 0.00 N ATOM 1788 CA GLU A 120 -2.436 -15.970 13.893 1.00 0.00 C ATOM 1789 C GLU A 120 -3.207 -16.802 12.873 1.00 0.00 C ATOM 1790 O GLU A 120 -4.437 -16.774 12.834 1.00 0.00 O ATOM 1791 CB GLU A 120 -2.526 -16.624 15.274 1.00 0.00 C ATOM 1792 CG GLU A 120 -1.366 -16.273 16.190 1.00 0.00 C ATOM 1793 CD GLU A 120 -1.080 -17.358 17.210 1.00 0.00 C ATOM 1794 OE1 GLU A 120 -1.197 -18.550 16.856 1.00 0.00 O ATOM 1795 OE2 GLU A 120 -0.739 -17.016 18.362 1.00 0.00 O ATOM 0 H GLU A 120 -3.953 -14.536 14.096 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.391 -15.928 13.586 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.459 -16.321 15.750 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.567 -17.706 15.152 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.473 -16.100 15.589 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.587 -15.340 16.709 1.00 0.00 H new ATOM 1802 N THR A 121 -2.474 -17.543 12.047 1.00 0.00 N ATOM 1803 CA THR A 121 -3.087 -18.382 11.025 1.00 0.00 C ATOM 1804 C THR A 121 -3.476 -19.743 11.592 1.00 0.00 C ATOM 1805 O THR A 121 -2.713 -20.382 12.315 1.00 0.00 O ATOM 1806 CB THR A 121 -2.142 -18.589 9.827 1.00 0.00 C ATOM 1807 OG1 THR A 121 -0.847 -18.988 10.287 1.00 0.00 O ATOM 1808 CG2 THR A 121 -2.024 -17.314 9.005 1.00 0.00 C ATOM 0 H THR A 121 -1.455 -17.579 12.066 1.00 0.00 H new ATOM 0 HA THR A 121 -3.983 -17.863 10.686 1.00 0.00 H new ATOM 0 HB THR A 121 -2.559 -19.373 9.195 1.00 0.00 H new ATOM 0 HG1 THR A 121 -0.253 -19.119 9.519 1.00 0.00 H new ATOM 0 HG21 THR A 121 -1.351 -17.484 8.164 1.00 0.00 H new ATOM 0 HG22 THR A 121 -3.008 -17.030 8.631 1.00 0.00 H new ATOM 0 HG23 THR A 121 -1.628 -16.513 9.630 1.00 0.00 H new ATOM 1816 N PRO A 122 -4.692 -20.199 11.256 1.00 0.00 N ATOM 1817 CA PRO A 122 -5.210 -21.490 11.720 1.00 0.00 C ATOM 1818 C PRO A 122 -4.484 -22.669 11.081 1.00 0.00 C ATOM 1819 O PRO A 122 -4.560 -22.873 9.870 1.00 0.00 O ATOM 1820 CB PRO A 122 -6.676 -21.463 11.281 1.00 0.00 C ATOM 1821 CG PRO A 122 -6.707 -20.529 10.121 1.00 0.00 C ATOM 1822 CD PRO A 122 -5.656 -19.489 10.398 1.00 0.00 C ATOM 0 HA PRO A 122 -5.075 -21.621 12.794 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -7.023 -22.457 10.998 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -7.324 -21.116 12.086 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -6.499 -21.056 9.190 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -7.690 -20.071 10.015 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -5.190 -19.134 9.479 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -6.076 -18.617 10.901 1.00 0.00 H new ATOM 1830 N GLU A 123 -3.781 -23.441 11.904 1.00 0.00 N ATOM 1831 CA GLU A 123 -3.041 -24.600 11.417 1.00 0.00 C ATOM 1832 C GLU A 123 -3.850 -25.361 10.371 1.00 0.00 C ATOM 1833 O GLU A 123 -3.313 -25.799 9.354 1.00 0.00 O ATOM 1834 CB GLU A 123 -2.685 -25.530 12.578 1.00 0.00 C ATOM 1835 CG GLU A 123 -1.424 -25.120 13.322 1.00 0.00 C ATOM 1836 CD GLU A 123 -0.161 -25.430 12.543 1.00 0.00 C ATOM 1837 OE1 GLU A 123 -0.175 -26.396 11.752 1.00 0.00 O ATOM 1838 OE2 GLU A 123 0.841 -24.708 12.725 1.00 0.00 O ATOM 0 H GLU A 123 -3.708 -23.285 12.909 1.00 0.00 H new ATOM 0 HA GLU A 123 -2.122 -24.243 10.952 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -3.518 -25.557 13.280 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -2.558 -26.543 12.195 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -1.463 -24.051 13.534 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -1.390 -25.634 14.282 1.00 0.00 H new ATOM 1845 N ASN A 124 -5.144 -25.515 10.629 1.00 0.00 N ATOM 1846 CA ASN A 124 -6.028 -26.225 9.711 1.00 0.00 C ATOM 1847 C ASN A 124 -6.257 -25.413 8.440 1.00 0.00 C ATOM 1848 O ASN A 124 -7.188 -24.611 8.364 1.00 0.00 O ATOM 1849 CB ASN A 124 -7.367 -26.523 10.388 1.00 0.00 C ATOM 1850 CG ASN A 124 -7.279 -27.687 11.356 1.00 0.00 C ATOM 1851 OD1 ASN A 124 -6.229 -28.314 11.496 1.00 0.00 O ATOM 1852 ND2 ASN A 124 -8.385 -27.980 12.030 1.00 0.00 N ATOM 0 H ASN A 124 -5.604 -25.158 11.466 1.00 0.00 H new ATOM 0 HA ASN A 124 -5.549 -27.166 9.439 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -7.707 -25.635 10.921 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -8.115 -26.743 9.626 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -8.387 -28.752 12.696 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -9.233 -27.433 11.882 1.00 0.00 H new TER 1859 ASN A 124