USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 935 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 28 THR OG1 : rot 180:sc= -0.358 USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 24 LYS NZ :NH3+ -110:sc= -0.157 (180deg=-1.25) USER MOD Set 2.2: A 27 THR OG1 : rot 160:sc= 0 USER MOD Set 3.1: A 17 THR OG1 : rot 42:sc= 0.164 USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ASN :FLIP amide:sc= -2.35 F(o=-8.1!,f=-2.4) USER MOD Single : A 1 ASN N :NH3+ 142:sc= 0.0414 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 30 LYS NZ :NH3+ 165:sc= -0.0353 (180deg=-0.236) USER MOD Single : A 31 TYR OH : rot 180:sc= -0.157 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.73 USER MOD Single : A 37 TYR OH : rot 29:sc= -2.2! USER MOD Single : A 40 SER OG : rot 59:sc= -3.86! USER MOD Single : A 41 HIS :FLIP no HD1:sc= 0.0693 F(o=-0.94,f=0.069) USER MOD Single : A 42 SER OG : rot -7:sc= 0.825 USER MOD Single : A 43 THR OG1 : rot -90:sc= -3.01! USER MOD Single : A 44 GLN : amide:sc= 0.159 K(o=0.16,f=-1.2!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -5.84! C(o=-5.8!,f=-11!) USER MOD Single : A 50 SER OG : rot -58:sc= 0.284 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN :FLIP amide:sc= -0.227 F(o=-3.3!,f=-0.23) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 170:sc= 1.2 USER MOD Single : A 63 LYS NZ :NH3+ 153:sc= -5.44! (180deg=-6.2!) USER MOD Single : A 67 HIS : no HD1:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 79 LYS NZ :NH3+ -113:sc= 0.328 (180deg=-2.06!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 15:sc= 1.06 USER MOD Single : A 87 GLN :FLIP amide:sc= -1.98 F(o=-8!,f=-2) USER MOD Single : A 91 SER OG : rot -16:sc= 0.823 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -84:sc= 1.24 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -110:sc= -0.44! USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 116 SER OG : rot -91:sc= 0.218 USER MOD Single : A 117 HIS : no HD1:sc= -0.0332 X(o=-0.033,f=-0.033) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 1 32.915 -2.084 -1.630 1.00 0.00 N ATOM 21 CA ASN A 1 31.851 -1.122 -1.881 1.00 0.00 C ATOM 22 C ASN A 1 30.915 -1.621 -2.973 1.00 0.00 C ATOM 23 O ASN A 1 31.333 -2.330 -3.889 1.00 0.00 O ATOM 24 CB ASN A 1 32.435 0.236 -2.273 1.00 0.00 C ATOM 25 CG ASN A 1 32.666 1.128 -1.070 1.00 0.00 C ATOM 26 OD1 ASN A 1 31.656 1.914 -0.723 1.00 0.00 O flip ATOM 27 ND2 ASN A 1 33.737 1.110 -0.464 1.00 0.00 N flip ATOM 0 H1 ASN A 1 33.804 -1.578 -1.445 1.00 0.00 H new ATOM 0 H2 ASN A 1 32.669 -2.666 -0.804 1.00 0.00 H new ATOM 0 H3 ASN A 1 33.032 -2.697 -2.462 1.00 0.00 H new ATOM 0 HA ASN A 1 31.279 -1.007 -0.960 1.00 0.00 H new ATOM 0 HB2 ASN A 1 33.378 0.086 -2.799 1.00 0.00 H new ATOM 0 HB3 ASN A 1 31.759 0.734 -2.968 1.00 0.00 H new ATOM 0 HD21 ASN A 1 34.485 0.487 -0.769 1.00 0.00 H new ATOM 0 HD22 ASN A 1 33.876 1.718 0.343 1.00 0.00 H new ATOM 34 N CYS A 2 29.645 -1.246 -2.870 1.00 0.00 N ATOM 35 CA CYS A 2 28.646 -1.658 -3.845 1.00 0.00 C ATOM 36 C CYS A 2 28.417 -0.573 -4.891 1.00 0.00 C ATOM 37 O CYS A 2 28.959 0.527 -4.788 1.00 0.00 O ATOM 38 CB CYS A 2 27.327 -1.991 -3.149 1.00 0.00 C ATOM 39 SG CYS A 2 27.125 -1.216 -1.515 1.00 0.00 S ATOM 0 H CYS A 2 29.284 -0.657 -2.120 1.00 0.00 H new ATOM 0 HA CYS A 2 29.021 -2.549 -4.349 1.00 0.00 H new ATOM 0 HB2 CYS A 2 26.503 -1.679 -3.790 1.00 0.00 H new ATOM 0 HB3 CYS A 2 27.252 -3.073 -3.037 1.00 0.00 H new ATOM 44 N GLY A 3 27.611 -0.894 -5.895 1.00 0.00 N ATOM 45 CA GLY A 3 27.301 0.076 -6.928 1.00 0.00 C ATOM 46 C GLY A 3 26.286 1.095 -6.447 1.00 0.00 C ATOM 47 O GLY A 3 25.645 0.882 -5.417 1.00 0.00 O ATOM 0 H GLY A 3 27.168 -1.805 -6.013 1.00 0.00 H new ATOM 0 HA2 GLY A 3 28.214 0.587 -7.235 1.00 0.00 H new ATOM 0 HA3 GLY A 3 26.913 -0.439 -7.807 1.00 0.00 H new ATOM 51 N PRO A 4 26.119 2.220 -7.165 1.00 0.00 N ATOM 52 CA PRO A 4 25.162 3.263 -6.781 1.00 0.00 C ATOM 53 C PRO A 4 23.812 2.684 -6.360 1.00 0.00 C ATOM 54 O PRO A 4 23.304 1.756 -6.988 1.00 0.00 O ATOM 55 CB PRO A 4 25.032 4.091 -8.056 1.00 0.00 C ATOM 56 CG PRO A 4 26.365 3.964 -8.709 1.00 0.00 C ATOM 57 CD PRO A 4 26.843 2.567 -8.404 1.00 0.00 C ATOM 0 HA PRO A 4 25.494 3.838 -5.917 1.00 0.00 H new ATOM 0 HB2 PRO A 4 24.236 3.713 -8.698 1.00 0.00 H new ATOM 0 HB3 PRO A 4 24.795 5.131 -7.833 1.00 0.00 H new ATOM 0 HG2 PRO A 4 26.290 4.125 -9.784 1.00 0.00 H new ATOM 0 HG3 PRO A 4 27.062 4.708 -8.323 1.00 0.00 H new ATOM 0 HD2 PRO A 4 26.608 1.876 -9.214 1.00 0.00 H new ATOM 0 HD3 PRO A 4 27.923 2.534 -8.261 1.00 0.00 H new ATOM 65 N PRO A 5 23.218 3.230 -5.284 1.00 0.00 N ATOM 66 CA PRO A 5 21.930 2.758 -4.763 1.00 0.00 C ATOM 67 C PRO A 5 20.824 2.774 -5.813 1.00 0.00 C ATOM 68 O PRO A 5 20.510 3.821 -6.380 1.00 0.00 O ATOM 69 CB PRO A 5 21.605 3.745 -3.640 1.00 0.00 C ATOM 70 CG PRO A 5 22.918 4.319 -3.241 1.00 0.00 C ATOM 71 CD PRO A 5 23.750 4.353 -4.492 1.00 0.00 C ATOM 0 HA PRO A 5 21.994 1.721 -4.434 1.00 0.00 H new ATOM 0 HB2 PRO A 5 20.922 4.522 -3.983 1.00 0.00 H new ATOM 0 HB3 PRO A 5 21.122 3.244 -2.801 1.00 0.00 H new ATOM 0 HG2 PRO A 5 22.797 5.319 -2.825 1.00 0.00 H new ATOM 0 HG3 PRO A 5 23.393 3.710 -2.472 1.00 0.00 H new ATOM 0 HD2 PRO A 5 23.646 5.302 -5.019 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.810 4.225 -4.274 1.00 0.00 H new ATOM 79 N PRO A 6 20.219 1.605 -6.084 1.00 0.00 N ATOM 80 CA PRO A 6 19.130 1.489 -7.056 1.00 0.00 C ATOM 81 C PRO A 6 17.877 2.197 -6.570 1.00 0.00 C ATOM 82 O PRO A 6 17.830 2.770 -5.481 1.00 0.00 O ATOM 83 CB PRO A 6 18.877 -0.019 -7.138 1.00 0.00 C ATOM 84 CG PRO A 6 19.405 -0.572 -5.861 1.00 0.00 C ATOM 85 CD PRO A 6 20.552 0.312 -5.466 1.00 0.00 C ATOM 0 HA PRO A 6 19.384 1.942 -8.014 1.00 0.00 H new ATOM 0 HB2 PRO A 6 17.815 -0.235 -7.251 1.00 0.00 H new ATOM 0 HB3 PRO A 6 19.385 -0.458 -7.997 1.00 0.00 H new ATOM 0 HG2 PRO A 6 18.634 -0.577 -5.091 1.00 0.00 H new ATOM 0 HG3 PRO A 6 19.734 -1.603 -5.990 1.00 0.00 H new ATOM 0 HD2 PRO A 6 20.639 0.396 -4.383 1.00 0.00 H new ATOM 0 HD3 PRO A 6 21.502 -0.075 -5.833 1.00 0.00 H new ATOM 93 N THR A 7 16.866 2.133 -7.425 1.00 0.00 N ATOM 94 CA THR A 7 15.581 2.745 -7.137 1.00 0.00 C ATOM 95 C THR A 7 14.625 1.704 -6.573 1.00 0.00 C ATOM 96 O THR A 7 14.477 0.617 -7.134 1.00 0.00 O ATOM 97 CB THR A 7 14.959 3.387 -8.392 1.00 0.00 C ATOM 98 OG1 THR A 7 15.835 4.393 -8.913 1.00 0.00 O ATOM 99 CG2 THR A 7 13.606 4.008 -8.069 1.00 0.00 C ATOM 0 H THR A 7 16.914 1.660 -8.328 1.00 0.00 H new ATOM 0 HA THR A 7 15.749 3.533 -6.403 1.00 0.00 H new ATOM 0 HB THR A 7 14.816 2.606 -9.139 1.00 0.00 H new ATOM 0 HG1 THR A 7 15.433 4.795 -9.711 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.186 4.455 -8.970 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.931 3.237 -7.698 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.731 4.777 -7.307 1.00 0.00 H new ATOM 107 N LEU A 8 13.978 2.035 -5.467 1.00 0.00 N ATOM 108 CA LEU A 8 13.027 1.132 -4.842 1.00 0.00 C ATOM 109 C LEU A 8 11.610 1.658 -5.015 1.00 0.00 C ATOM 110 O LEU A 8 11.235 2.661 -4.421 1.00 0.00 O ATOM 111 CB LEU A 8 13.358 0.968 -3.358 1.00 0.00 C ATOM 112 CG LEU A 8 14.785 0.498 -3.067 1.00 0.00 C ATOM 113 CD1 LEU A 8 15.777 1.642 -3.216 1.00 0.00 C ATOM 114 CD2 LEU A 8 14.876 -0.103 -1.674 1.00 0.00 C ATOM 0 H LEU A 8 14.095 2.925 -4.983 1.00 0.00 H new ATOM 0 HA LEU A 8 13.095 0.157 -5.325 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.195 1.922 -2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.659 0.255 -2.921 1.00 0.00 H new ATOM 0 HG LEU A 8 15.041 -0.271 -3.796 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.783 1.281 -3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.737 2.028 -4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.522 2.438 -2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.898 -0.431 -1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.594 0.647 -0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.202 -0.956 -1.601 1.00 0.00 H new ATOM 126 N SER A 9 10.828 0.986 -5.843 1.00 0.00 N ATOM 127 CA SER A 9 9.458 1.413 -6.086 1.00 0.00 C ATOM 128 C SER A 9 8.600 1.220 -4.840 1.00 0.00 C ATOM 129 O SER A 9 7.418 1.563 -4.829 1.00 0.00 O ATOM 130 CB SER A 9 8.856 0.640 -7.262 1.00 0.00 C ATOM 131 OG SER A 9 8.784 -0.745 -6.979 1.00 0.00 O ATOM 0 H SER A 9 11.113 0.151 -6.354 1.00 0.00 H new ATOM 0 HA SER A 9 9.475 2.474 -6.333 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.859 1.022 -7.480 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.461 0.801 -8.154 1.00 0.00 H new ATOM 0 HG SER A 9 8.394 -1.216 -7.745 1.00 0.00 H new ATOM 137 N PHE A 10 9.205 0.669 -3.791 1.00 0.00 N ATOM 138 CA PHE A 10 8.502 0.439 -2.535 1.00 0.00 C ATOM 139 C PHE A 10 8.996 1.393 -1.449 1.00 0.00 C ATOM 140 O PHE A 10 8.490 1.390 -0.328 1.00 0.00 O ATOM 141 CB PHE A 10 8.667 -1.014 -2.084 1.00 0.00 C ATOM 142 CG PHE A 10 9.997 -1.619 -2.436 1.00 0.00 C ATOM 143 CD1 PHE A 10 10.210 -2.169 -3.691 1.00 0.00 C ATOM 144 CD2 PHE A 10 11.029 -1.642 -1.514 1.00 0.00 C ATOM 145 CE1 PHE A 10 11.429 -2.729 -4.019 1.00 0.00 C ATOM 146 CE2 PHE A 10 12.250 -2.203 -1.836 1.00 0.00 C ATOM 147 CZ PHE A 10 12.450 -2.747 -3.090 1.00 0.00 C ATOM 0 H PHE A 10 10.181 0.374 -3.787 1.00 0.00 H new ATOM 0 HA PHE A 10 7.442 0.633 -2.702 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.531 -1.065 -1.004 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.876 -1.615 -2.534 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.413 -2.159 -4.420 1.00 0.00 H new ATOM 0 HD2 PHE A 10 10.878 -1.217 -0.533 1.00 0.00 H new ATOM 0 HE1 PHE A 10 11.583 -3.152 -5.001 1.00 0.00 H new ATOM 0 HE2 PHE A 10 13.047 -2.216 -1.108 1.00 0.00 H new ATOM 0 HZ PHE A 10 13.404 -3.186 -3.343 1.00 0.00 H new ATOM 157 N ALA A 11 9.986 2.209 -1.800 1.00 0.00 N ATOM 158 CA ALA A 11 10.551 3.178 -0.865 1.00 0.00 C ATOM 159 C ALA A 11 11.225 4.324 -1.612 1.00 0.00 C ATOM 160 O ALA A 11 11.607 4.207 -2.771 1.00 0.00 O ATOM 161 CB ALA A 11 11.559 2.487 0.040 1.00 0.00 C ATOM 0 H ALA A 11 10.414 2.219 -2.726 1.00 0.00 H new ATOM 0 HA ALA A 11 9.742 3.591 -0.262 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.979 3.212 0.737 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.063 1.693 0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.359 2.060 -0.565 1.00 0.00 H new ATOM 167 N ALA A 12 11.371 5.435 -0.904 1.00 0.00 N ATOM 168 CA ALA A 12 12.055 6.594 -1.460 1.00 0.00 C ATOM 169 C ALA A 12 13.091 7.131 -0.469 1.00 0.00 C ATOM 170 O ALA A 12 12.900 7.030 0.741 1.00 0.00 O ATOM 171 CB ALA A 12 11.054 7.678 -1.832 1.00 0.00 C ATOM 0 H ALA A 12 11.028 5.558 0.049 1.00 0.00 H new ATOM 0 HA ALA A 12 12.576 6.285 -2.366 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.584 8.536 -2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.356 7.290 -2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.504 7.986 -0.943 1.00 0.00 H new ATOM 177 N PRO A 13 14.198 7.715 -0.967 1.00 0.00 N ATOM 178 CA PRO A 13 15.267 8.252 -0.108 1.00 0.00 C ATOM 179 C PRO A 13 14.736 9.166 0.993 1.00 0.00 C ATOM 180 O PRO A 13 13.719 9.837 0.823 1.00 0.00 O ATOM 181 CB PRO A 13 16.133 9.048 -1.085 1.00 0.00 C ATOM 182 CG PRO A 13 15.917 8.390 -2.403 1.00 0.00 C ATOM 183 CD PRO A 13 14.491 7.910 -2.399 1.00 0.00 C ATOM 0 HA PRO A 13 15.800 7.460 0.418 1.00 0.00 H new ATOM 0 HB2 PRO A 13 15.837 10.097 -1.113 1.00 0.00 H new ATOM 0 HB3 PRO A 13 17.184 9.021 -0.796 1.00 0.00 H new ATOM 0 HG2 PRO A 13 16.091 9.089 -3.221 1.00 0.00 H new ATOM 0 HG3 PRO A 13 16.608 7.559 -2.542 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.820 8.641 -2.850 1.00 0.00 H new ATOM 0 HD3 PRO A 13 14.378 6.983 -2.962 1.00 0.00 H new ATOM 191 N MET A 14 15.441 9.184 2.125 1.00 0.00 N ATOM 192 CA MET A 14 15.044 10.013 3.258 1.00 0.00 C ATOM 193 C MET A 14 16.236 10.355 4.153 1.00 0.00 C ATOM 194 O MET A 14 16.136 11.208 5.033 1.00 0.00 O ATOM 195 CB MET A 14 13.969 9.301 4.082 1.00 0.00 C ATOM 196 CG MET A 14 13.359 10.170 5.170 1.00 0.00 C ATOM 197 SD MET A 14 12.643 11.692 4.520 1.00 0.00 S ATOM 198 CE MET A 14 12.037 12.453 6.023 1.00 0.00 C ATOM 0 H MET A 14 16.287 8.635 2.279 1.00 0.00 H new ATOM 0 HA MET A 14 14.643 10.944 2.859 1.00 0.00 H new ATOM 0 HB2 MET A 14 13.177 8.961 3.414 1.00 0.00 H new ATOM 0 HB3 MET A 14 14.404 8.412 4.540 1.00 0.00 H new ATOM 0 HG2 MET A 14 12.588 9.604 5.692 1.00 0.00 H new ATOM 0 HG3 MET A 14 14.125 10.418 5.905 1.00 0.00 H new ATOM 0 HE1 MET A 14 11.566 13.406 5.784 1.00 0.00 H new ATOM 0 HE2 MET A 14 11.307 11.796 6.495 1.00 0.00 H new ATOM 0 HE3 MET A 14 12.869 12.621 6.707 1.00 0.00 H new ATOM 208 N ASP A 15 17.365 9.690 3.921 1.00 0.00 N ATOM 209 CA ASP A 15 18.567 9.935 4.715 1.00 0.00 C ATOM 210 C ASP A 15 19.802 9.362 4.028 1.00 0.00 C ATOM 211 O ASP A 15 20.202 8.227 4.290 1.00 0.00 O ATOM 212 CB ASP A 15 18.420 9.327 6.112 1.00 0.00 C ATOM 213 CG ASP A 15 19.386 9.935 7.110 1.00 0.00 C ATOM 214 OD1 ASP A 15 19.046 10.979 7.706 1.00 0.00 O ATOM 215 OD2 ASP A 15 20.483 9.367 7.296 1.00 0.00 O ATOM 0 H ASP A 15 17.473 8.982 3.195 1.00 0.00 H new ATOM 0 HA ASP A 15 18.692 11.014 4.808 1.00 0.00 H new ATOM 0 HB2 ASP A 15 17.399 9.473 6.463 1.00 0.00 H new ATOM 0 HB3 ASP A 15 18.587 8.251 6.057 1.00 0.00 H new ATOM 220 N ILE A 16 20.396 10.157 3.142 1.00 0.00 N ATOM 221 CA ILE A 16 21.580 9.749 2.410 1.00 0.00 C ATOM 222 C ILE A 16 22.040 10.838 1.455 1.00 0.00 C ATOM 223 O ILE A 16 21.480 11.002 0.373 1.00 0.00 O ATOM 224 CB ILE A 16 21.325 8.469 1.596 1.00 0.00 C ATOM 225 CG1 ILE A 16 22.482 8.210 0.627 1.00 0.00 C ATOM 226 CG2 ILE A 16 20.002 8.560 0.850 1.00 0.00 C ATOM 227 CD1 ILE A 16 22.363 6.907 -0.133 1.00 0.00 C ATOM 0 H ILE A 16 20.068 11.096 2.916 1.00 0.00 H new ATOM 0 HA ILE A 16 22.354 9.560 3.154 1.00 0.00 H new ATOM 0 HB ILE A 16 21.265 7.628 2.287 1.00 0.00 H new ATOM 0 HG12 ILE A 16 22.537 9.032 -0.087 1.00 0.00 H new ATOM 0 HG13 ILE A 16 23.418 8.210 1.185 1.00 0.00 H new ATOM 0 HG21 ILE A 16 19.842 7.644 0.281 1.00 0.00 H new ATOM 0 HG22 ILE A 16 19.189 8.690 1.565 1.00 0.00 H new ATOM 0 HG23 ILE A 16 20.026 9.411 0.169 1.00 0.00 H new ATOM 0 HD11 ILE A 16 23.219 6.795 -0.799 1.00 0.00 H new ATOM 0 HD12 ILE A 16 22.340 6.076 0.572 1.00 0.00 H new ATOM 0 HD13 ILE A 16 21.445 6.911 -0.720 1.00 0.00 H new ATOM 239 N THR A 17 23.044 11.599 1.861 1.00 0.00 N ATOM 240 CA THR A 17 23.578 12.634 0.994 1.00 0.00 C ATOM 241 C THR A 17 24.071 11.993 -0.293 1.00 0.00 C ATOM 242 O THR A 17 24.985 11.168 -0.273 1.00 0.00 O ATOM 243 CB THR A 17 24.734 13.407 1.650 1.00 0.00 C ATOM 244 OG1 THR A 17 25.653 12.495 2.260 1.00 0.00 O ATOM 245 CG2 THR A 17 24.208 14.386 2.690 1.00 0.00 C ATOM 0 H THR A 17 23.499 11.521 2.771 1.00 0.00 H new ATOM 0 HA THR A 17 22.778 13.347 0.794 1.00 0.00 H new ATOM 0 HB THR A 17 25.251 13.971 0.874 1.00 0.00 H new ATOM 0 HG1 THR A 17 25.796 11.728 1.666 1.00 0.00 H new ATOM 0 HG21 THR A 17 25.043 14.922 3.141 1.00 0.00 H new ATOM 0 HG22 THR A 17 23.536 15.099 2.212 1.00 0.00 H new ATOM 0 HG23 THR A 17 23.667 13.840 3.463 1.00 0.00 H new ATOM 253 N LEU A 18 23.466 12.367 -1.412 1.00 0.00 N ATOM 254 CA LEU A 18 23.834 11.801 -2.693 1.00 0.00 C ATOM 255 C LEU A 18 25.145 12.392 -3.194 1.00 0.00 C ATOM 256 O LEU A 18 25.423 12.401 -4.393 1.00 0.00 O ATOM 257 CB LEU A 18 22.726 12.048 -3.715 1.00 0.00 C ATOM 258 CG LEU A 18 21.614 10.995 -3.748 1.00 0.00 C ATOM 259 CD1 LEU A 18 22.190 9.615 -4.026 1.00 0.00 C ATOM 260 CD2 LEU A 18 20.838 10.996 -2.443 1.00 0.00 C ATOM 0 H LEU A 18 22.719 13.060 -1.454 1.00 0.00 H new ATOM 0 HA LEU A 18 23.969 10.727 -2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 18 22.277 13.020 -3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 18 23.176 12.107 -4.706 1.00 0.00 H new ATOM 0 HG LEU A 18 20.927 11.249 -4.556 1.00 0.00 H new ATOM 0 HD11 LEU A 18 21.384 8.881 -4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 18 22.699 9.621 -4.990 1.00 0.00 H new ATOM 0 HD13 LEU A 18 22.901 9.353 -3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 18 20.053 10.241 -2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 18 21.513 10.770 -1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 18 20.390 11.977 -2.287 1.00 0.00 H new ATOM 272 N THR A 19 25.946 12.872 -2.259 1.00 0.00 N ATOM 273 CA THR A 19 27.228 13.479 -2.577 1.00 0.00 C ATOM 274 C THR A 19 28.275 12.421 -2.900 1.00 0.00 C ATOM 275 O THR A 19 29.323 12.723 -3.470 1.00 0.00 O ATOM 276 CB THR A 19 27.723 14.352 -1.411 1.00 0.00 C ATOM 277 OG1 THR A 19 27.927 13.542 -0.245 1.00 0.00 O ATOM 278 CG2 THR A 19 26.711 15.446 -1.101 1.00 0.00 C ATOM 0 H THR A 19 25.728 12.853 -1.263 1.00 0.00 H new ATOM 0 HA THR A 19 27.082 14.106 -3.457 1.00 0.00 H new ATOM 0 HB THR A 19 28.667 14.814 -1.700 1.00 0.00 H new ATOM 0 HG1 THR A 19 28.244 14.104 0.493 1.00 0.00 H new ATOM 0 HG21 THR A 19 27.076 16.055 -0.274 1.00 0.00 H new ATOM 0 HG22 THR A 19 26.573 16.074 -1.981 1.00 0.00 H new ATOM 0 HG23 THR A 19 25.758 14.993 -0.826 1.00 0.00 H new ATOM 286 N GLU A 20 27.981 11.178 -2.533 1.00 0.00 N ATOM 287 CA GLU A 20 28.893 10.071 -2.789 1.00 0.00 C ATOM 288 C GLU A 20 28.347 9.170 -3.892 1.00 0.00 C ATOM 289 O GLU A 20 27.261 9.410 -4.422 1.00 0.00 O ATOM 290 CB GLU A 20 29.119 9.263 -1.510 1.00 0.00 C ATOM 291 CG GLU A 20 29.659 10.095 -0.358 1.00 0.00 C ATOM 292 CD GLU A 20 29.849 9.286 0.910 1.00 0.00 C ATOM 293 OE1 GLU A 20 28.844 8.762 1.436 1.00 0.00 O ATOM 294 OE2 GLU A 20 31.002 9.175 1.376 1.00 0.00 O ATOM 0 H GLU A 20 27.118 10.913 -2.058 1.00 0.00 H new ATOM 0 HA GLU A 20 29.848 10.481 -3.119 1.00 0.00 H new ATOM 0 HB2 GLU A 20 28.177 8.805 -1.207 1.00 0.00 H new ATOM 0 HB3 GLU A 20 29.816 8.451 -1.720 1.00 0.00 H new ATOM 0 HG2 GLU A 20 30.613 10.536 -0.649 1.00 0.00 H new ATOM 0 HG3 GLU A 20 28.975 10.920 -0.159 1.00 0.00 H new ATOM 301 N THR A 21 29.104 8.133 -4.233 1.00 0.00 N ATOM 302 CA THR A 21 28.697 7.202 -5.278 1.00 0.00 C ATOM 303 C THR A 21 28.844 5.756 -4.828 1.00 0.00 C ATOM 304 O THR A 21 28.225 4.851 -5.389 1.00 0.00 O ATOM 305 CB THR A 21 29.528 7.398 -6.553 1.00 0.00 C ATOM 306 OG1 THR A 21 30.746 8.087 -6.243 1.00 0.00 O ATOM 307 CG2 THR A 21 28.745 8.177 -7.599 1.00 0.00 C ATOM 0 H THR A 21 30.002 7.916 -3.801 1.00 0.00 H new ATOM 0 HA THR A 21 27.648 7.412 -5.486 1.00 0.00 H new ATOM 0 HB THR A 21 29.763 6.415 -6.962 1.00 0.00 H new ATOM 0 HG1 THR A 21 31.272 8.207 -7.061 1.00 0.00 H new ATOM 0 HG21 THR A 21 29.356 8.302 -8.493 1.00 0.00 H new ATOM 0 HG22 THR A 21 27.837 7.631 -7.854 1.00 0.00 H new ATOM 0 HG23 THR A 21 28.480 9.156 -7.201 1.00 0.00 H new ATOM 315 N ARG A 22 29.666 5.548 -3.812 1.00 0.00 N ATOM 316 CA ARG A 22 29.904 4.213 -3.278 1.00 0.00 C ATOM 317 C ARG A 22 29.502 4.158 -1.812 1.00 0.00 C ATOM 318 O ARG A 22 29.473 5.185 -1.134 1.00 0.00 O ATOM 319 CB ARG A 22 31.370 3.828 -3.416 1.00 0.00 C ATOM 320 CG ARG A 22 31.946 4.097 -4.796 1.00 0.00 C ATOM 321 CD ARG A 22 33.359 3.552 -4.932 1.00 0.00 C ATOM 322 NE ARG A 22 34.267 4.110 -3.933 1.00 0.00 N ATOM 323 CZ ARG A 22 35.536 3.730 -3.797 1.00 0.00 C ATOM 324 NH1 ARG A 22 36.041 2.798 -4.593 1.00 0.00 N ATOM 325 NH2 ARG A 22 36.299 4.283 -2.864 1.00 0.00 N ATOM 0 H ARG A 22 30.182 6.289 -3.338 1.00 0.00 H new ATOM 0 HA ARG A 22 29.301 3.507 -3.849 1.00 0.00 H new ATOM 0 HB2 ARG A 22 31.952 4.378 -2.676 1.00 0.00 H new ATOM 0 HB3 ARG A 22 31.481 2.768 -3.186 1.00 0.00 H new ATOM 0 HG2 ARG A 22 31.306 3.642 -5.552 1.00 0.00 H new ATOM 0 HG3 ARG A 22 31.950 5.170 -4.986 1.00 0.00 H new ATOM 0 HD2 ARG A 22 33.338 2.467 -4.835 1.00 0.00 H new ATOM 0 HD3 ARG A 22 33.738 3.776 -5.929 1.00 0.00 H new ATOM 0 HE ARG A 22 33.909 4.830 -3.305 1.00 0.00 H new ATOM 0 HH11 ARG A 22 35.457 2.370 -5.312 1.00 0.00 H new ATOM 0 HH12 ARG A 22 37.013 2.509 -4.487 1.00 0.00 H new ATOM 0 HH21 ARG A 22 35.914 5.000 -2.249 1.00 0.00 H new ATOM 0 HH22 ARG A 22 37.271 3.991 -2.761 1.00 0.00 H new ATOM 339 N PHE A 23 29.193 2.964 -1.318 1.00 0.00 N ATOM 340 CA PHE A 23 28.778 2.788 0.070 1.00 0.00 C ATOM 341 C PHE A 23 29.289 1.457 0.617 1.00 0.00 C ATOM 342 O PHE A 23 28.815 0.391 0.229 1.00 0.00 O ATOM 343 CB PHE A 23 27.250 2.857 0.167 1.00 0.00 C ATOM 344 CG PHE A 23 26.673 4.118 -0.412 1.00 0.00 C ATOM 345 CD1 PHE A 23 26.562 4.273 -1.784 1.00 0.00 C ATOM 346 CD2 PHE A 23 26.257 5.153 0.411 1.00 0.00 C ATOM 347 CE1 PHE A 23 26.051 5.432 -2.325 1.00 0.00 C ATOM 348 CE2 PHE A 23 25.742 6.319 -0.128 1.00 0.00 C ATOM 349 CZ PHE A 23 25.640 6.458 -1.498 1.00 0.00 C ATOM 0 H PHE A 23 29.222 2.100 -1.860 1.00 0.00 H new ATOM 0 HA PHE A 23 29.207 3.590 0.671 1.00 0.00 H new ATOM 0 HB2 PHE A 23 26.821 1.999 -0.350 1.00 0.00 H new ATOM 0 HB3 PHE A 23 26.956 2.778 1.214 1.00 0.00 H new ATOM 0 HD1 PHE A 23 26.880 3.475 -2.438 1.00 0.00 H new ATOM 0 HD2 PHE A 23 26.336 5.048 1.483 1.00 0.00 H new ATOM 0 HE1 PHE A 23 25.972 5.538 -3.397 1.00 0.00 H new ATOM 0 HE2 PHE A 23 25.420 7.119 0.522 1.00 0.00 H new ATOM 0 HZ PHE A 23 25.240 7.367 -1.922 1.00 0.00 H new ATOM 359 N LYS A 24 30.268 1.532 1.517 1.00 0.00 N ATOM 360 CA LYS A 24 30.868 0.336 2.107 1.00 0.00 C ATOM 361 C LYS A 24 29.822 -0.571 2.741 1.00 0.00 C ATOM 362 O LYS A 24 28.655 -0.201 2.875 1.00 0.00 O ATOM 363 CB LYS A 24 31.925 0.720 3.143 1.00 0.00 C ATOM 364 CG LYS A 24 31.606 2.001 3.899 1.00 0.00 C ATOM 365 CD LYS A 24 30.667 1.747 5.066 1.00 0.00 C ATOM 366 CE LYS A 24 30.358 3.030 5.820 1.00 0.00 C ATOM 367 NZ LYS A 24 29.738 4.057 4.937 1.00 0.00 N ATOM 0 H LYS A 24 30.663 2.410 1.854 1.00 0.00 H new ATOM 0 HA LYS A 24 31.344 -0.219 1.298 1.00 0.00 H new ATOM 0 HB2 LYS A 24 32.033 -0.096 3.858 1.00 0.00 H new ATOM 0 HB3 LYS A 24 32.886 0.834 2.642 1.00 0.00 H new ATOM 0 HG2 LYS A 24 32.531 2.446 4.266 1.00 0.00 H new ATOM 0 HG3 LYS A 24 31.153 2.722 3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 24 29.740 1.307 4.699 1.00 0.00 H new ATOM 0 HD3 LYS A 24 31.117 1.023 5.746 1.00 0.00 H new ATOM 0 HE2 LYS A 24 29.686 2.811 6.650 1.00 0.00 H new ATOM 0 HE3 LYS A 24 31.277 3.428 6.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 30.412 4.833 4.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 29.489 3.625 4.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 28.879 4.431 5.389 1.00 0.00 H new ATOM 381 N THR A 25 30.259 -1.763 3.139 1.00 0.00 N ATOM 382 CA THR A 25 29.380 -2.742 3.748 1.00 0.00 C ATOM 383 C THR A 25 28.901 -2.300 5.127 1.00 0.00 C ATOM 384 O THR A 25 28.034 -2.941 5.721 1.00 0.00 O ATOM 385 CB THR A 25 30.078 -4.104 3.868 1.00 0.00 C ATOM 386 OG1 THR A 25 31.400 -3.936 4.391 1.00 0.00 O ATOM 387 CG2 THR A 25 30.140 -4.811 2.519 1.00 0.00 C ATOM 0 H THR A 25 31.227 -2.071 3.047 1.00 0.00 H new ATOM 0 HA THR A 25 28.512 -2.832 3.095 1.00 0.00 H new ATOM 0 HB THR A 25 29.496 -4.722 4.551 1.00 0.00 H new ATOM 0 HG1 THR A 25 31.836 -4.811 4.465 1.00 0.00 H new ATOM 0 HG21 THR A 25 30.640 -5.773 2.635 1.00 0.00 H new ATOM 0 HG22 THR A 25 29.129 -4.970 2.145 1.00 0.00 H new ATOM 0 HG23 THR A 25 30.696 -4.196 1.811 1.00 0.00 H new ATOM 395 N GLY A 26 29.464 -1.211 5.634 1.00 0.00 N ATOM 396 CA GLY A 26 29.076 -0.702 6.940 1.00 0.00 C ATOM 397 C GLY A 26 28.140 0.481 6.827 1.00 0.00 C ATOM 398 O GLY A 26 27.961 1.243 7.777 1.00 0.00 O ATOM 0 H GLY A 26 30.187 -0.667 5.163 1.00 0.00 H new ATOM 0 HA2 GLY A 26 28.592 -1.495 7.510 1.00 0.00 H new ATOM 0 HA3 GLY A 26 29.967 -0.409 7.495 1.00 0.00 H new ATOM 402 N THR A 27 27.547 0.627 5.651 1.00 0.00 N ATOM 403 CA THR A 27 26.621 1.717 5.385 1.00 0.00 C ATOM 404 C THR A 27 25.182 1.230 5.491 1.00 0.00 C ATOM 405 O THR A 27 24.912 0.039 5.343 1.00 0.00 O ATOM 406 CB THR A 27 26.843 2.320 3.988 1.00 0.00 C ATOM 407 OG1 THR A 27 26.380 3.677 3.963 1.00 0.00 O ATOM 408 CG2 THR A 27 26.108 1.515 2.929 1.00 0.00 C ATOM 0 H THR A 27 27.693 -0.001 4.861 1.00 0.00 H new ATOM 0 HA THR A 27 26.808 2.488 6.132 1.00 0.00 H new ATOM 0 HB THR A 27 27.911 2.293 3.770 1.00 0.00 H new ATOM 0 HG1 THR A 27 26.797 4.151 3.214 1.00 0.00 H new ATOM 0 HG21 THR A 27 26.280 1.960 1.949 1.00 0.00 H new ATOM 0 HG22 THR A 27 26.476 0.489 2.931 1.00 0.00 H new ATOM 0 HG23 THR A 27 25.040 1.517 3.146 1.00 0.00 H new ATOM 416 N THR A 28 24.262 2.149 5.741 1.00 0.00 N ATOM 417 CA THR A 28 22.856 1.794 5.854 1.00 0.00 C ATOM 418 C THR A 28 21.963 3.001 5.602 1.00 0.00 C ATOM 419 O THR A 28 22.090 4.032 6.263 1.00 0.00 O ATOM 420 CB THR A 28 22.530 1.200 7.237 1.00 0.00 C ATOM 421 OG1 THR A 28 23.327 0.033 7.471 1.00 0.00 O ATOM 422 CG2 THR A 28 21.055 0.839 7.341 1.00 0.00 C ATOM 0 H THR A 28 24.462 3.141 5.869 1.00 0.00 H new ATOM 0 HA THR A 28 22.660 1.038 5.094 1.00 0.00 H new ATOM 0 HB THR A 28 22.757 1.954 7.991 1.00 0.00 H new ATOM 0 HG1 THR A 28 23.114 -0.337 8.353 1.00 0.00 H new ATOM 0 HG21 THR A 28 20.851 0.422 8.327 1.00 0.00 H new ATOM 0 HG22 THR A 28 20.450 1.734 7.194 1.00 0.00 H new ATOM 0 HG23 THR A 28 20.806 0.103 6.577 1.00 0.00 H new ATOM 430 N LEU A 29 21.060 2.863 4.640 1.00 0.00 N ATOM 431 CA LEU A 29 20.163 3.948 4.276 1.00 0.00 C ATOM 432 C LEU A 29 18.900 3.931 5.131 1.00 0.00 C ATOM 433 O LEU A 29 18.732 3.072 5.996 1.00 0.00 O ATOM 434 CB LEU A 29 19.794 3.861 2.792 1.00 0.00 C ATOM 435 CG LEU A 29 20.975 3.933 1.820 1.00 0.00 C ATOM 436 CD1 LEU A 29 21.751 2.626 1.818 1.00 0.00 C ATOM 437 CD2 LEU A 29 20.491 4.256 0.416 1.00 0.00 C ATOM 0 H LEU A 29 20.931 2.009 4.098 1.00 0.00 H new ATOM 0 HA LEU A 29 20.685 4.888 4.458 1.00 0.00 H new ATOM 0 HB2 LEU A 29 19.260 2.926 2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 29 19.102 4.670 2.558 1.00 0.00 H new ATOM 0 HG LEU A 29 21.640 4.730 2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 29 22.585 2.699 1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 29 22.132 2.427 2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 29 21.093 1.813 1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 29 21.344 4.303 -0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 29 19.804 3.479 0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 29 19.978 5.218 0.420 1.00 0.00 H new ATOM 449 N LYS A 30 18.015 4.893 4.883 1.00 0.00 N ATOM 450 CA LYS A 30 16.761 4.996 5.619 1.00 0.00 C ATOM 451 C LYS A 30 15.579 4.688 4.708 1.00 0.00 C ATOM 452 O LYS A 30 15.020 3.592 4.747 1.00 0.00 O ATOM 453 CB LYS A 30 16.603 6.400 6.210 1.00 0.00 C ATOM 454 CG LYS A 30 15.419 6.533 7.153 1.00 0.00 C ATOM 455 CD LYS A 30 15.602 5.686 8.403 1.00 0.00 C ATOM 456 CE LYS A 30 16.700 6.240 9.297 1.00 0.00 C ATOM 457 NZ LYS A 30 16.329 7.562 9.874 1.00 0.00 N ATOM 0 H LYS A 30 18.145 5.615 4.174 1.00 0.00 H new ATOM 0 HA LYS A 30 16.782 4.268 6.430 1.00 0.00 H new ATOM 0 HB2 LYS A 30 17.515 6.665 6.745 1.00 0.00 H new ATOM 0 HB3 LYS A 30 16.492 7.117 5.397 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.294 7.578 7.436 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.507 6.231 6.638 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.665 5.648 8.958 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.846 4.663 8.118 1.00 0.00 H new ATOM 0 HE2 LYS A 30 16.902 5.535 10.104 1.00 0.00 H new ATOM 0 HE3 LYS A 30 17.621 6.340 8.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.969 7.789 10.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 16.408 8.295 9.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.350 7.526 10.223 1.00 0.00 H new ATOM 471 N TYR A 31 15.209 5.671 3.891 1.00 0.00 N ATOM 472 CA TYR A 31 14.101 5.529 2.952 1.00 0.00 C ATOM 473 C TYR A 31 12.762 5.374 3.668 1.00 0.00 C ATOM 474 O TYR A 31 12.661 4.717 4.703 1.00 0.00 O ATOM 475 CB TYR A 31 14.340 4.341 2.016 1.00 0.00 C ATOM 476 CG TYR A 31 15.289 4.650 0.879 1.00 0.00 C ATOM 477 CD1 TYR A 31 16.567 5.136 1.127 1.00 0.00 C ATOM 478 CD2 TYR A 31 14.906 4.461 -0.442 1.00 0.00 C ATOM 479 CE1 TYR A 31 17.434 5.424 0.092 1.00 0.00 C ATOM 480 CE2 TYR A 31 15.768 4.747 -1.483 1.00 0.00 C ATOM 481 CZ TYR A 31 17.031 5.228 -1.211 1.00 0.00 C ATOM 482 OH TYR A 31 17.892 5.515 -2.245 1.00 0.00 O ATOM 0 H TYR A 31 15.666 6.583 3.861 1.00 0.00 H new ATOM 0 HA TYR A 31 14.056 6.445 2.363 1.00 0.00 H new ATOM 0 HB2 TYR A 31 14.738 3.507 2.594 1.00 0.00 H new ATOM 0 HB3 TYR A 31 13.385 4.016 1.603 1.00 0.00 H new ATOM 0 HD1 TYR A 31 16.887 5.291 2.147 1.00 0.00 H new ATOM 0 HD2 TYR A 31 13.918 4.084 -0.659 1.00 0.00 H new ATOM 0 HE1 TYR A 31 18.424 5.801 0.303 1.00 0.00 H new ATOM 0 HE2 TYR A 31 15.454 4.594 -2.505 1.00 0.00 H new ATOM 0 HH TYR A 31 17.454 5.320 -3.099 1.00 0.00 H new ATOM 492 N THR A 32 11.736 5.996 3.094 1.00 0.00 N ATOM 493 CA THR A 32 10.388 5.942 3.645 1.00 0.00 C ATOM 494 C THR A 32 9.458 5.193 2.696 1.00 0.00 C ATOM 495 O THR A 32 9.838 4.878 1.569 1.00 0.00 O ATOM 496 CB THR A 32 9.833 7.356 3.912 1.00 0.00 C ATOM 497 OG1 THR A 32 8.440 7.418 3.579 1.00 0.00 O ATOM 498 CG2 THR A 32 10.600 8.400 3.114 1.00 0.00 C ATOM 0 H THR A 32 11.816 6.548 2.240 1.00 0.00 H new ATOM 0 HA THR A 32 10.439 5.410 4.595 1.00 0.00 H new ATOM 0 HB THR A 32 9.956 7.570 4.974 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.101 8.321 3.755 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.190 9.389 3.319 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.651 8.377 3.400 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.509 8.183 2.050 1.00 0.00 H new ATOM 506 N CYS A 33 8.241 4.909 3.148 1.00 0.00 N ATOM 507 CA CYS A 33 7.284 4.180 2.324 1.00 0.00 C ATOM 508 C CYS A 33 6.005 4.972 2.078 1.00 0.00 C ATOM 509 O CYS A 33 5.221 5.243 2.988 1.00 0.00 O ATOM 510 CB CYS A 33 6.931 2.846 2.981 1.00 0.00 C ATOM 511 SG CYS A 33 8.093 1.497 2.605 1.00 0.00 S ATOM 0 H CYS A 33 7.896 5.170 4.072 1.00 0.00 H new ATOM 0 HA CYS A 33 7.763 4.010 1.360 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.891 2.985 4.061 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.932 2.550 2.661 1.00 0.00 H new ATOM 516 N LEU A 34 5.845 5.338 0.807 1.00 0.00 N ATOM 517 CA LEU A 34 4.692 6.096 0.331 1.00 0.00 C ATOM 518 C LEU A 34 3.424 5.708 1.092 1.00 0.00 C ATOM 519 O LEU A 34 2.851 4.644 0.870 1.00 0.00 O ATOM 520 CB LEU A 34 4.506 5.872 -1.169 1.00 0.00 C ATOM 521 CG LEU A 34 5.791 5.989 -1.997 1.00 0.00 C ATOM 522 CD1 LEU A 34 5.509 5.732 -3.469 1.00 0.00 C ATOM 523 CD2 LEU A 34 6.425 7.359 -1.803 1.00 0.00 C ATOM 0 H LEU A 34 6.518 5.114 0.074 1.00 0.00 H new ATOM 0 HA LEU A 34 4.878 7.155 0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.078 4.882 -1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.781 6.595 -1.544 1.00 0.00 H new ATOM 0 HG LEU A 34 6.493 5.231 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.435 5.820 -4.038 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.102 4.728 -3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.788 6.463 -3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.336 7.426 -2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.726 8.132 -2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.668 7.502 -0.750 1.00 0.00 H new ATOM 535 N PRO A 35 2.980 6.592 1.997 1.00 0.00 N ATOM 536 CA PRO A 35 1.806 6.387 2.839 1.00 0.00 C ATOM 537 C PRO A 35 0.719 5.511 2.216 1.00 0.00 C ATOM 538 O PRO A 35 0.261 5.760 1.103 1.00 0.00 O ATOM 539 CB PRO A 35 1.295 7.812 3.030 1.00 0.00 C ATOM 540 CG PRO A 35 2.513 8.682 2.968 1.00 0.00 C ATOM 541 CD PRO A 35 3.597 7.897 2.267 1.00 0.00 C ATOM 0 HA PRO A 35 2.063 5.853 3.754 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.580 8.081 2.252 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.782 7.921 3.986 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.298 9.605 2.429 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.833 8.966 3.971 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.911 8.387 1.346 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.484 7.796 2.893 1.00 0.00 H new ATOM 549 N GLY A 36 0.318 4.485 2.964 1.00 0.00 N ATOM 550 CA GLY A 36 -0.738 3.602 2.498 1.00 0.00 C ATOM 551 C GLY A 36 -0.287 2.175 2.243 1.00 0.00 C ATOM 552 O GLY A 36 -1.029 1.244 2.541 1.00 0.00 O ATOM 0 H GLY A 36 0.703 4.251 3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.540 3.592 3.236 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.157 4.009 1.578 1.00 0.00 H new ATOM 556 N TYR A 37 0.902 2.026 1.646 1.00 0.00 N ATOM 557 CA TYR A 37 1.491 0.720 1.306 1.00 0.00 C ATOM 558 C TYR A 37 0.746 -0.488 1.866 1.00 0.00 C ATOM 559 O TYR A 37 0.236 -0.493 2.986 1.00 0.00 O ATOM 560 CB TYR A 37 2.960 0.678 1.705 1.00 0.00 C ATOM 561 CG TYR A 37 3.868 1.104 0.577 1.00 0.00 C ATOM 562 CD1 TYR A 37 4.141 0.243 -0.478 1.00 0.00 C ATOM 563 CD2 TYR A 37 4.438 2.366 0.557 1.00 0.00 C ATOM 564 CE1 TYR A 37 4.962 0.630 -1.519 1.00 0.00 C ATOM 565 CE2 TYR A 37 5.255 2.760 -0.483 1.00 0.00 C ATOM 566 CZ TYR A 37 5.515 1.891 -1.517 1.00 0.00 C ATOM 567 OH TYR A 37 6.324 2.289 -2.554 1.00 0.00 O ATOM 0 H TYR A 37 1.490 2.816 1.382 1.00 0.00 H new ATOM 0 HA TYR A 37 1.395 0.635 0.224 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.120 1.329 2.564 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.221 -0.333 2.018 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.704 -0.745 -0.484 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.240 3.052 1.367 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.169 -0.053 -2.330 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.689 3.749 -0.485 1.00 0.00 H new ATOM 0 HH TYR A 37 6.060 1.821 -3.373 1.00 0.00 H new ATOM 577 N VAL A 38 0.791 -1.548 1.072 1.00 0.00 N ATOM 578 CA VAL A 38 0.062 -2.761 1.400 1.00 0.00 C ATOM 579 C VAL A 38 1.001 -3.875 1.869 1.00 0.00 C ATOM 580 O VAL A 38 2.202 -3.846 1.601 1.00 0.00 O ATOM 581 CB VAL A 38 -0.749 -3.235 0.186 1.00 0.00 C ATOM 582 CG1 VAL A 38 -1.571 -4.455 0.534 1.00 0.00 C ATOM 583 CG2 VAL A 38 -1.644 -2.114 -0.315 1.00 0.00 C ATOM 0 H VAL A 38 1.321 -1.592 0.202 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.616 -2.528 2.221 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.055 -3.510 -0.608 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.138 -4.774 -0.341 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.909 -5.261 0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.260 -4.211 1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.215 -2.461 -1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.330 -1.814 0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.031 -1.261 -0.606 1.00 0.00 H new ATOM 593 N ARG A 39 0.413 -4.844 2.582 1.00 0.00 N ATOM 594 CA ARG A 39 1.124 -5.997 3.147 1.00 0.00 C ATOM 595 C ARG A 39 2.518 -6.192 2.568 1.00 0.00 C ATOM 596 O ARG A 39 2.676 -6.496 1.386 1.00 0.00 O ATOM 597 CB ARG A 39 0.307 -7.271 2.945 1.00 0.00 C ATOM 598 CG ARG A 39 0.979 -8.521 3.494 1.00 0.00 C ATOM 599 CD ARG A 39 0.069 -9.733 3.392 1.00 0.00 C ATOM 600 NE ARG A 39 0.731 -10.956 3.839 1.00 0.00 N ATOM 601 CZ ARG A 39 0.196 -12.169 3.729 1.00 0.00 C ATOM 602 NH1 ARG A 39 -1.010 -12.319 3.195 1.00 0.00 N ATOM 603 NH2 ARG A 39 0.864 -13.233 4.152 1.00 0.00 N ATOM 0 H ARG A 39 -0.586 -4.849 2.786 1.00 0.00 H new ATOM 0 HA ARG A 39 1.247 -5.788 4.210 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.664 -7.150 3.426 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.120 -7.407 1.880 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.902 -8.710 2.945 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.255 -8.359 4.536 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.826 -9.566 3.992 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.258 -9.855 2.359 1.00 0.00 H new ATOM 0 HE ARG A 39 1.657 -10.875 4.260 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.528 -11.503 2.868 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.419 -13.250 3.111 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.791 -13.123 4.563 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.451 -14.162 4.066 1.00 0.00 H new ATOM 617 N SER A 40 3.519 -6.032 3.428 1.00 0.00 N ATOM 618 CA SER A 40 4.915 -6.191 3.040 1.00 0.00 C ATOM 619 C SER A 40 5.839 -5.758 4.169 1.00 0.00 C ATOM 620 O SER A 40 7.002 -6.154 4.217 1.00 0.00 O ATOM 621 CB SER A 40 5.223 -5.372 1.790 1.00 0.00 C ATOM 622 OG SER A 40 6.584 -5.496 1.421 1.00 0.00 O ATOM 0 H SER A 40 3.386 -5.789 4.410 1.00 0.00 H new ATOM 0 HA SER A 40 5.084 -7.246 2.826 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.589 -5.705 0.968 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.986 -4.324 1.971 1.00 0.00 H new ATOM 0 HG SER A 40 6.793 -6.439 1.254 1.00 0.00 H new ATOM 628 N HIS A 41 5.307 -4.947 5.080 1.00 0.00 N ATOM 629 CA HIS A 41 6.086 -4.436 6.209 1.00 0.00 C ATOM 630 C HIS A 41 6.932 -5.529 6.852 1.00 0.00 C ATOM 631 O HIS A 41 6.410 -6.531 7.338 1.00 0.00 O ATOM 632 CB HIS A 41 5.172 -3.801 7.257 1.00 0.00 C ATOM 633 CG HIS A 41 3.791 -4.385 7.293 1.00 0.00 C ATOM 634 ND1 HIS A 41 2.687 -4.098 6.562 1.00 0.00 N flip ATOM 635 CD2 HIS A 41 3.422 -5.392 8.162 1.00 0.00 C flip ATOM 636 CE1 HIS A 41 1.684 -4.927 6.999 1.00 0.00 C flip ATOM 637 NE2 HIS A 41 2.152 -5.698 7.963 1.00 0.00 N flip ATOM 0 H HIS A 41 4.338 -4.628 5.060 1.00 0.00 H new ATOM 0 HA HIS A 41 6.759 -3.674 5.816 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.629 -3.914 8.240 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.099 -2.731 7.061 1.00 0.00 H new ATOM 0 HD2 HIS A 41 4.070 -5.857 8.890 1.00 0.00 H new ATOM 0 HE1 HIS A 41 0.674 -4.946 6.616 1.00 0.00 H new ATOM 0 HE2 HIS A 41 1.623 -6.409 8.468 1.00 0.00 H new ATOM 646 N SER A 42 8.248 -5.319 6.852 1.00 0.00 N ATOM 647 CA SER A 42 9.178 -6.280 7.430 1.00 0.00 C ATOM 648 C SER A 42 10.532 -5.636 7.720 1.00 0.00 C ATOM 649 O SER A 42 11.342 -6.188 8.463 1.00 0.00 O ATOM 650 CB SER A 42 9.363 -7.472 6.488 1.00 0.00 C ATOM 651 OG SER A 42 8.150 -8.181 6.313 1.00 0.00 O ATOM 0 H SER A 42 8.692 -4.490 6.457 1.00 0.00 H new ATOM 0 HA SER A 42 8.755 -6.627 8.373 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.725 -7.122 5.521 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.124 -8.141 6.890 1.00 0.00 H new ATOM 0 HG SER A 42 7.473 -7.828 6.928 1.00 0.00 H new ATOM 657 N THR A 43 10.769 -4.466 7.133 1.00 0.00 N ATOM 658 CA THR A 43 12.034 -3.755 7.325 1.00 0.00 C ATOM 659 C THR A 43 11.930 -2.310 6.841 1.00 0.00 C ATOM 660 O THR A 43 10.834 -1.756 6.771 1.00 0.00 O ATOM 661 CB THR A 43 13.189 -4.444 6.573 1.00 0.00 C ATOM 662 OG1 THR A 43 12.875 -5.820 6.327 1.00 0.00 O ATOM 663 CG2 THR A 43 14.482 -4.356 7.370 1.00 0.00 C ATOM 0 H THR A 43 10.105 -3.990 6.522 1.00 0.00 H new ATOM 0 HA THR A 43 12.243 -3.770 8.395 1.00 0.00 H new ATOM 0 HB THR A 43 13.324 -3.928 5.622 1.00 0.00 H new ATOM 0 HG1 THR A 43 13.191 -6.367 7.077 1.00 0.00 H new ATOM 0 HG21 THR A 43 15.283 -4.849 6.819 1.00 0.00 H new ATOM 0 HG22 THR A 43 14.741 -3.309 7.528 1.00 0.00 H new ATOM 0 HG23 THR A 43 14.349 -4.847 8.334 1.00 0.00 H new ATOM 671 N GLN A 44 13.080 -1.706 6.515 1.00 0.00 N ATOM 672 CA GLN A 44 13.123 -0.323 6.034 1.00 0.00 C ATOM 673 C GLN A 44 14.559 0.203 5.994 1.00 0.00 C ATOM 674 O GLN A 44 14.803 1.368 6.307 1.00 0.00 O ATOM 675 CB GLN A 44 12.274 0.577 6.939 1.00 0.00 C ATOM 676 CG GLN A 44 11.886 1.901 6.302 1.00 0.00 C ATOM 677 CD GLN A 44 10.797 2.617 7.077 1.00 0.00 C ATOM 678 OE1 GLN A 44 9.938 1.984 7.691 1.00 0.00 O ATOM 679 NE2 GLN A 44 10.828 3.944 7.056 1.00 0.00 N ATOM 0 H GLN A 44 13.993 -2.156 6.576 1.00 0.00 H new ATOM 0 HA GLN A 44 12.720 -0.308 5.021 1.00 0.00 H new ATOM 0 HB2 GLN A 44 11.368 0.041 7.220 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.825 0.775 7.858 1.00 0.00 H new ATOM 0 HG2 GLN A 44 12.765 2.542 6.239 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.546 1.725 5.281 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.558 4.429 6.534 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.122 4.479 7.562 1.00 0.00 H new ATOM 688 N THR A 45 15.508 -0.647 5.594 1.00 0.00 N ATOM 689 CA THR A 45 16.913 -0.240 5.540 1.00 0.00 C ATOM 690 C THR A 45 17.697 -0.990 4.463 1.00 0.00 C ATOM 691 O THR A 45 17.500 -2.186 4.250 1.00 0.00 O ATOM 692 CB THR A 45 17.611 -0.459 6.895 1.00 0.00 C ATOM 693 OG1 THR A 45 17.465 -1.824 7.307 1.00 0.00 O ATOM 694 CG2 THR A 45 17.033 0.461 7.957 1.00 0.00 C ATOM 0 H THR A 45 15.332 -1.610 5.306 1.00 0.00 H new ATOM 0 HA THR A 45 16.906 0.822 5.293 1.00 0.00 H new ATOM 0 HB THR A 45 18.669 -0.228 6.775 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.913 -1.955 8.169 1.00 0.00 H new ATOM 0 HG21 THR A 45 17.542 0.287 8.905 1.00 0.00 H new ATOM 0 HG22 THR A 45 17.173 1.499 7.655 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.969 0.258 8.074 1.00 0.00 H new ATOM 702 N LEU A 46 18.587 -0.261 3.791 1.00 0.00 N ATOM 703 CA LEU A 46 19.431 -0.829 2.741 1.00 0.00 C ATOM 704 C LEU A 46 20.884 -0.860 3.214 1.00 0.00 C ATOM 705 O LEU A 46 21.466 0.179 3.519 1.00 0.00 O ATOM 706 CB LEU A 46 19.314 -0.008 1.451 1.00 0.00 C ATOM 707 CG LEU A 46 18.238 -0.482 0.467 1.00 0.00 C ATOM 708 CD1 LEU A 46 16.885 -0.579 1.155 1.00 0.00 C ATOM 709 CD2 LEU A 46 18.162 0.450 -0.738 1.00 0.00 C ATOM 0 H LEU A 46 18.743 0.733 3.957 1.00 0.00 H new ATOM 0 HA LEU A 46 19.097 -1.845 2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 46 19.108 1.029 1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 46 20.278 -0.021 0.943 1.00 0.00 H new ATOM 0 HG LEU A 46 18.514 -1.476 0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 46 16.136 -0.917 0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.946 -1.290 1.979 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.602 0.400 1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 46 17.392 0.096 -1.424 1.00 0.00 H new ATOM 0 HD22 LEU A 46 17.914 1.457 -0.404 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.125 0.464 -1.249 1.00 0.00 H new ATOM 721 N THR A 47 21.467 -2.057 3.275 1.00 0.00 N ATOM 722 CA THR A 47 22.852 -2.208 3.715 1.00 0.00 C ATOM 723 C THR A 47 23.700 -2.852 2.627 1.00 0.00 C ATOM 724 O THR A 47 23.182 -3.576 1.776 1.00 0.00 O ATOM 725 CB THR A 47 22.951 -3.075 4.984 1.00 0.00 C ATOM 726 OG1 THR A 47 21.858 -2.784 5.865 1.00 0.00 O ATOM 727 CG2 THR A 47 24.265 -2.824 5.708 1.00 0.00 C ATOM 0 H THR A 47 21.004 -2.931 3.027 1.00 0.00 H new ATOM 0 HA THR A 47 23.223 -1.206 3.933 1.00 0.00 H new ATOM 0 HB THR A 47 22.909 -4.122 4.684 1.00 0.00 H new ATOM 0 HG1 THR A 47 21.928 -3.341 6.668 1.00 0.00 H new ATOM 0 HG21 THR A 47 24.313 -3.447 6.601 1.00 0.00 H new ATOM 0 HG22 THR A 47 25.097 -3.071 5.048 1.00 0.00 H new ATOM 0 HG23 THR A 47 24.328 -1.774 5.994 1.00 0.00 H new ATOM 735 N CYS A 48 25.006 -2.591 2.653 1.00 0.00 N ATOM 736 CA CYS A 48 25.899 -3.174 1.663 1.00 0.00 C ATOM 737 C CYS A 48 26.426 -4.503 2.185 1.00 0.00 C ATOM 738 O CYS A 48 27.078 -4.564 3.227 1.00 0.00 O ATOM 739 CB CYS A 48 27.058 -2.228 1.344 1.00 0.00 C ATOM 740 SG CYS A 48 27.898 -2.585 -0.232 1.00 0.00 S ATOM 0 H CYS A 48 25.461 -1.989 3.339 1.00 0.00 H new ATOM 0 HA CYS A 48 25.344 -3.339 0.740 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.682 -1.205 1.319 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.788 -2.280 2.152 1.00 0.00 H new ATOM 745 N ASN A 49 26.127 -5.566 1.453 1.00 0.00 N ATOM 746 CA ASN A 49 26.608 -6.890 1.814 1.00 0.00 C ATOM 747 C ASN A 49 27.878 -7.205 1.026 1.00 0.00 C ATOM 748 O ASN A 49 28.314 -6.404 0.200 1.00 0.00 O ATOM 749 CB ASN A 49 25.535 -7.946 1.534 1.00 0.00 C ATOM 750 CG ASN A 49 25.403 -8.271 0.059 1.00 0.00 C ATOM 751 OD1 ASN A 49 25.766 -7.470 -0.801 1.00 0.00 O ATOM 752 ND2 ASN A 49 24.876 -9.452 -0.240 1.00 0.00 N ATOM 0 H ASN A 49 25.556 -5.537 0.609 1.00 0.00 H new ATOM 0 HA ASN A 49 26.833 -6.906 2.880 1.00 0.00 H new ATOM 0 HB2 ASN A 49 25.776 -8.857 2.082 1.00 0.00 H new ATOM 0 HB3 ASN A 49 24.576 -7.592 1.911 1.00 0.00 H new ATOM 0 HD21 ASN A 49 24.759 -9.726 -1.216 1.00 0.00 H new ATOM 0 HD22 ASN A 49 24.588 -10.086 0.506 1.00 0.00 H new ATOM 759 N SER A 50 28.471 -8.365 1.281 1.00 0.00 N ATOM 760 CA SER A 50 29.679 -8.770 0.567 1.00 0.00 C ATOM 761 C SER A 50 29.282 -9.444 -0.742 1.00 0.00 C ATOM 762 O SER A 50 29.618 -10.601 -1.000 1.00 0.00 O ATOM 763 CB SER A 50 30.517 -9.720 1.425 1.00 0.00 C ATOM 764 OG SER A 50 31.691 -10.125 0.742 1.00 0.00 O ATOM 0 H SER A 50 28.139 -9.039 1.971 1.00 0.00 H new ATOM 0 HA SER A 50 30.284 -7.889 0.353 1.00 0.00 H new ATOM 0 HB2 SER A 50 30.788 -9.228 2.359 1.00 0.00 H new ATOM 0 HB3 SER A 50 29.924 -10.597 1.687 1.00 0.00 H new ATOM 0 HG SER A 50 31.445 -10.562 -0.100 1.00 0.00 H new ATOM 770 N ASP A 51 28.558 -8.689 -1.560 1.00 0.00 N ATOM 771 CA ASP A 51 28.070 -9.151 -2.853 1.00 0.00 C ATOM 772 C ASP A 51 27.980 -7.986 -3.832 1.00 0.00 C ATOM 773 O ASP A 51 27.539 -8.146 -4.971 1.00 0.00 O ATOM 774 CB ASP A 51 26.682 -9.763 -2.689 1.00 0.00 C ATOM 775 CG ASP A 51 26.260 -10.574 -3.898 1.00 0.00 C ATOM 776 OD1 ASP A 51 25.695 -9.985 -4.842 1.00 0.00 O ATOM 777 OD2 ASP A 51 26.495 -11.802 -3.901 1.00 0.00 O ATOM 0 H ASP A 51 28.291 -7.729 -1.342 1.00 0.00 H new ATOM 0 HA ASP A 51 28.765 -9.897 -3.239 1.00 0.00 H new ATOM 0 HB2 ASP A 51 26.672 -10.401 -1.805 1.00 0.00 H new ATOM 0 HB3 ASP A 51 25.956 -8.969 -2.517 1.00 0.00 H new ATOM 782 N GLY A 52 28.408 -6.814 -3.376 1.00 0.00 N ATOM 783 CA GLY A 52 28.335 -5.629 -4.210 1.00 0.00 C ATOM 784 C GLY A 52 26.910 -5.316 -4.619 1.00 0.00 C ATOM 785 O GLY A 52 26.649 -4.590 -5.580 1.00 0.00 O ATOM 0 H GLY A 52 28.803 -6.664 -2.448 1.00 0.00 H new ATOM 0 HA2 GLY A 52 28.754 -4.779 -3.671 1.00 0.00 H new ATOM 0 HA3 GLY A 52 28.946 -5.774 -5.101 1.00 0.00 H new ATOM 789 N GLU A 53 25.998 -5.899 -3.852 1.00 0.00 N ATOM 790 CA GLU A 53 24.573 -5.688 -4.066 1.00 0.00 C ATOM 791 C GLU A 53 23.889 -5.265 -2.774 1.00 0.00 C ATOM 792 O GLU A 53 24.366 -5.560 -1.679 1.00 0.00 O ATOM 793 CB GLU A 53 23.916 -6.959 -4.605 1.00 0.00 C ATOM 794 CG GLU A 53 23.578 -7.976 -3.527 1.00 0.00 C ATOM 795 CD GLU A 53 23.003 -9.260 -4.094 1.00 0.00 C ATOM 796 OE1 GLU A 53 22.286 -9.190 -5.114 1.00 0.00 O ATOM 797 OE2 GLU A 53 23.273 -10.336 -3.519 1.00 0.00 O ATOM 0 H GLU A 53 26.220 -6.522 -3.076 1.00 0.00 H new ATOM 0 HA GLU A 53 24.460 -4.891 -4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 53 23.003 -6.689 -5.136 1.00 0.00 H new ATOM 0 HB3 GLU A 53 24.583 -7.422 -5.333 1.00 0.00 H new ATOM 0 HG2 GLU A 53 24.477 -8.206 -2.956 1.00 0.00 H new ATOM 0 HG3 GLU A 53 22.862 -7.538 -2.832 1.00 0.00 H new ATOM 804 N TRP A 54 22.771 -4.566 -2.908 1.00 0.00 N ATOM 805 CA TRP A 54 22.015 -4.120 -1.760 1.00 0.00 C ATOM 806 C TRP A 54 21.049 -5.209 -1.336 1.00 0.00 C ATOM 807 O TRP A 54 20.064 -5.502 -2.013 1.00 0.00 O ATOM 808 CB TRP A 54 21.289 -2.828 -2.107 1.00 0.00 C ATOM 809 CG TRP A 54 22.236 -1.712 -2.418 1.00 0.00 C ATOM 810 CD1 TRP A 54 22.656 -1.304 -3.649 1.00 0.00 C ATOM 811 CD2 TRP A 54 22.902 -0.879 -1.470 1.00 0.00 C ATOM 812 NE1 TRP A 54 23.535 -0.254 -3.523 1.00 0.00 N ATOM 813 CE2 TRP A 54 23.702 0.025 -2.192 1.00 0.00 C ATOM 814 CE3 TRP A 54 22.891 -0.809 -0.079 1.00 0.00 C ATOM 815 CZ2 TRP A 54 24.487 0.989 -1.564 1.00 0.00 C ATOM 816 CZ3 TRP A 54 23.668 0.145 0.545 1.00 0.00 C ATOM 817 CH2 TRP A 54 24.457 1.034 -0.196 1.00 0.00 C ATOM 0 H TRP A 54 22.371 -4.298 -3.807 1.00 0.00 H new ATOM 0 HA TRP A 54 22.682 -3.919 -0.922 1.00 0.00 H new ATOM 0 HB2 TRP A 54 20.638 -2.999 -2.964 1.00 0.00 H new ATOM 0 HB3 TRP A 54 20.650 -2.538 -1.273 1.00 0.00 H new ATOM 0 HD1 TRP A 54 22.344 -1.741 -4.586 1.00 0.00 H new ATOM 0 HE1 TRP A 54 23.988 0.237 -4.294 1.00 0.00 H new ATOM 0 HE3 TRP A 54 22.285 -1.489 0.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 25.096 1.675 -2.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 23.668 0.207 1.623 1.00 0.00 H new ATOM 0 HH2 TRP A 54 25.054 1.770 0.322 1.00 0.00 H new ATOM 828 N VAL A 55 21.364 -5.802 -0.195 1.00 0.00 N ATOM 829 CA VAL A 55 20.597 -6.902 0.354 1.00 0.00 C ATOM 830 C VAL A 55 19.619 -6.393 1.400 1.00 0.00 C ATOM 831 O VAL A 55 19.923 -5.437 2.114 1.00 0.00 O ATOM 832 CB VAL A 55 21.546 -7.942 0.983 1.00 0.00 C ATOM 833 CG1 VAL A 55 20.886 -8.675 2.134 1.00 0.00 C ATOM 834 CG2 VAL A 55 22.024 -8.923 -0.070 1.00 0.00 C ATOM 0 H VAL A 55 22.164 -5.530 0.377 1.00 0.00 H new ATOM 0 HA VAL A 55 20.034 -7.373 -0.452 1.00 0.00 H new ATOM 0 HB VAL A 55 22.407 -7.408 1.385 1.00 0.00 H new ATOM 0 HG11 VAL A 55 21.585 -9.400 2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.600 -7.959 2.905 1.00 0.00 H new ATOM 0 HG13 VAL A 55 19.998 -9.194 1.773 1.00 0.00 H new ATOM 0 HG21 VAL A 55 22.693 -9.651 0.388 1.00 0.00 H new ATOM 0 HG22 VAL A 55 21.167 -9.439 -0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 55 22.556 -8.384 -0.854 1.00 0.00 H new ATOM 844 N TYR A 56 18.459 -7.045 1.505 1.00 0.00 N ATOM 845 CA TYR A 56 17.466 -6.657 2.508 1.00 0.00 C ATOM 846 C TYR A 56 16.120 -7.341 2.283 1.00 0.00 C ATOM 847 O TYR A 56 15.910 -7.988 1.256 1.00 0.00 O ATOM 848 CB TYR A 56 17.264 -5.137 2.519 1.00 0.00 C ATOM 849 CG TYR A 56 16.884 -4.571 1.166 1.00 0.00 C ATOM 850 CD1 TYR A 56 15.568 -4.601 0.722 1.00 0.00 C ATOM 851 CD2 TYR A 56 17.844 -4.011 0.331 1.00 0.00 C ATOM 852 CE1 TYR A 56 15.219 -4.090 -0.512 1.00 0.00 C ATOM 853 CE2 TYR A 56 17.501 -3.496 -0.905 1.00 0.00 C ATOM 854 CZ TYR A 56 16.189 -3.539 -1.322 1.00 0.00 C ATOM 855 OH TYR A 56 15.846 -3.027 -2.553 1.00 0.00 O ATOM 0 H TYR A 56 18.187 -7.833 0.917 1.00 0.00 H new ATOM 0 HA TYR A 56 17.857 -6.982 3.472 1.00 0.00 H new ATOM 0 HB2 TYR A 56 16.487 -4.886 3.241 1.00 0.00 H new ATOM 0 HB3 TYR A 56 18.182 -4.658 2.860 1.00 0.00 H new ATOM 0 HD1 TYR A 56 14.805 -5.032 1.353 1.00 0.00 H new ATOM 0 HD2 TYR A 56 18.874 -3.978 0.653 1.00 0.00 H new ATOM 0 HE1 TYR A 56 14.191 -4.122 -0.841 1.00 0.00 H new ATOM 0 HE2 TYR A 56 18.258 -3.062 -1.541 1.00 0.00 H new ATOM 0 HH TYR A 56 16.647 -2.676 -2.996 1.00 0.00 H new ATOM 865 N ASN A 57 15.214 -7.197 3.242 1.00 0.00 N ATOM 866 CA ASN A 57 13.893 -7.806 3.130 1.00 0.00 C ATOM 867 C ASN A 57 12.896 -6.825 2.524 1.00 0.00 C ATOM 868 O ASN A 57 13.185 -5.636 2.389 1.00 0.00 O ATOM 869 CB ASN A 57 13.401 -8.273 4.502 1.00 0.00 C ATOM 870 CG ASN A 57 14.175 -9.466 5.031 1.00 0.00 C ATOM 871 OD1 ASN A 57 15.454 -9.550 4.685 1.00 0.00 O flip ATOM 872 ND2 ASN A 57 13.629 -10.304 5.749 1.00 0.00 N flip ATOM 0 H ASN A 57 15.367 -6.668 4.101 1.00 0.00 H new ATOM 0 HA ASN A 57 13.973 -8.671 2.471 1.00 0.00 H new ATOM 0 HB2 ASN A 57 13.483 -7.450 5.211 1.00 0.00 H new ATOM 0 HB3 ASN A 57 12.344 -8.532 4.435 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.644 -10.203 5.992 1.00 0.00 H new ATOM 0 HD22 ASN A 57 14.162 -11.099 6.101 1.00 0.00 H new ATOM 879 N THR A 58 11.720 -7.327 2.164 1.00 0.00 N ATOM 880 CA THR A 58 10.680 -6.491 1.582 1.00 0.00 C ATOM 881 C THR A 58 9.829 -5.897 2.690 1.00 0.00 C ATOM 882 O THR A 58 9.373 -6.616 3.578 1.00 0.00 O ATOM 883 CB THR A 58 9.784 -7.293 0.617 1.00 0.00 C ATOM 884 OG1 THR A 58 10.598 -8.078 -0.263 1.00 0.00 O ATOM 885 CG2 THR A 58 8.903 -6.364 -0.202 1.00 0.00 C ATOM 0 H THR A 58 11.464 -8.309 2.266 1.00 0.00 H new ATOM 0 HA THR A 58 11.163 -5.697 1.013 1.00 0.00 H new ATOM 0 HB THR A 58 9.145 -7.948 1.209 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.024 -8.587 -0.873 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.280 -6.953 -0.875 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.267 -5.783 0.466 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.529 -5.689 -0.785 1.00 0.00 H new ATOM 893 N PHE A 59 9.615 -4.588 2.644 1.00 0.00 N ATOM 894 CA PHE A 59 8.839 -3.924 3.681 1.00 0.00 C ATOM 895 C PHE A 59 7.599 -3.224 3.132 1.00 0.00 C ATOM 896 O PHE A 59 6.686 -2.893 3.888 1.00 0.00 O ATOM 897 CB PHE A 59 9.719 -2.920 4.426 1.00 0.00 C ATOM 898 CG PHE A 59 10.697 -2.194 3.545 1.00 0.00 C ATOM 899 CD1 PHE A 59 11.942 -2.742 3.276 1.00 0.00 C ATOM 900 CD2 PHE A 59 10.376 -0.966 2.991 1.00 0.00 C ATOM 901 CE1 PHE A 59 12.846 -2.079 2.469 1.00 0.00 C ATOM 902 CE2 PHE A 59 11.278 -0.298 2.183 1.00 0.00 C ATOM 903 CZ PHE A 59 12.514 -0.856 1.922 1.00 0.00 C ATOM 0 H PHE A 59 9.963 -3.972 1.909 1.00 0.00 H new ATOM 0 HA PHE A 59 8.492 -4.697 4.367 1.00 0.00 H new ATOM 0 HB2 PHE A 59 9.080 -2.189 4.921 1.00 0.00 H new ATOM 0 HB3 PHE A 59 10.269 -3.444 5.208 1.00 0.00 H new ATOM 0 HD1 PHE A 59 12.208 -3.698 3.702 1.00 0.00 H new ATOM 0 HD2 PHE A 59 9.411 -0.525 3.192 1.00 0.00 H new ATOM 0 HE1 PHE A 59 13.812 -2.517 2.266 1.00 0.00 H new ATOM 0 HE2 PHE A 59 11.016 0.659 1.757 1.00 0.00 H new ATOM 0 HZ PHE A 59 13.220 -0.336 1.291 1.00 0.00 H new ATOM 913 N CYS A 60 7.557 -2.994 1.827 1.00 0.00 N ATOM 914 CA CYS A 60 6.412 -2.321 1.221 1.00 0.00 C ATOM 915 C CYS A 60 6.206 -2.779 -0.223 1.00 0.00 C ATOM 916 O CYS A 60 7.161 -3.158 -0.900 1.00 0.00 O ATOM 917 CB CYS A 60 6.610 -0.804 1.288 1.00 0.00 C ATOM 918 SG CYS A 60 7.009 -0.183 2.955 1.00 0.00 S ATOM 0 H CYS A 60 8.293 -3.259 1.172 1.00 0.00 H new ATOM 0 HA CYS A 60 5.515 -2.586 1.780 1.00 0.00 H new ATOM 0 HB2 CYS A 60 7.411 -0.522 0.605 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.703 -0.313 0.936 1.00 0.00 H new ATOM 923 N ILE A 61 4.953 -2.759 -0.690 1.00 0.00 N ATOM 924 CA ILE A 61 4.647 -3.182 -2.057 1.00 0.00 C ATOM 925 C ILE A 61 3.592 -2.302 -2.716 1.00 0.00 C ATOM 926 O ILE A 61 3.742 -1.910 -3.873 1.00 0.00 O ATOM 927 CB ILE A 61 4.170 -4.648 -2.115 1.00 0.00 C ATOM 928 CG1 ILE A 61 2.829 -4.816 -1.393 1.00 0.00 C ATOM 929 CG2 ILE A 61 5.214 -5.561 -1.503 1.00 0.00 C ATOM 930 CD1 ILE A 61 2.258 -6.214 -1.502 1.00 0.00 C ATOM 0 H ILE A 61 4.144 -2.458 -0.147 1.00 0.00 H new ATOM 0 HA ILE A 61 5.584 -3.083 -2.606 1.00 0.00 H new ATOM 0 HB ILE A 61 4.029 -4.921 -3.161 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.958 -4.565 -0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.112 -4.106 -1.804 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.867 -6.593 -1.549 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.149 -5.467 -2.056 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.378 -5.280 -0.463 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.309 -6.262 -0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.097 -6.461 -2.552 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.956 -6.927 -1.064 1.00 0.00 H new ATOM 942 N TYR A 62 2.527 -2.005 -1.980 1.00 0.00 N ATOM 943 CA TYR A 62 1.439 -1.179 -2.513 1.00 0.00 C ATOM 944 C TYR A 62 0.658 -1.927 -3.588 1.00 0.00 C ATOM 945 O TYR A 62 1.194 -2.326 -4.622 1.00 0.00 O ATOM 946 CB TYR A 62 1.975 0.142 -3.070 1.00 0.00 C ATOM 947 CG TYR A 62 1.242 1.350 -2.537 1.00 0.00 C ATOM 948 CD1 TYR A 62 -0.143 1.440 -2.612 1.00 0.00 C ATOM 949 CD2 TYR A 62 1.936 2.394 -1.944 1.00 0.00 C ATOM 950 CE1 TYR A 62 -0.813 2.540 -2.112 1.00 0.00 C ATOM 951 CE2 TYR A 62 1.276 3.493 -1.441 1.00 0.00 C ATOM 952 CZ TYR A 62 -0.096 3.562 -1.525 1.00 0.00 C ATOM 953 OH TYR A 62 -0.749 4.659 -1.020 1.00 0.00 O ATOM 0 H TYR A 62 2.390 -2.319 -1.019 1.00 0.00 H new ATOM 0 HA TYR A 62 0.761 -0.956 -1.689 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.034 0.230 -2.826 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.899 0.129 -4.157 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.704 0.638 -3.068 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.013 2.344 -1.875 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.889 2.599 -2.180 1.00 0.00 H new ATOM 0 HE2 TYR A 62 1.833 4.297 -0.983 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.120 5.205 -0.504 1.00 0.00 H new ATOM 963 N LYS A 63 -0.631 -2.099 -3.303 1.00 0.00 N ATOM 964 CA LYS A 63 -1.561 -2.797 -4.185 1.00 0.00 C ATOM 965 C LYS A 63 -2.987 -2.516 -3.725 1.00 0.00 C ATOM 966 O LYS A 63 -3.400 -2.971 -2.658 1.00 0.00 O ATOM 967 CB LYS A 63 -1.289 -4.305 -4.193 1.00 0.00 C ATOM 968 CG LYS A 63 -0.836 -4.862 -2.853 1.00 0.00 C ATOM 969 CD LYS A 63 -1.728 -6.001 -2.387 1.00 0.00 C ATOM 970 CE LYS A 63 -0.977 -6.946 -1.475 1.00 0.00 C ATOM 971 NZ LYS A 63 -1.852 -8.017 -0.929 1.00 0.00 N ATOM 0 H LYS A 63 -1.062 -1.754 -2.445 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.425 -2.433 -5.204 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.196 -4.825 -4.503 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.526 -4.522 -4.941 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.192 -5.215 -2.934 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.842 -4.067 -2.108 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.594 -5.597 -1.863 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.105 -6.548 -3.251 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.152 -7.399 -2.025 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.540 -6.382 -0.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.279 -8.857 -0.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.313 -7.679 -0.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.577 -8.265 -1.632 1.00 0.00 H new ATOM 985 N ARG A 64 -3.745 -1.773 -4.528 1.00 0.00 N ATOM 986 CA ARG A 64 -5.112 -1.409 -4.171 1.00 0.00 C ATOM 987 C ARG A 64 -6.118 -2.411 -4.723 1.00 0.00 C ATOM 988 O ARG A 64 -5.742 -3.398 -5.352 1.00 0.00 O ATOM 989 CB ARG A 64 -5.443 -0.002 -4.682 1.00 0.00 C ATOM 990 CG ARG A 64 -4.842 0.324 -6.040 1.00 0.00 C ATOM 991 CD ARG A 64 -3.437 0.887 -5.906 1.00 0.00 C ATOM 992 NE ARG A 64 -3.419 2.147 -5.167 1.00 0.00 N ATOM 993 CZ ARG A 64 -2.347 2.927 -5.064 1.00 0.00 C ATOM 994 NH1 ARG A 64 -1.212 2.586 -5.660 1.00 0.00 N ATOM 995 NH2 ARG A 64 -2.411 4.053 -4.366 1.00 0.00 N ATOM 0 H ARG A 64 -3.435 -1.412 -5.430 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.182 -1.421 -3.083 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.526 0.106 -4.741 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.089 0.729 -3.955 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.817 -0.576 -6.654 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.476 1.045 -6.556 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.802 0.160 -5.399 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.013 1.043 -6.898 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.277 2.445 -4.704 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.159 1.722 -6.200 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.392 3.187 -5.578 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.282 4.320 -3.908 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.589 4.651 -4.287 1.00 0.00 H new ATOM 1009 N CYS A 65 -7.403 -2.143 -4.495 1.00 0.00 N ATOM 1010 CA CYS A 65 -8.466 -3.021 -4.960 1.00 0.00 C ATOM 1011 C CYS A 65 -9.248 -2.334 -6.065 1.00 0.00 C ATOM 1012 O CYS A 65 -8.955 -1.193 -6.420 1.00 0.00 O ATOM 1013 CB CYS A 65 -9.415 -3.375 -3.812 1.00 0.00 C ATOM 1014 SG CYS A 65 -8.596 -3.644 -2.208 1.00 0.00 S ATOM 0 H CYS A 65 -7.730 -1.320 -3.989 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.016 -3.938 -5.340 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -10.146 -2.574 -3.702 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -9.967 -4.276 -4.079 1.00 0.00 H new ATOM 1019 N ARG A 66 -10.243 -3.020 -6.609 1.00 0.00 N ATOM 1020 CA ARG A 66 -11.049 -2.429 -7.659 1.00 0.00 C ATOM 1021 C ARG A 66 -12.216 -1.671 -7.042 1.00 0.00 C ATOM 1022 O ARG A 66 -12.834 -2.130 -6.085 1.00 0.00 O ATOM 1023 CB ARG A 66 -11.543 -3.497 -8.637 1.00 0.00 C ATOM 1024 CG ARG A 66 -12.320 -2.939 -9.815 1.00 0.00 C ATOM 1025 CD ARG A 66 -11.429 -2.096 -10.709 1.00 0.00 C ATOM 1026 NE ARG A 66 -10.321 -2.866 -11.266 1.00 0.00 N ATOM 1027 CZ ARG A 66 -9.445 -2.373 -12.136 1.00 0.00 C ATOM 1028 NH1 ARG A 66 -9.561 -1.123 -12.562 1.00 0.00 N ATOM 1029 NH2 ARG A 66 -8.454 -3.131 -12.584 1.00 0.00 N ATOM 0 H ARG A 66 -10.506 -3.969 -6.345 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.434 -1.729 -8.224 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.686 -4.057 -9.012 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.175 -4.204 -8.099 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.749 -3.758 -10.392 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.152 -2.335 -9.452 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -12.023 -1.678 -11.521 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -11.034 -1.256 -10.138 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.213 -3.836 -10.971 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.324 -0.537 -12.222 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.888 -0.747 -13.230 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.363 -4.094 -12.261 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.783 -2.751 -13.252 1.00 0.00 H new ATOM 1043 N HIS A 67 -12.514 -0.518 -7.611 1.00 0.00 N ATOM 1044 CA HIS A 67 -13.602 0.309 -7.123 1.00 0.00 C ATOM 1045 C HIS A 67 -14.929 -0.451 -7.189 1.00 0.00 C ATOM 1046 O HIS A 67 -15.280 -1.006 -8.231 1.00 0.00 O ATOM 1047 CB HIS A 67 -13.682 1.588 -7.952 1.00 0.00 C ATOM 1048 CG HIS A 67 -12.442 2.424 -7.885 1.00 0.00 C ATOM 1049 ND1 HIS A 67 -11.702 2.768 -8.997 1.00 0.00 N ATOM 1050 CD2 HIS A 67 -11.811 2.988 -6.828 1.00 0.00 C ATOM 1051 CE1 HIS A 67 -10.670 3.506 -8.627 1.00 0.00 C ATOM 1052 NE2 HIS A 67 -10.715 3.654 -7.317 1.00 0.00 N ATOM 0 H HIS A 67 -12.017 -0.132 -8.414 1.00 0.00 H new ATOM 0 HA HIS A 67 -13.411 0.567 -6.081 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -13.877 1.326 -8.992 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -14.529 2.181 -7.608 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -12.114 2.925 -5.793 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.919 3.917 -9.285 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -10.043 4.179 -6.757 1.00 0.00 H new ATOM 1061 N PRO A 68 -15.685 -0.485 -6.074 1.00 0.00 N ATOM 1062 CA PRO A 68 -16.978 -1.182 -6.015 1.00 0.00 C ATOM 1063 C PRO A 68 -17.981 -0.606 -7.007 1.00 0.00 C ATOM 1064 O PRO A 68 -18.918 -1.293 -7.417 1.00 0.00 O ATOM 1065 CB PRO A 68 -17.441 -0.977 -4.570 1.00 0.00 C ATOM 1066 CG PRO A 68 -16.685 0.217 -4.096 1.00 0.00 C ATOM 1067 CD PRO A 68 -15.356 0.163 -4.794 1.00 0.00 C ATOM 0 HA PRO A 68 -16.891 -2.235 -6.285 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -18.517 -0.810 -4.519 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -17.224 -1.852 -3.957 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -17.216 1.138 -4.337 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -16.559 0.196 -3.013 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.936 1.158 -4.941 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.624 -0.412 -4.226 1.00 0.00 H new ATOM 1075 N GLY A 69 -17.788 0.647 -7.397 1.00 0.00 N ATOM 1076 CA GLY A 69 -18.697 1.268 -8.341 1.00 0.00 C ATOM 1077 C GLY A 69 -19.665 2.243 -7.692 1.00 0.00 C ATOM 1078 O GLY A 69 -19.516 2.627 -6.533 1.00 0.00 O ATOM 0 H GLY A 69 -17.023 1.242 -7.079 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -18.118 1.793 -9.100 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -19.264 0.491 -8.853 1.00 0.00 H new ATOM 1082 N GLU A 70 -20.663 2.628 -8.483 1.00 0.00 N ATOM 1083 CA GLU A 70 -21.674 3.574 -8.030 1.00 0.00 C ATOM 1084 C GLU A 70 -22.749 2.878 -7.192 1.00 0.00 C ATOM 1085 O GLU A 70 -23.214 1.790 -7.531 1.00 0.00 O ATOM 1086 CB GLU A 70 -22.308 4.301 -9.219 1.00 0.00 C ATOM 1087 CG GLU A 70 -23.302 5.378 -8.816 1.00 0.00 C ATOM 1088 CD GLU A 70 -22.668 6.470 -7.976 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -22.049 7.384 -8.560 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -22.791 6.412 -6.734 1.00 0.00 O ATOM 0 H GLU A 70 -20.792 2.299 -9.440 1.00 0.00 H new ATOM 0 HA GLU A 70 -21.179 4.311 -7.398 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -21.519 4.753 -9.820 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -22.813 3.572 -9.853 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -23.737 5.820 -9.712 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -24.119 4.922 -8.257 1.00 0.00 H new ATOM 1097 N LEU A 71 -23.134 3.528 -6.093 1.00 0.00 N ATOM 1098 CA LEU A 71 -24.176 3.011 -5.206 1.00 0.00 C ATOM 1099 C LEU A 71 -25.513 3.645 -5.578 1.00 0.00 C ATOM 1100 O LEU A 71 -25.777 4.791 -5.214 1.00 0.00 O ATOM 1101 CB LEU A 71 -23.841 3.332 -3.742 1.00 0.00 C ATOM 1102 CG LEU A 71 -24.312 2.305 -2.699 1.00 0.00 C ATOM 1103 CD1 LEU A 71 -23.997 2.797 -1.296 1.00 0.00 C ATOM 1104 CD2 LEU A 71 -25.801 2.018 -2.835 1.00 0.00 C ATOM 0 H LEU A 71 -22.737 4.419 -5.795 1.00 0.00 H new ATOM 0 HA LEU A 71 -24.236 1.929 -5.320 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -22.760 3.440 -3.653 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -24.279 4.299 -3.494 1.00 0.00 H new ATOM 0 HG LEU A 71 -23.774 1.374 -2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -24.336 2.060 -0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -22.921 2.940 -1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -24.508 3.744 -1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -26.101 1.288 -2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -26.364 2.940 -2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -26.006 1.620 -3.829 1.00 0.00 H new ATOM 1116 N ARG A 72 -26.357 2.915 -6.305 1.00 0.00 N ATOM 1117 CA ARG A 72 -27.668 3.447 -6.676 1.00 0.00 C ATOM 1118 C ARG A 72 -28.505 3.646 -5.418 1.00 0.00 C ATOM 1119 O ARG A 72 -28.720 2.720 -4.637 1.00 0.00 O ATOM 1120 CB ARG A 72 -28.381 2.542 -7.683 1.00 0.00 C ATOM 1121 CG ARG A 72 -29.755 3.046 -8.093 1.00 0.00 C ATOM 1122 CD ARG A 72 -30.343 2.206 -9.215 1.00 0.00 C ATOM 1123 NE ARG A 72 -30.479 0.803 -8.835 1.00 0.00 N ATOM 1124 CZ ARG A 72 -30.964 -0.137 -9.641 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -31.359 0.177 -10.868 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -31.053 -1.392 -9.221 1.00 0.00 N ATOM 0 H ARG A 72 -26.163 1.972 -6.643 1.00 0.00 H new ATOM 0 HA ARG A 72 -27.529 4.410 -7.168 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -27.760 2.444 -8.573 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -28.483 1.545 -7.254 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -30.423 3.025 -7.232 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -29.682 4.085 -8.414 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -31.320 2.603 -9.491 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -29.707 2.283 -10.097 1.00 0.00 H new ATOM 0 HE ARG A 72 -30.185 0.528 -7.898 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -31.291 1.141 -11.195 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -31.731 -0.545 -11.485 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -30.749 -1.637 -8.279 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -31.425 -2.112 -9.840 1.00 0.00 H new ATOM 1140 N ASN A 73 -28.968 4.887 -5.248 1.00 0.00 N ATOM 1141 CA ASN A 73 -29.723 5.274 -4.069 1.00 0.00 C ATOM 1142 C ASN A 73 -28.813 5.073 -2.876 1.00 0.00 C ATOM 1143 O ASN A 73 -29.245 4.601 -1.830 1.00 0.00 O ATOM 1144 CB ASN A 73 -31.006 4.451 -3.922 1.00 0.00 C ATOM 1145 CG ASN A 73 -31.869 4.490 -5.168 1.00 0.00 C ATOM 1146 OD1 ASN A 73 -31.817 5.444 -5.945 1.00 0.00 O ATOM 1147 ND2 ASN A 73 -32.675 3.452 -5.361 1.00 0.00 N ATOM 0 H ASN A 73 -28.828 5.641 -5.921 1.00 0.00 H new ATOM 0 HA ASN A 73 -30.037 6.315 -4.149 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -30.746 3.417 -3.697 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -31.580 4.827 -3.075 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -33.283 3.424 -6.179 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -32.685 2.683 -4.691 1.00 0.00 H new ATOM 1154 N GLY A 74 -27.558 5.477 -3.024 1.00 0.00 N ATOM 1155 CA GLY A 74 -26.613 5.300 -1.949 1.00 0.00 C ATOM 1156 C GLY A 74 -25.299 6.006 -2.204 1.00 0.00 C ATOM 1157 O GLY A 74 -25.116 6.635 -3.247 1.00 0.00 O ATOM 0 H GLY A 74 -27.184 5.920 -3.863 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -27.048 5.675 -1.023 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -26.427 4.236 -1.806 1.00 0.00 H new ATOM 1161 N GLN A 75 -24.381 5.896 -1.251 1.00 0.00 N ATOM 1162 CA GLN A 75 -23.081 6.534 -1.373 1.00 0.00 C ATOM 1163 C GLN A 75 -21.962 5.592 -0.945 1.00 0.00 C ATOM 1164 O GLN A 75 -22.056 4.919 0.077 1.00 0.00 O ATOM 1165 CB GLN A 75 -23.036 7.811 -0.532 1.00 0.00 C ATOM 1166 CG GLN A 75 -24.107 8.822 -0.909 1.00 0.00 C ATOM 1167 CD GLN A 75 -24.083 10.055 -0.028 1.00 0.00 C ATOM 1168 OE1 GLN A 75 -23.699 9.992 1.140 1.00 0.00 O ATOM 1169 NE2 GLN A 75 -24.497 11.187 -0.585 1.00 0.00 N ATOM 0 H GLN A 75 -24.515 5.371 -0.387 1.00 0.00 H new ATOM 0 HA GLN A 75 -22.931 6.789 -2.422 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -23.149 7.548 0.520 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -22.055 8.274 -0.641 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -23.970 9.120 -1.948 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -25.087 8.350 -0.840 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -24.807 11.194 -1.557 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -24.505 12.050 -0.041 1.00 0.00 H new ATOM 1178 N VAL A 76 -20.909 5.558 -1.745 1.00 0.00 N ATOM 1179 CA VAL A 76 -19.766 4.710 -1.444 1.00 0.00 C ATOM 1180 C VAL A 76 -18.601 5.572 -0.958 1.00 0.00 C ATOM 1181 O VAL A 76 -17.986 6.298 -1.740 1.00 0.00 O ATOM 1182 CB VAL A 76 -19.360 3.847 -2.656 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -19.874 4.458 -3.940 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -17.856 3.624 -2.708 1.00 0.00 C ATOM 0 H VAL A 76 -20.821 6.104 -2.602 1.00 0.00 H new ATOM 0 HA VAL A 76 -20.048 4.019 -0.650 1.00 0.00 H new ATOM 0 HB VAL A 76 -19.822 2.867 -2.539 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -19.577 3.835 -4.784 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -20.961 4.524 -3.902 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -19.454 5.457 -4.061 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -17.609 3.012 -3.575 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -17.348 4.585 -2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -17.532 3.115 -1.800 1.00 0.00 H new ATOM 1194 N GLU A 77 -18.315 5.504 0.336 1.00 0.00 N ATOM 1195 CA GLU A 77 -17.236 6.293 0.923 1.00 0.00 C ATOM 1196 C GLU A 77 -15.870 5.878 0.380 1.00 0.00 C ATOM 1197 O GLU A 77 -15.258 4.932 0.870 1.00 0.00 O ATOM 1198 CB GLU A 77 -17.258 6.167 2.449 1.00 0.00 C ATOM 1199 CG GLU A 77 -16.036 6.766 3.133 1.00 0.00 C ATOM 1200 CD GLU A 77 -16.205 6.872 4.637 1.00 0.00 C ATOM 1201 OE1 GLU A 77 -16.765 7.888 5.100 1.00 0.00 O ATOM 1202 OE2 GLU A 77 -15.777 5.941 5.349 1.00 0.00 O ATOM 0 H GLU A 77 -18.814 4.912 1.000 1.00 0.00 H new ATOM 0 HA GLU A 77 -17.400 7.334 0.645 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -18.153 6.657 2.832 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -17.332 5.113 2.716 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.163 6.153 2.911 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.843 7.757 2.722 1.00 0.00 H new ATOM 1209 N ILE A 78 -15.402 6.596 -0.637 1.00 0.00 N ATOM 1210 CA ILE A 78 -14.100 6.324 -1.237 1.00 0.00 C ATOM 1211 C ILE A 78 -13.152 7.486 -0.980 1.00 0.00 C ATOM 1212 O ILE A 78 -13.500 8.645 -1.209 1.00 0.00 O ATOM 1213 CB ILE A 78 -14.207 6.075 -2.756 1.00 0.00 C ATOM 1214 CG1 ILE A 78 -14.820 4.701 -3.023 1.00 0.00 C ATOM 1215 CG2 ILE A 78 -12.841 6.192 -3.423 1.00 0.00 C ATOM 1216 CD1 ILE A 78 -13.960 3.543 -2.568 1.00 0.00 C ATOM 0 H ILE A 78 -15.907 7.373 -1.064 1.00 0.00 H new ATOM 0 HA ILE A 78 -13.711 5.418 -0.772 1.00 0.00 H new ATOM 0 HB ILE A 78 -14.857 6.837 -3.185 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -15.786 4.642 -2.521 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -15.010 4.601 -4.092 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -12.942 6.012 -4.493 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.441 7.192 -3.259 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -12.162 5.455 -2.994 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -14.465 2.604 -2.793 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -13.003 3.574 -3.089 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -13.791 3.615 -1.494 1.00 0.00 H new ATOM 1228 N LYS A 79 -11.953 7.173 -0.506 1.00 0.00 N ATOM 1229 CA LYS A 79 -10.970 8.202 -0.208 1.00 0.00 C ATOM 1230 C LYS A 79 -9.558 7.642 -0.192 1.00 0.00 C ATOM 1231 O LYS A 79 -8.646 8.214 -0.789 1.00 0.00 O ATOM 1232 CB LYS A 79 -11.279 8.859 1.144 1.00 0.00 C ATOM 1233 CG LYS A 79 -11.251 7.904 2.337 1.00 0.00 C ATOM 1234 CD LYS A 79 -12.302 6.818 2.235 1.00 0.00 C ATOM 1235 CE LYS A 79 -12.334 5.981 3.497 1.00 0.00 C ATOM 1236 NZ LYS A 79 -12.965 6.707 4.634 1.00 0.00 N ATOM 0 H LYS A 79 -11.640 6.220 -0.321 1.00 0.00 H new ATOM 0 HA LYS A 79 -11.030 8.949 -0.999 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.558 9.658 1.318 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -12.263 9.324 1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.265 7.445 2.408 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.406 8.470 3.255 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.281 7.267 2.066 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.091 6.181 1.376 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.883 5.059 3.306 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.318 5.696 3.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.249 6.900 5.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.364 7.605 4.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.724 6.123 5.040 1.00 0.00 H new ATOM 1250 N THR A 80 -9.380 6.522 0.492 1.00 0.00 N ATOM 1251 CA THR A 80 -8.072 5.899 0.606 1.00 0.00 C ATOM 1252 C THR A 80 -7.653 5.183 -0.670 1.00 0.00 C ATOM 1253 O THR A 80 -6.668 4.442 -0.672 1.00 0.00 O ATOM 1254 CB THR A 80 -8.048 4.906 1.777 1.00 0.00 C ATOM 1255 OG1 THR A 80 -8.908 3.793 1.499 1.00 0.00 O ATOM 1256 CG2 THR A 80 -8.496 5.593 3.058 1.00 0.00 C ATOM 0 H THR A 80 -10.127 6.026 0.977 1.00 0.00 H new ATOM 0 HA THR A 80 -7.360 6.704 0.786 1.00 0.00 H new ATOM 0 HB THR A 80 -7.028 4.545 1.905 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.884 3.165 2.251 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.475 4.878 3.881 1.00 0.00 H new ATOM 0 HG22 THR A 80 -7.824 6.422 3.280 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.510 5.971 2.932 1.00 0.00 H new ATOM 1264 N ASP A 81 -8.397 5.396 -1.755 1.00 0.00 N ATOM 1265 CA ASP A 81 -8.062 4.767 -3.031 1.00 0.00 C ATOM 1266 C ASP A 81 -8.066 3.246 -2.925 1.00 0.00 C ATOM 1267 O ASP A 81 -7.661 2.548 -3.855 1.00 0.00 O ATOM 1268 CB ASP A 81 -6.676 5.220 -3.468 1.00 0.00 C ATOM 1269 CG ASP A 81 -6.622 6.694 -3.813 1.00 0.00 C ATOM 1270 OD1 ASP A 81 -6.897 7.040 -4.982 1.00 0.00 O ATOM 1271 OD2 ASP A 81 -6.304 7.503 -2.917 1.00 0.00 O ATOM 0 H ASP A 81 -9.225 5.991 -1.777 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.816 5.066 -3.759 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.962 5.012 -2.671 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.365 4.637 -4.335 1.00 0.00 H new ATOM 1276 N LEU A 82 -8.519 2.748 -1.782 1.00 0.00 N ATOM 1277 CA LEU A 82 -8.577 1.313 -1.525 1.00 0.00 C ATOM 1278 C LEU A 82 -7.162 0.752 -1.446 1.00 0.00 C ATOM 1279 O LEU A 82 -6.827 -0.198 -2.150 1.00 0.00 O ATOM 1280 CB LEU A 82 -9.345 0.590 -2.639 1.00 0.00 C ATOM 1281 CG LEU A 82 -10.831 0.935 -2.784 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -11.526 0.927 -1.434 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -11.006 2.279 -3.473 1.00 0.00 C ATOM 0 H LEU A 82 -8.855 3.323 -1.010 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.096 1.153 -0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.852 0.804 -3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.259 -0.483 -2.470 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.296 0.170 -3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.579 1.175 -1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.439 -0.063 -0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.059 1.663 -0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -12.068 2.505 -3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.520 3.056 -2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.555 2.241 -4.465 1.00 0.00 H new ATOM 1295 N SER A 83 -6.338 1.322 -0.572 1.00 0.00 N ATOM 1296 CA SER A 83 -4.955 0.881 -0.429 1.00 0.00 C ATOM 1297 C SER A 83 -4.829 -0.336 0.492 1.00 0.00 C ATOM 1298 O SER A 83 -3.782 -0.542 1.105 1.00 0.00 O ATOM 1299 CB SER A 83 -4.092 2.027 0.103 1.00 0.00 C ATOM 1300 OG SER A 83 -4.541 2.458 1.375 1.00 0.00 O ATOM 0 H SER A 83 -6.603 2.088 0.046 1.00 0.00 H new ATOM 0 HA SER A 83 -4.605 0.583 -1.417 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.054 1.702 0.172 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.119 2.862 -0.597 1.00 0.00 H new ATOM 0 HG SER A 83 -3.971 3.189 1.692 1.00 0.00 H new ATOM 1306 N PHE A 84 -5.886 -1.147 0.575 1.00 0.00 N ATOM 1307 CA PHE A 84 -5.892 -2.356 1.405 1.00 0.00 C ATOM 1308 C PHE A 84 -5.615 -2.054 2.881 1.00 0.00 C ATOM 1309 O PHE A 84 -4.769 -1.225 3.215 1.00 0.00 O ATOM 1310 CB PHE A 84 -4.866 -3.365 0.880 1.00 0.00 C ATOM 1311 CG PHE A 84 -4.812 -4.639 1.676 1.00 0.00 C ATOM 1312 CD1 PHE A 84 -3.988 -4.748 2.788 1.00 0.00 C ATOM 1313 CD2 PHE A 84 -5.584 -5.730 1.313 1.00 0.00 C ATOM 1314 CE1 PHE A 84 -3.938 -5.918 3.518 1.00 0.00 C ATOM 1315 CE2 PHE A 84 -5.537 -6.903 2.041 1.00 0.00 C ATOM 1316 CZ PHE A 84 -4.713 -6.997 3.144 1.00 0.00 C ATOM 0 H PHE A 84 -6.759 -0.986 0.072 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.894 -2.781 1.341 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.102 -3.604 -0.157 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.879 -2.902 0.884 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.379 -3.907 3.085 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -6.230 -5.663 0.450 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.293 -5.989 4.381 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -6.145 -7.746 1.747 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.675 -7.914 3.714 1.00 0.00 H new ATOM 1326 N GLY A 85 -6.342 -2.740 3.762 1.00 0.00 N ATOM 1327 CA GLY A 85 -6.154 -2.558 5.192 1.00 0.00 C ATOM 1328 C GLY A 85 -7.058 -1.491 5.777 1.00 0.00 C ATOM 1329 O GLY A 85 -6.595 -0.615 6.506 1.00 0.00 O ATOM 0 H GLY A 85 -7.059 -3.420 3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.341 -3.504 5.701 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.115 -2.292 5.385 1.00 0.00 H new ATOM 1333 N SER A 86 -8.350 -1.576 5.468 1.00 0.00 N ATOM 1334 CA SER A 86 -9.326 -0.607 5.959 1.00 0.00 C ATOM 1335 C SER A 86 -10.739 -1.008 5.570 1.00 0.00 C ATOM 1336 O SER A 86 -11.171 -2.136 5.818 1.00 0.00 O ATOM 1337 CB SER A 86 -9.003 0.790 5.416 1.00 0.00 C ATOM 1338 OG SER A 86 -7.958 1.402 6.152 1.00 0.00 O ATOM 0 H SER A 86 -8.746 -2.308 4.878 1.00 0.00 H new ATOM 0 HA SER A 86 -9.267 -0.588 7.047 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.717 0.717 4.367 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.895 1.414 5.460 1.00 0.00 H new ATOM 0 HG SER A 86 -7.502 0.726 6.696 1.00 0.00 H new ATOM 1344 N GLN A 87 -11.439 -0.074 4.948 1.00 0.00 N ATOM 1345 CA GLN A 87 -12.809 -0.303 4.506 1.00 0.00 C ATOM 1346 C GLN A 87 -13.440 0.978 3.978 1.00 0.00 C ATOM 1347 O GLN A 87 -12.986 2.083 4.281 1.00 0.00 O ATOM 1348 CB GLN A 87 -13.665 -0.875 5.643 1.00 0.00 C ATOM 1349 CG GLN A 87 -13.640 -0.047 6.919 1.00 0.00 C ATOM 1350 CD GLN A 87 -14.447 1.233 6.807 1.00 0.00 C ATOM 1351 OE1 GLN A 87 -15.496 1.203 5.994 1.00 0.00 O flip ATOM 1352 NE2 GLN A 87 -14.133 2.236 7.447 1.00 0.00 N flip ATOM 0 H GLN A 87 -11.080 0.857 4.736 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.771 -1.030 3.695 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -14.696 -0.961 5.299 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.320 -1.884 5.871 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.030 -0.646 7.742 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -12.608 0.201 7.166 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -13.319 2.215 8.061 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.687 3.088 7.364 1.00 0.00 H new ATOM 1361 N ILE A 88 -14.492 0.816 3.186 1.00 0.00 N ATOM 1362 CA ILE A 88 -15.203 1.945 2.606 1.00 0.00 C ATOM 1363 C ILE A 88 -16.693 1.851 2.908 1.00 0.00 C ATOM 1364 O ILE A 88 -17.434 1.153 2.218 1.00 0.00 O ATOM 1365 CB ILE A 88 -14.986 2.018 1.082 1.00 0.00 C ATOM 1366 CG1 ILE A 88 -15.267 0.660 0.434 1.00 0.00 C ATOM 1367 CG2 ILE A 88 -13.567 2.473 0.777 1.00 0.00 C ATOM 1368 CD1 ILE A 88 -15.317 0.712 -1.077 1.00 0.00 C ATOM 0 H ILE A 88 -14.873 -0.095 2.930 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.802 2.853 3.056 1.00 0.00 H new ATOM 0 HB ILE A 88 -15.682 2.745 0.664 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -14.495 -0.046 0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -16.216 0.277 0.808 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.424 2.521 -0.303 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -13.400 3.460 1.209 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -12.858 1.765 1.205 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -15.520 -0.285 -1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -16.107 1.393 -1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -14.360 1.065 -1.461 1.00 0.00 H new ATOM 1380 N GLU A 89 -17.129 2.550 3.952 1.00 0.00 N ATOM 1381 CA GLU A 89 -18.535 2.530 4.343 1.00 0.00 C ATOM 1382 C GLU A 89 -19.418 2.984 3.194 1.00 0.00 C ATOM 1383 O GLU A 89 -18.930 3.373 2.133 1.00 0.00 O ATOM 1384 CB GLU A 89 -18.791 3.432 5.553 1.00 0.00 C ATOM 1385 CG GLU A 89 -17.601 3.581 6.480 1.00 0.00 C ATOM 1386 CD GLU A 89 -17.905 4.451 7.683 1.00 0.00 C ATOM 1387 OE1 GLU A 89 -17.857 5.691 7.547 1.00 0.00 O ATOM 1388 OE2 GLU A 89 -18.195 3.892 8.762 1.00 0.00 O ATOM 0 H GLU A 89 -16.533 3.134 4.539 1.00 0.00 H new ATOM 0 HA GLU A 89 -18.780 1.502 4.610 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -19.088 4.419 5.200 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -19.631 3.031 6.120 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -17.284 2.595 6.820 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -16.766 4.011 5.927 1.00 0.00 H new ATOM 1395 N PHE A 90 -20.723 2.932 3.413 1.00 0.00 N ATOM 1396 CA PHE A 90 -21.676 3.350 2.402 1.00 0.00 C ATOM 1397 C PHE A 90 -22.763 4.215 3.029 1.00 0.00 C ATOM 1398 O PHE A 90 -22.747 4.461 4.235 1.00 0.00 O ATOM 1399 CB PHE A 90 -22.275 2.134 1.695 1.00 0.00 C ATOM 1400 CG PHE A 90 -21.248 1.323 0.955 1.00 0.00 C ATOM 1401 CD1 PHE A 90 -20.548 0.315 1.601 1.00 0.00 C ATOM 1402 CD2 PHE A 90 -20.973 1.574 -0.384 1.00 0.00 C ATOM 1403 CE1 PHE A 90 -19.598 -0.427 0.927 1.00 0.00 C ATOM 1404 CE2 PHE A 90 -20.023 0.834 -1.061 1.00 0.00 C ATOM 1405 CZ PHE A 90 -19.334 -0.168 -0.404 1.00 0.00 C ATOM 0 H PHE A 90 -21.144 2.604 4.282 1.00 0.00 H new ATOM 0 HA PHE A 90 -21.156 3.948 1.653 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -22.770 1.500 2.430 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -23.041 2.468 0.995 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -20.748 0.108 2.642 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -21.508 2.357 -0.901 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -19.061 -1.210 1.441 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -19.819 1.038 -2.102 1.00 0.00 H new ATOM 0 HZ PHE A 90 -18.590 -0.748 -0.930 1.00 0.00 H new ATOM 1415 N SER A 91 -23.710 4.667 2.215 1.00 0.00 N ATOM 1416 CA SER A 91 -24.774 5.526 2.723 1.00 0.00 C ATOM 1417 C SER A 91 -25.991 5.533 1.809 1.00 0.00 C ATOM 1418 O SER A 91 -25.952 6.069 0.705 1.00 0.00 O ATOM 1419 CB SER A 91 -24.263 6.955 2.910 1.00 0.00 C ATOM 1420 OG SER A 91 -23.163 6.994 3.802 1.00 0.00 O ATOM 0 H SER A 91 -23.764 4.458 1.218 1.00 0.00 H new ATOM 0 HA SER A 91 -25.082 5.118 3.686 1.00 0.00 H new ATOM 0 HB2 SER A 91 -23.967 7.367 1.945 1.00 0.00 H new ATOM 0 HB3 SER A 91 -25.067 7.584 3.292 1.00 0.00 H new ATOM 0 HG SER A 91 -23.116 6.151 4.300 1.00 0.00 H new ATOM 1426 N CYS A 92 -27.077 4.961 2.302 1.00 0.00 N ATOM 1427 CA CYS A 92 -28.303 4.914 1.519 1.00 0.00 C ATOM 1428 C CYS A 92 -29.063 6.225 1.688 1.00 0.00 C ATOM 1429 O CYS A 92 -29.394 6.625 2.804 1.00 0.00 O ATOM 1430 CB CYS A 92 -29.166 3.719 1.920 1.00 0.00 C ATOM 1431 SG CYS A 92 -30.318 3.194 0.625 1.00 0.00 S ATOM 0 H CYS A 92 -27.137 4.529 3.224 1.00 0.00 H new ATOM 0 HA CYS A 92 -28.048 4.787 0.467 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -28.517 2.883 2.179 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -29.731 3.973 2.817 1.00 0.00 H new ATOM 1436 N SER A 93 -29.326 6.892 0.565 1.00 0.00 N ATOM 1437 CA SER A 93 -30.020 8.179 0.573 1.00 0.00 C ATOM 1438 C SER A 93 -31.284 8.155 1.421 1.00 0.00 C ATOM 1439 O SER A 93 -31.761 7.097 1.829 1.00 0.00 O ATOM 1440 CB SER A 93 -30.384 8.600 -0.849 1.00 0.00 C ATOM 1441 OG SER A 93 -29.228 8.923 -1.603 1.00 0.00 O ATOM 0 H SER A 93 -29.068 6.561 -0.365 1.00 0.00 H new ATOM 0 HA SER A 93 -29.330 8.899 1.014 1.00 0.00 H new ATOM 0 HB2 SER A 93 -30.928 7.794 -1.341 1.00 0.00 H new ATOM 0 HB3 SER A 93 -31.051 9.461 -0.816 1.00 0.00 H new ATOM 0 HG SER A 93 -29.492 9.187 -2.509 1.00 0.00 H new ATOM 1447 N GLU A 94 -31.819 9.345 1.667 1.00 0.00 N ATOM 1448 CA GLU A 94 -33.037 9.505 2.446 1.00 0.00 C ATOM 1449 C GLU A 94 -34.119 8.545 1.961 1.00 0.00 C ATOM 1450 O GLU A 94 -34.149 8.164 0.791 1.00 0.00 O ATOM 1451 CB GLU A 94 -33.526 10.950 2.331 1.00 0.00 C ATOM 1452 CG GLU A 94 -34.895 11.185 2.935 1.00 0.00 C ATOM 1453 CD GLU A 94 -34.875 11.194 4.451 1.00 0.00 C ATOM 1454 OE1 GLU A 94 -34.435 12.209 5.032 1.00 0.00 O ATOM 1455 OE2 GLU A 94 -35.299 10.188 5.058 1.00 0.00 O ATOM 0 H GLU A 94 -31.421 10.223 1.333 1.00 0.00 H new ATOM 0 HA GLU A 94 -32.822 9.274 3.489 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -32.806 11.607 2.820 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -33.551 11.232 1.278 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -35.287 12.137 2.576 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -35.577 10.408 2.590 1.00 0.00 H new ATOM 1462 N GLY A 95 -35.006 8.163 2.874 1.00 0.00 N ATOM 1463 CA GLY A 95 -36.084 7.253 2.533 1.00 0.00 C ATOM 1464 C GLY A 95 -35.629 5.812 2.409 1.00 0.00 C ATOM 1465 O GLY A 95 -36.368 4.898 2.771 1.00 0.00 O ATOM 0 H GLY A 95 -34.997 8.469 3.847 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -36.861 7.318 3.295 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -36.533 7.568 1.591 1.00 0.00 H new ATOM 1469 N PHE A 96 -34.418 5.597 1.906 1.00 0.00 N ATOM 1470 CA PHE A 96 -33.910 4.241 1.734 1.00 0.00 C ATOM 1471 C PHE A 96 -32.763 3.990 2.701 1.00 0.00 C ATOM 1472 O PHE A 96 -31.804 4.758 2.749 1.00 0.00 O ATOM 1473 CB PHE A 96 -33.425 4.005 0.303 1.00 0.00 C ATOM 1474 CG PHE A 96 -33.827 5.074 -0.667 1.00 0.00 C ATOM 1475 CD1 PHE A 96 -35.116 5.125 -1.169 1.00 0.00 C ATOM 1476 CD2 PHE A 96 -32.909 6.025 -1.074 1.00 0.00 C ATOM 1477 CE1 PHE A 96 -35.485 6.110 -2.063 1.00 0.00 C ATOM 1478 CE2 PHE A 96 -33.271 7.013 -1.970 1.00 0.00 C ATOM 1479 CZ PHE A 96 -34.561 7.056 -2.465 1.00 0.00 C ATOM 0 H PHE A 96 -33.777 6.334 1.613 1.00 0.00 H new ATOM 0 HA PHE A 96 -34.728 3.550 1.940 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -32.338 3.925 0.308 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -33.813 3.048 -0.047 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -35.840 4.387 -0.858 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -31.901 5.995 -0.688 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -36.494 6.141 -2.448 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -32.547 7.751 -2.283 1.00 0.00 H new ATOM 0 HZ PHE A 96 -34.846 7.828 -3.165 1.00 0.00 H new ATOM 1489 N PHE A 97 -32.864 2.918 3.473 1.00 0.00 N ATOM 1490 CA PHE A 97 -31.823 2.584 4.432 1.00 0.00 C ATOM 1491 C PHE A 97 -30.826 1.610 3.826 1.00 0.00 C ATOM 1492 O PHE A 97 -31.046 1.047 2.755 1.00 0.00 O ATOM 1493 CB PHE A 97 -32.437 2.018 5.719 1.00 0.00 C ATOM 1494 CG PHE A 97 -33.028 0.642 5.584 1.00 0.00 C ATOM 1495 CD1 PHE A 97 -34.106 0.411 4.744 1.00 0.00 C ATOM 1496 CD2 PHE A 97 -32.514 -0.418 6.315 1.00 0.00 C ATOM 1497 CE1 PHE A 97 -34.661 -0.849 4.637 1.00 0.00 C ATOM 1498 CE2 PHE A 97 -33.065 -1.682 6.210 1.00 0.00 C ATOM 1499 CZ PHE A 97 -34.139 -1.897 5.371 1.00 0.00 C ATOM 0 H PHE A 97 -33.651 2.269 3.454 1.00 0.00 H new ATOM 0 HA PHE A 97 -31.285 3.497 4.688 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -31.668 1.994 6.491 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -33.214 2.700 6.064 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -34.517 1.226 4.166 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -31.674 -0.255 6.974 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -35.502 -1.015 3.980 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -32.655 -2.500 6.784 1.00 0.00 H new ATOM 0 HZ PHE A 97 -34.571 -2.883 5.288 1.00 0.00 H new ATOM 1509 N LEU A 98 -29.727 1.429 4.541 1.00 0.00 N ATOM 1510 CA LEU A 98 -28.677 0.532 4.087 1.00 0.00 C ATOM 1511 C LEU A 98 -28.941 -0.886 4.570 1.00 0.00 C ATOM 1512 O LEU A 98 -29.382 -1.096 5.701 1.00 0.00 O ATOM 1513 CB LEU A 98 -27.314 1.014 4.575 1.00 0.00 C ATOM 1514 CG LEU A 98 -26.126 0.345 3.885 1.00 0.00 C ATOM 1515 CD1 LEU A 98 -24.918 1.264 3.905 1.00 0.00 C ATOM 1516 CD2 LEU A 98 -25.808 -0.983 4.550 1.00 0.00 C ATOM 0 H LEU A 98 -29.540 1.888 5.432 1.00 0.00 H new ATOM 0 HA LEU A 98 -28.674 0.531 2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -27.247 2.091 4.424 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -27.242 0.838 5.648 1.00 0.00 H new ATOM 0 HG LEU A 98 -26.388 0.150 2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -24.080 0.774 3.410 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -25.157 2.190 3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -24.649 1.489 4.937 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -24.960 -1.448 4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -25.561 -0.815 5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -26.675 -1.641 4.482 1.00 0.00 H new ATOM 1528 N ILE A 99 -28.666 -1.858 3.709 1.00 0.00 N ATOM 1529 CA ILE A 99 -28.862 -3.271 4.018 1.00 0.00 C ATOM 1530 C ILE A 99 -27.957 -4.118 3.147 1.00 0.00 C ATOM 1531 O ILE A 99 -28.137 -4.224 1.937 1.00 0.00 O ATOM 1532 CB ILE A 99 -30.309 -3.719 3.741 1.00 0.00 C ATOM 1533 CG1 ILE A 99 -31.213 -2.506 3.542 1.00 0.00 C ATOM 1534 CG2 ILE A 99 -30.821 -4.594 4.871 1.00 0.00 C ATOM 1535 CD1 ILE A 99 -32.420 -2.778 2.672 1.00 0.00 C ATOM 0 H ILE A 99 -28.299 -1.689 2.772 1.00 0.00 H new ATOM 0 HA ILE A 99 -28.634 -3.400 5.076 1.00 0.00 H new ATOM 0 HB ILE A 99 -30.321 -4.308 2.824 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -31.552 -2.154 4.516 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -30.630 -1.700 3.096 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -31.845 -4.901 4.658 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -30.189 -5.477 4.962 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -30.797 -4.033 5.805 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -33.013 -1.868 2.578 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -32.091 -3.101 1.684 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -33.027 -3.561 3.126 1.00 0.00 H new ATOM 1547 N GLY A 100 -26.985 -4.727 3.808 1.00 0.00 N ATOM 1548 CA GLY A 100 -26.010 -5.560 3.137 1.00 0.00 C ATOM 1549 C GLY A 100 -24.744 -5.690 3.952 1.00 0.00 C ATOM 1550 O GLY A 100 -24.331 -6.788 4.325 1.00 0.00 O ATOM 0 H GLY A 100 -26.853 -4.656 4.817 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -26.434 -6.548 2.960 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -25.775 -5.134 2.162 1.00 0.00 H new ATOM 1554 N SER A 101 -24.148 -4.538 4.229 1.00 0.00 N ATOM 1555 CA SER A 101 -22.918 -4.431 5.000 1.00 0.00 C ATOM 1556 C SER A 101 -22.415 -3.003 4.886 1.00 0.00 C ATOM 1557 O SER A 101 -21.831 -2.628 3.869 1.00 0.00 O ATOM 1558 CB SER A 101 -21.856 -5.407 4.481 1.00 0.00 C ATOM 1559 OG SER A 101 -20.649 -5.282 5.212 1.00 0.00 O ATOM 0 H SER A 101 -24.512 -3.637 3.919 1.00 0.00 H new ATOM 0 HA SER A 101 -23.116 -4.685 6.041 1.00 0.00 H new ATOM 0 HB2 SER A 101 -22.228 -6.429 4.558 1.00 0.00 H new ATOM 0 HB3 SER A 101 -21.667 -5.216 3.425 1.00 0.00 H new ATOM 0 HG SER A 101 -20.116 -4.548 4.841 1.00 0.00 H new ATOM 1565 N THR A 102 -22.641 -2.200 5.921 1.00 0.00 N ATOM 1566 CA THR A 102 -22.244 -0.802 5.886 1.00 0.00 C ATOM 1567 C THR A 102 -20.745 -0.664 5.742 1.00 0.00 C ATOM 1568 O THR A 102 -20.237 0.420 5.461 1.00 0.00 O ATOM 1569 CB THR A 102 -22.695 -0.047 7.150 1.00 0.00 C ATOM 1570 OG1 THR A 102 -21.895 -0.448 8.269 1.00 0.00 O ATOM 1571 CG2 THR A 102 -24.161 -0.318 7.453 1.00 0.00 C ATOM 0 H THR A 102 -23.094 -2.493 6.787 1.00 0.00 H new ATOM 0 HA THR A 102 -22.736 -0.362 5.019 1.00 0.00 H new ATOM 0 HB THR A 102 -22.568 1.021 6.971 1.00 0.00 H new ATOM 0 HG1 THR A 102 -22.186 0.037 9.069 1.00 0.00 H new ATOM 0 HG21 THR A 102 -24.454 0.227 8.350 1.00 0.00 H new ATOM 0 HG22 THR A 102 -24.773 0.011 6.613 1.00 0.00 H new ATOM 0 HG23 THR A 102 -24.308 -1.386 7.613 1.00 0.00 H new ATOM 1579 N THR A 103 -20.038 -1.760 5.936 1.00 0.00 N ATOM 1580 CA THR A 103 -18.599 -1.752 5.809 1.00 0.00 C ATOM 1581 C THR A 103 -18.158 -2.669 4.685 1.00 0.00 C ATOM 1582 O THR A 103 -18.869 -3.602 4.313 1.00 0.00 O ATOM 1583 CB THR A 103 -17.920 -2.161 7.115 1.00 0.00 C ATOM 1584 OG1 THR A 103 -18.513 -3.358 7.634 1.00 0.00 O ATOM 1585 CG2 THR A 103 -18.025 -1.040 8.134 1.00 0.00 C ATOM 0 H THR A 103 -20.439 -2.665 6.182 1.00 0.00 H new ATOM 0 HA THR A 103 -18.296 -0.731 5.575 1.00 0.00 H new ATOM 0 HB THR A 103 -16.867 -2.355 6.912 1.00 0.00 H new ATOM 0 HG1 THR A 103 -18.067 -3.609 8.470 1.00 0.00 H new ATOM 0 HG21 THR A 103 -17.537 -1.344 9.060 1.00 0.00 H new ATOM 0 HG22 THR A 103 -17.538 -0.147 7.743 1.00 0.00 H new ATOM 0 HG23 THR A 103 -19.075 -0.824 8.331 1.00 0.00 H new ATOM 1593 N SER A 104 -16.981 -2.397 4.145 1.00 0.00 N ATOM 1594 CA SER A 104 -16.401 -3.212 3.096 1.00 0.00 C ATOM 1595 C SER A 104 -14.889 -3.184 3.256 1.00 0.00 C ATOM 1596 O SER A 104 -14.258 -2.157 3.025 1.00 0.00 O ATOM 1597 CB SER A 104 -16.813 -2.698 1.715 1.00 0.00 C ATOM 1598 OG SER A 104 -18.177 -2.981 1.455 1.00 0.00 O ATOM 0 H SER A 104 -16.403 -1.604 4.423 1.00 0.00 H new ATOM 0 HA SER A 104 -16.764 -4.236 3.178 1.00 0.00 H new ATOM 0 HB2 SER A 104 -16.643 -1.623 1.658 1.00 0.00 H new ATOM 0 HB3 SER A 104 -16.189 -3.160 0.950 1.00 0.00 H new ATOM 0 HG SER A 104 -18.242 -3.665 0.757 1.00 0.00 H new ATOM 1604 N ARG A 105 -14.307 -4.321 3.617 1.00 0.00 N ATOM 1605 CA ARG A 105 -12.872 -4.415 3.855 1.00 0.00 C ATOM 1606 C ARG A 105 -12.136 -4.921 2.625 1.00 0.00 C ATOM 1607 O ARG A 105 -12.646 -5.760 1.882 1.00 0.00 O ATOM 1608 CB ARG A 105 -12.600 -5.336 5.046 1.00 0.00 C ATOM 1609 CG ARG A 105 -13.281 -4.877 6.327 1.00 0.00 C ATOM 1610 CD ARG A 105 -12.918 -5.766 7.507 1.00 0.00 C ATOM 1611 NE ARG A 105 -11.474 -5.932 7.644 1.00 0.00 N ATOM 1612 CZ ARG A 105 -10.868 -6.213 8.794 1.00 0.00 C ATOM 1613 NH1 ARG A 105 -11.577 -6.344 9.908 1.00 0.00 N ATOM 1614 NH2 ARG A 105 -9.551 -6.363 8.831 1.00 0.00 N ATOM 0 H ARG A 105 -14.811 -5.197 3.752 1.00 0.00 H new ATOM 0 HA ARG A 105 -12.501 -3.415 4.078 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.939 -6.343 4.803 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.525 -5.393 5.214 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.993 -3.848 6.544 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -14.362 -4.882 6.186 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.322 -5.335 8.423 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.385 -6.743 7.382 1.00 0.00 H new ATOM 0 HE ARG A 105 -10.897 -5.826 6.810 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -12.590 -6.229 9.884 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -11.109 -6.560 10.788 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -9.002 -6.263 7.977 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -9.087 -6.578 9.713 1.00 0.00 H new ATOM 1628 N CYS A 106 -10.928 -4.412 2.423 1.00 0.00 N ATOM 1629 CA CYS A 106 -10.120 -4.807 1.284 1.00 0.00 C ATOM 1630 C CYS A 106 -9.167 -5.920 1.681 1.00 0.00 C ATOM 1631 O CYS A 106 -8.278 -5.725 2.511 1.00 0.00 O ATOM 1632 CB CYS A 106 -9.335 -3.615 0.735 1.00 0.00 C ATOM 1633 SG CYS A 106 -9.957 -2.980 -0.855 1.00 0.00 S ATOM 0 H CYS A 106 -10.489 -3.725 3.035 1.00 0.00 H new ATOM 0 HA CYS A 106 -10.786 -5.170 0.501 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -9.358 -2.810 1.469 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -8.292 -3.906 0.614 1.00 0.00 H new ATOM 1638 N GLU A 107 -9.368 -7.087 1.094 1.00 0.00 N ATOM 1639 CA GLU A 107 -8.545 -8.245 1.392 1.00 0.00 C ATOM 1640 C GLU A 107 -7.829 -8.712 0.129 1.00 0.00 C ATOM 1641 O GLU A 107 -7.875 -8.030 -0.890 1.00 0.00 O ATOM 1642 CB GLU A 107 -9.426 -9.355 1.967 1.00 0.00 C ATOM 1643 CG GLU A 107 -8.661 -10.439 2.708 1.00 0.00 C ATOM 1644 CD GLU A 107 -7.939 -9.912 3.932 1.00 0.00 C ATOM 1645 OE1 GLU A 107 -6.804 -9.415 3.784 1.00 0.00 O ATOM 1646 OE2 GLU A 107 -8.510 -10.000 5.040 1.00 0.00 O ATOM 0 H GLU A 107 -10.099 -7.258 0.404 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.788 -7.982 2.131 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.153 -8.911 2.646 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.988 -9.814 1.154 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -9.353 -11.225 3.010 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.937 -10.894 2.032 1.00 0.00 H new ATOM 1653 N VAL A 108 -7.121 -9.835 0.223 1.00 0.00 N ATOM 1654 CA VAL A 108 -6.415 -10.383 -0.933 1.00 0.00 C ATOM 1655 C VAL A 108 -6.506 -11.902 -1.019 1.00 0.00 C ATOM 1656 O VAL A 108 -6.285 -12.612 -0.037 1.00 0.00 O ATOM 1657 CB VAL A 108 -4.934 -9.985 -0.936 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -4.243 -10.545 -2.177 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -4.793 -8.476 -0.868 1.00 0.00 C ATOM 0 H VAL A 108 -7.021 -10.380 1.080 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.916 -9.954 -1.801 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.451 -10.408 -0.055 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.192 -10.257 -2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.321 -11.632 -2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.722 -10.146 -3.071 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.736 -8.209 -0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.284 -8.025 -1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.258 -8.108 0.047 1.00 0.00 H new ATOM 1669 N GLN A 109 -6.829 -12.379 -2.219 1.00 0.00 N ATOM 1670 CA GLN A 109 -6.938 -13.813 -2.465 1.00 0.00 C ATOM 1671 C GLN A 109 -7.249 -14.109 -3.927 1.00 0.00 C ATOM 1672 O GLN A 109 -8.032 -15.009 -4.232 1.00 0.00 O ATOM 1673 CB GLN A 109 -8.030 -14.403 -1.578 1.00 0.00 C ATOM 1674 CG GLN A 109 -9.360 -13.686 -1.724 1.00 0.00 C ATOM 1675 CD GLN A 109 -10.381 -14.128 -0.692 1.00 0.00 C ATOM 1676 OE1 GLN A 109 -10.355 -15.267 -0.225 1.00 0.00 O ATOM 1677 NE2 GLN A 109 -11.285 -13.226 -0.332 1.00 0.00 N ATOM 0 H GLN A 109 -7.019 -11.795 -3.033 1.00 0.00 H new ATOM 0 HA GLN A 109 -5.977 -14.270 -2.227 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.162 -15.457 -1.825 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -7.710 -14.357 -0.537 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.200 -12.612 -1.634 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -9.758 -13.867 -2.723 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.268 -12.294 -0.746 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -11.997 -13.465 0.358 1.00 0.00 H new ATOM 1686 N ASP A 110 -6.625 -13.361 -4.826 1.00 0.00 N ATOM 1687 CA ASP A 110 -6.842 -13.556 -6.251 1.00 0.00 C ATOM 1688 C ASP A 110 -5.799 -12.811 -7.077 1.00 0.00 C ATOM 1689 O ASP A 110 -4.654 -13.251 -7.185 1.00 0.00 O ATOM 1690 CB ASP A 110 -8.254 -13.117 -6.647 1.00 0.00 C ATOM 1691 CG ASP A 110 -8.568 -13.412 -8.101 1.00 0.00 C ATOM 1692 OD1 ASP A 110 -8.961 -14.560 -8.402 1.00 0.00 O ATOM 1693 OD2 ASP A 110 -8.421 -12.498 -8.939 1.00 0.00 O ATOM 0 H ASP A 110 -5.967 -12.617 -4.595 1.00 0.00 H new ATOM 0 HA ASP A 110 -6.738 -14.620 -6.461 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -8.980 -13.624 -6.012 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -8.363 -12.048 -6.465 1.00 0.00 H new ATOM 1698 N ARG A 111 -6.195 -11.684 -7.657 1.00 0.00 N ATOM 1699 CA ARG A 111 -5.295 -10.892 -8.469 1.00 0.00 C ATOM 1700 C ARG A 111 -4.530 -9.889 -7.629 1.00 0.00 C ATOM 1701 O ARG A 111 -4.332 -8.742 -8.032 1.00 0.00 O ATOM 1702 CB ARG A 111 -6.072 -10.176 -9.572 1.00 0.00 C ATOM 1703 CG ARG A 111 -6.347 -11.044 -10.788 1.00 0.00 C ATOM 1704 CD ARG A 111 -7.083 -10.267 -11.869 1.00 0.00 C ATOM 1705 NE ARG A 111 -8.369 -9.762 -11.399 1.00 0.00 N ATOM 1706 CZ ARG A 111 -9.145 -8.949 -12.108 1.00 0.00 C ATOM 1707 NH1 ARG A 111 -8.768 -8.550 -13.315 1.00 0.00 N ATOM 1708 NH2 ARG A 111 -10.303 -8.536 -11.611 1.00 0.00 N ATOM 0 H ARG A 111 -7.137 -11.302 -7.576 1.00 0.00 H new ATOM 0 HA ARG A 111 -4.571 -11.568 -8.924 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -7.020 -9.824 -9.166 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -5.512 -9.295 -9.885 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -5.406 -11.423 -11.187 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -6.940 -11.910 -10.493 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -6.465 -9.433 -12.200 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -7.240 -10.910 -12.735 1.00 0.00 H new ATOM 0 HE ARG A 111 -8.690 -10.049 -10.474 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -7.879 -8.867 -13.703 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -9.367 -7.926 -13.856 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -10.598 -8.842 -10.684 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -10.898 -7.912 -12.156 1.00 0.00 H new ATOM 1722 N GLY A 112 -4.092 -10.330 -6.461 1.00 0.00 N ATOM 1723 CA GLY A 112 -3.347 -9.459 -5.587 1.00 0.00 C ATOM 1724 C GLY A 112 -4.243 -8.758 -4.602 1.00 0.00 C ATOM 1725 O GLY A 112 -3.761 -8.084 -3.689 1.00 0.00 O ATOM 0 H GLY A 112 -4.240 -11.274 -6.105 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -2.598 -10.039 -5.048 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -2.811 -8.719 -6.181 1.00 0.00 H new ATOM 1729 N VAL A 113 -5.557 -8.903 -4.786 1.00 0.00 N ATOM 1730 CA VAL A 113 -6.515 -8.282 -3.879 1.00 0.00 C ATOM 1731 C VAL A 113 -7.932 -8.810 -4.092 1.00 0.00 C ATOM 1732 O VAL A 113 -8.411 -8.906 -5.223 1.00 0.00 O ATOM 1733 CB VAL A 113 -6.536 -6.751 -4.031 1.00 0.00 C ATOM 1734 CG1 VAL A 113 -5.997 -6.077 -2.780 1.00 0.00 C ATOM 1735 CG2 VAL A 113 -5.739 -6.337 -5.251 1.00 0.00 C ATOM 0 H VAL A 113 -5.975 -9.439 -5.546 1.00 0.00 H new ATOM 0 HA VAL A 113 -6.183 -8.543 -2.874 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.569 -6.430 -4.166 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.021 -4.995 -2.910 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -6.613 -6.353 -1.924 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.970 -6.399 -2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.761 -5.252 -5.349 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.707 -6.671 -5.142 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.175 -6.790 -6.141 1.00 0.00 H new ATOM 1745 N GLY A 114 -8.588 -9.150 -2.995 1.00 0.00 N ATOM 1746 CA GLY A 114 -9.945 -9.638 -3.094 1.00 0.00 C ATOM 1747 C GLY A 114 -10.916 -8.730 -2.355 1.00 0.00 C ATOM 1748 O GLY A 114 -10.573 -8.182 -1.308 1.00 0.00 O ATOM 0 H GLY A 114 -8.211 -9.098 -2.049 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -10.234 -9.705 -4.143 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.002 -10.646 -2.683 1.00 0.00 H new ATOM 1752 N TRP A 115 -12.123 -8.564 -2.887 1.00 0.00 N ATOM 1753 CA TRP A 115 -13.132 -7.722 -2.251 1.00 0.00 C ATOM 1754 C TRP A 115 -14.141 -8.575 -1.488 1.00 0.00 C ATOM 1755 O TRP A 115 -14.603 -9.599 -1.992 1.00 0.00 O ATOM 1756 CB TRP A 115 -13.870 -6.869 -3.291 1.00 0.00 C ATOM 1757 CG TRP A 115 -13.573 -5.400 -3.203 1.00 0.00 C ATOM 1758 CD1 TRP A 115 -13.157 -4.587 -4.217 1.00 0.00 C ATOM 1759 CD2 TRP A 115 -13.675 -4.567 -2.041 1.00 0.00 C ATOM 1760 NE1 TRP A 115 -12.998 -3.302 -3.757 1.00 0.00 N ATOM 1761 CE2 TRP A 115 -13.307 -3.265 -2.427 1.00 0.00 C ATOM 1762 CE3 TRP A 115 -14.043 -4.794 -0.712 1.00 0.00 C ATOM 1763 CZ2 TRP A 115 -13.297 -2.197 -1.535 1.00 0.00 C ATOM 1764 CZ3 TRP A 115 -14.030 -3.733 0.171 1.00 0.00 C ATOM 1765 CH2 TRP A 115 -13.660 -2.448 -0.243 1.00 0.00 C ATOM 0 H TRP A 115 -12.427 -9.001 -3.757 1.00 0.00 H new ATOM 0 HA TRP A 115 -12.618 -7.062 -1.552 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -13.607 -7.223 -4.288 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -14.943 -7.019 -3.173 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -12.979 -4.907 -5.233 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -12.698 -2.505 -4.318 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -14.332 -5.781 -0.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -13.012 -1.205 -1.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -14.311 -3.897 1.201 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -13.662 -1.640 0.473 1.00 0.00 H new ATOM 1776 N SER A 116 -14.481 -8.150 -0.275 1.00 0.00 N ATOM 1777 CA SER A 116 -15.447 -8.880 0.540 1.00 0.00 C ATOM 1778 C SER A 116 -16.836 -8.799 -0.086 1.00 0.00 C ATOM 1779 O SER A 116 -17.355 -9.786 -0.606 1.00 0.00 O ATOM 1780 CB SER A 116 -15.476 -8.318 1.964 1.00 0.00 C ATOM 1781 OG SER A 116 -15.698 -6.919 1.959 1.00 0.00 O ATOM 0 H SER A 116 -14.105 -7.309 0.163 1.00 0.00 H new ATOM 0 HA SER A 116 -15.143 -9.926 0.584 1.00 0.00 H new ATOM 0 HB2 SER A 116 -16.262 -8.811 2.536 1.00 0.00 H new ATOM 0 HB3 SER A 116 -14.532 -8.537 2.463 1.00 0.00 H new ATOM 0 HG SER A 116 -14.837 -6.451 1.938 1.00 0.00 H new ATOM 1787 N HIS A 117 -17.428 -7.610 -0.031 1.00 0.00 N ATOM 1788 CA HIS A 117 -18.750 -7.374 -0.601 1.00 0.00 C ATOM 1789 C HIS A 117 -18.827 -5.963 -1.178 1.00 0.00 C ATOM 1790 O HIS A 117 -18.393 -5.006 -0.538 1.00 0.00 O ATOM 1791 CB HIS A 117 -19.840 -7.564 0.459 1.00 0.00 C ATOM 1792 CG HIS A 117 -20.034 -8.989 0.880 1.00 0.00 C ATOM 1793 ND1 HIS A 117 -20.860 -9.867 0.209 1.00 0.00 N ATOM 1794 CD2 HIS A 117 -19.511 -9.688 1.916 1.00 0.00 C ATOM 1795 CE1 HIS A 117 -20.836 -11.041 0.811 1.00 0.00 C ATOM 1796 NE2 HIS A 117 -20.024 -10.960 1.849 1.00 0.00 N ATOM 0 H HIS A 117 -17.009 -6.789 0.406 1.00 0.00 H new ATOM 0 HA HIS A 117 -18.914 -8.098 -1.399 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -19.589 -6.967 1.336 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -20.783 -7.178 0.070 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -18.819 -9.314 2.657 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -21.387 -11.919 0.507 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -19.812 -11.719 2.496 1.00 0.00 H new ATOM 1805 N PRO A 118 -19.374 -5.811 -2.396 1.00 0.00 N ATOM 1806 CA PRO A 118 -19.496 -4.514 -3.050 1.00 0.00 C ATOM 1807 C PRO A 118 -20.714 -3.744 -2.553 1.00 0.00 C ATOM 1808 O PRO A 118 -21.153 -3.929 -1.418 1.00 0.00 O ATOM 1809 CB PRO A 118 -19.655 -4.868 -4.539 1.00 0.00 C ATOM 1810 CG PRO A 118 -19.650 -6.365 -4.619 1.00 0.00 C ATOM 1811 CD PRO A 118 -19.931 -6.872 -3.235 1.00 0.00 C ATOM 0 HA PRO A 118 -18.639 -3.871 -2.848 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -20.584 -4.460 -4.938 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -18.842 -4.445 -5.128 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -20.406 -6.717 -5.321 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -18.687 -6.730 -4.977 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -20.998 -7.010 -3.061 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -19.451 -7.833 -3.048 1.00 0.00 H new ATOM 1819 N LEU A 119 -21.249 -2.876 -3.407 1.00 0.00 N ATOM 1820 CA LEU A 119 -22.422 -2.079 -3.070 1.00 0.00 C ATOM 1821 C LEU A 119 -23.481 -2.923 -2.368 1.00 0.00 C ATOM 1822 O LEU A 119 -23.755 -4.053 -2.776 1.00 0.00 O ATOM 1823 CB LEU A 119 -23.039 -1.455 -4.328 1.00 0.00 C ATOM 1824 CG LEU A 119 -22.100 -1.244 -5.522 1.00 0.00 C ATOM 1825 CD1 LEU A 119 -20.807 -0.583 -5.078 1.00 0.00 C ATOM 1826 CD2 LEU A 119 -21.823 -2.561 -6.233 1.00 0.00 C ATOM 0 H LEU A 119 -20.884 -2.707 -4.344 1.00 0.00 H new ATOM 0 HA LEU A 119 -22.090 -1.289 -2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -23.865 -2.088 -4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -23.465 -0.490 -4.055 1.00 0.00 H new ATOM 0 HG LEU A 119 -22.594 -0.579 -6.230 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -20.155 -0.443 -5.940 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -21.029 0.385 -4.629 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -20.307 -1.217 -4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -21.155 -2.386 -7.076 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -21.355 -3.258 -5.538 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -22.760 -2.983 -6.595 1.00 0.00 H new ATOM 1838 N PRO A 120 -24.093 -2.385 -1.300 1.00 0.00 N ATOM 1839 CA PRO A 120 -25.133 -3.081 -0.552 1.00 0.00 C ATOM 1840 C PRO A 120 -26.475 -3.012 -1.269 1.00 0.00 C ATOM 1841 O PRO A 120 -26.537 -2.699 -2.458 1.00 0.00 O ATOM 1842 CB PRO A 120 -25.203 -2.323 0.785 1.00 0.00 C ATOM 1843 CG PRO A 120 -24.147 -1.262 0.723 1.00 0.00 C ATOM 1844 CD PRO A 120 -23.818 -1.064 -0.729 1.00 0.00 C ATOM 0 HA PRO A 120 -24.910 -4.141 -0.432 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -26.189 -1.882 0.931 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -25.028 -2.997 1.624 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -24.505 -0.334 1.169 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -23.262 -1.564 1.283 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -24.436 -0.289 -1.183 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -22.779 -0.768 -0.873 1.00 0.00 H new ATOM 1852 N GLN A 121 -27.546 -3.307 -0.545 1.00 0.00 N ATOM 1853 CA GLN A 121 -28.887 -3.275 -1.099 1.00 0.00 C ATOM 1854 C GLN A 121 -29.683 -2.108 -0.528 1.00 0.00 C ATOM 1855 O GLN A 121 -29.941 -2.051 0.675 1.00 0.00 O ATOM 1856 CB GLN A 121 -29.594 -4.589 -0.794 1.00 0.00 C ATOM 1857 CG GLN A 121 -29.342 -5.672 -1.829 1.00 0.00 C ATOM 1858 CD GLN A 121 -29.868 -7.024 -1.392 1.00 0.00 C ATOM 1859 OE1 GLN A 121 -29.148 -7.816 -0.785 1.00 0.00 O ATOM 1860 NE2 GLN A 121 -31.132 -7.293 -1.695 1.00 0.00 N ATOM 0 H GLN A 121 -27.507 -3.574 0.439 1.00 0.00 H new ATOM 0 HA GLN A 121 -28.816 -3.141 -2.178 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -29.268 -4.949 0.182 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -30.666 -4.407 -0.725 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -29.814 -5.388 -2.770 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -28.271 -5.746 -2.020 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -31.693 -6.606 -2.200 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -31.543 -8.186 -1.423 1.00 0.00 H new ATOM 1869 N CYS A 122 -30.073 -1.182 -1.396 1.00 0.00 N ATOM 1870 CA CYS A 122 -30.835 -0.023 -0.963 1.00 0.00 C ATOM 1871 C CYS A 122 -32.324 -0.198 -1.227 1.00 0.00 C ATOM 1872 O CYS A 122 -32.761 -0.262 -2.377 1.00 0.00 O ATOM 1873 CB CYS A 122 -30.327 1.226 -1.669 1.00 0.00 C ATOM 1874 SG CYS A 122 -29.142 2.178 -0.679 1.00 0.00 S ATOM 0 H CYS A 122 -29.875 -1.212 -2.396 1.00 0.00 H new ATOM 0 HA CYS A 122 -30.697 0.083 0.113 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -29.856 0.938 -2.609 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -31.175 1.863 -1.920 1.00 0.00 H new ATOM 1879 N GLU A 123 -33.101 -0.275 -0.151 1.00 0.00 N ATOM 1880 CA GLU A 123 -34.545 -0.424 -0.249 1.00 0.00 C ATOM 1881 C GLU A 123 -35.215 0.650 0.599 1.00 0.00 C ATOM 1882 O GLU A 123 -34.774 0.944 1.710 1.00 0.00 O ATOM 1883 CB GLU A 123 -34.972 -1.815 0.228 1.00 0.00 C ATOM 1884 CG GLU A 123 -36.476 -2.032 0.211 1.00 0.00 C ATOM 1885 CD GLU A 123 -36.886 -3.330 0.880 1.00 0.00 C ATOM 1886 OE1 GLU A 123 -37.035 -3.337 2.120 1.00 0.00 O ATOM 1887 OE2 GLU A 123 -37.055 -4.340 0.164 1.00 0.00 O ATOM 0 H GLU A 123 -32.749 -0.236 0.805 1.00 0.00 H new ATOM 0 HA GLU A 123 -34.850 -0.312 -1.290 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -34.498 -2.567 -0.403 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -34.603 -1.971 1.242 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -36.965 -1.198 0.714 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -36.828 -2.033 -0.821 1.00 0.00 H new ATOM 1894 N ILE A 124 -36.283 1.230 0.067 1.00 0.00 N ATOM 1895 CA ILE A 124 -36.999 2.291 0.762 1.00 0.00 C ATOM 1896 C ILE A 124 -37.667 1.769 2.032 1.00 0.00 C ATOM 1897 O ILE A 124 -37.895 0.567 2.176 1.00 0.00 O ATOM 1898 CB ILE A 124 -38.062 2.932 -0.152 1.00 0.00 C ATOM 1899 CG1 ILE A 124 -38.571 4.241 0.454 1.00 0.00 C ATOM 1900 CG2 ILE A 124 -39.213 1.965 -0.388 1.00 0.00 C ATOM 1901 CD1 ILE A 124 -39.444 5.045 -0.484 1.00 0.00 C ATOM 0 H ILE A 124 -36.672 0.984 -0.843 1.00 0.00 H new ATOM 0 HA ILE A 124 -36.264 3.048 1.038 1.00 0.00 H new ATOM 0 HB ILE A 124 -37.601 3.157 -1.114 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -39.135 4.017 1.359 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -37.717 4.849 0.753 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -39.955 2.433 -1.035 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -38.836 1.060 -0.864 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -39.674 1.708 0.566 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -39.768 5.959 0.014 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -38.877 5.301 -1.379 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -40.317 4.455 -0.763 1.00 0.00 H new ATOM 1913 N LEU A 125 -37.975 2.680 2.953 1.00 0.00 N ATOM 1914 CA LEU A 125 -38.617 2.314 4.208 1.00 0.00 C ATOM 1915 C LEU A 125 -40.113 2.104 4.002 1.00 0.00 C ATOM 1916 O LEU A 125 -40.782 1.478 4.825 1.00 0.00 O ATOM 1917 CB LEU A 125 -38.379 3.398 5.266 1.00 0.00 C ATOM 1918 CG LEU A 125 -36.908 3.672 5.604 1.00 0.00 C ATOM 1919 CD1 LEU A 125 -36.793 4.854 6.554 1.00 0.00 C ATOM 1920 CD2 LEU A 125 -36.256 2.437 6.209 1.00 0.00 C ATOM 0 H LEU A 125 -37.789 3.678 2.851 1.00 0.00 H new ATOM 0 HA LEU A 125 -38.178 1.379 4.557 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -38.834 4.326 4.920 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -38.897 3.110 6.181 1.00 0.00 H new ATOM 0 HG LEU A 125 -36.384 3.917 4.680 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -35.743 5.035 6.784 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -37.220 5.741 6.085 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -37.333 4.635 7.475 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -35.213 2.653 6.441 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -36.781 2.159 7.123 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -36.306 1.613 5.497 1.00 0.00 H new