USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 704 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 20 LYS NZ :NH3+ -159:sc= 0 (180deg=0) USER MOD Set 1.2: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= -0.505 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00674) USER MOD Single : A 9 THR OG1 : rot -84:sc= 0.969 USER MOD Single : A 10 SER OG : rot -60:sc= 0.284 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -50:sc= 0.571 USER MOD Single : A 13 TYR OH : rot -150:sc= 0.367 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.04 K(o=-0.04,f=-0.81) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= 0.751 (180deg=0.709) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 38 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.4) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0.00883 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 150:sc= -0.0317 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 17:sc= 0.745 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 22:sc= 0.901 USER MOD Single : A 78 SER OG : rot 56:sc= 0.0582 USER MOD Single : A 85 SER OG : rot 28:sc= 0.882 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.0094) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.053 1.433 -1.895 1.00 0.00 N ATOM 2 CA ALA A 1 1.718 0.842 -0.605 1.00 0.00 C ATOM 3 C ALA A 1 2.922 0.131 0.002 1.00 0.00 C ATOM 4 O ALA A 1 2.929 -1.092 0.139 1.00 0.00 O ATOM 5 CB ALA A 1 0.552 -0.125 -0.755 1.00 0.00 C ATOM 0 H1 ALA A 1 1.216 1.911 -2.286 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.820 2.124 -1.771 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.362 0.686 -2.549 1.00 0.00 H new ATOM 0 HA ALA A 1 1.425 1.646 0.070 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.312 -0.559 0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -0.317 0.410 -1.138 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.825 -0.919 -1.450 1.00 0.00 H new ATOM 11 N GLY A 2 3.941 0.905 0.364 1.00 0.00 N ATOM 12 CA GLY A 2 5.137 0.331 0.951 1.00 0.00 C ATOM 13 C GLY A 2 6.261 1.340 1.080 1.00 0.00 C ATOM 14 O GLY A 2 6.350 2.284 0.296 1.00 0.00 O ATOM 0 H GLY A 2 3.959 1.920 0.261 1.00 0.00 H new ATOM 0 HA2 GLY A 2 4.898 -0.070 1.936 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.473 -0.506 0.339 1.00 0.00 H new ATOM 18 N SER A 3 7.121 1.141 2.074 1.00 0.00 N ATOM 19 CA SER A 3 8.242 2.044 2.307 1.00 0.00 C ATOM 20 C SER A 3 9.054 1.601 3.520 1.00 0.00 C ATOM 21 O SER A 3 8.598 1.706 4.659 1.00 0.00 O ATOM 22 CB SER A 3 7.738 3.474 2.511 1.00 0.00 C ATOM 23 OG SER A 3 6.356 3.488 2.823 1.00 0.00 O ATOM 0 H SER A 3 7.063 0.363 2.731 1.00 0.00 H new ATOM 0 HA SER A 3 8.888 2.015 1.429 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.300 3.950 3.314 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.916 4.058 1.608 1.00 0.00 H new ATOM 0 HG SER A 3 6.059 4.413 2.950 1.00 0.00 H new ATOM 29 N LYS A 4 10.260 1.105 3.268 1.00 0.00 N ATOM 30 CA LYS A 4 11.139 0.647 4.338 1.00 0.00 C ATOM 31 C LYS A 4 12.505 0.251 3.788 1.00 0.00 C ATOM 32 O LYS A 4 12.835 0.553 2.640 1.00 0.00 O ATOM 33 CB LYS A 4 10.508 -0.541 5.069 1.00 0.00 C ATOM 34 CG LYS A 4 10.662 -0.476 6.579 1.00 0.00 C ATOM 35 CD LYS A 4 10.852 -1.858 7.180 1.00 0.00 C ATOM 36 CE LYS A 4 9.519 -2.506 7.522 1.00 0.00 C ATOM 37 NZ LYS A 4 9.531 -3.117 8.880 1.00 0.00 N ATOM 0 H LYS A 4 10.652 1.010 2.331 1.00 0.00 H new ATOM 0 HA LYS A 4 11.275 1.469 5.041 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.447 -0.588 4.822 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.961 -1.463 4.705 1.00 0.00 H new ATOM 0 HG2 LYS A 4 11.516 0.152 6.832 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.781 -0.006 7.016 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.395 -2.490 6.477 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.463 -1.784 8.080 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.727 -1.759 7.467 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.287 -3.271 6.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.605 -3.548 9.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.269 -3.848 8.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.727 -2.382 9.589 1.00 0.00 H new ATOM 51 N LEU A 5 13.296 -0.426 4.613 1.00 0.00 N ATOM 52 CA LEU A 5 14.628 -0.865 4.208 1.00 0.00 C ATOM 53 C LEU A 5 14.747 -2.383 4.283 1.00 0.00 C ATOM 54 O LEU A 5 14.075 -3.031 5.086 1.00 0.00 O ATOM 55 CB LEU A 5 15.692 -0.214 5.094 1.00 0.00 C ATOM 56 CG LEU A 5 16.642 0.759 4.396 1.00 0.00 C ATOM 57 CD1 LEU A 5 16.025 2.147 4.319 1.00 0.00 C ATOM 58 CD2 LEU A 5 17.980 0.808 5.119 1.00 0.00 C ATOM 0 H LEU A 5 13.039 -0.683 5.566 1.00 0.00 H new ATOM 0 HA LEU A 5 14.787 -0.557 3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 5 15.188 0.317 5.901 1.00 0.00 H new ATOM 0 HB3 LEU A 5 16.286 -1.004 5.554 1.00 0.00 H new ATOM 0 HG LEU A 5 16.813 0.404 3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.716 2.825 3.819 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.092 2.100 3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 5 15.823 2.512 5.326 1.00 0.00 H new ATOM 0 HD21 LEU A 5 18.644 1.506 4.609 1.00 0.00 H new ATOM 0 HD22 LEU A 5 17.827 1.139 6.146 1.00 0.00 H new ATOM 0 HD23 LEU A 5 18.429 -0.185 5.121 1.00 0.00 H new ATOM 70 N CYS A 6 15.607 -2.946 3.441 1.00 0.00 N ATOM 71 CA CYS A 6 15.817 -4.389 3.412 1.00 0.00 C ATOM 72 C CYS A 6 17.275 -4.732 3.703 1.00 0.00 C ATOM 73 O CYS A 6 18.185 -4.008 3.302 1.00 0.00 O ATOM 74 CB CYS A 6 15.410 -4.957 2.051 1.00 0.00 C ATOM 75 SG CYS A 6 13.609 -5.041 1.789 1.00 0.00 S ATOM 0 H CYS A 6 16.170 -2.425 2.769 1.00 0.00 H new ATOM 0 HA CYS A 6 15.195 -4.838 4.186 1.00 0.00 H new ATOM 0 HB2 CYS A 6 15.852 -4.343 1.266 1.00 0.00 H new ATOM 0 HB3 CYS A 6 15.829 -5.958 1.947 1.00 0.00 H new ATOM 80 N GLU A 7 17.487 -5.842 4.404 1.00 0.00 N ATOM 81 CA GLU A 7 18.834 -6.281 4.749 1.00 0.00 C ATOM 82 C GLU A 7 18.974 -7.792 4.581 1.00 0.00 C ATOM 83 O GLU A 7 18.086 -8.555 4.961 1.00 0.00 O ATOM 84 CB GLU A 7 19.171 -5.884 6.187 1.00 0.00 C ATOM 85 CG GLU A 7 20.290 -6.708 6.800 1.00 0.00 C ATOM 86 CD GLU A 7 19.788 -7.982 7.453 1.00 0.00 C ATOM 87 OE1 GLU A 7 19.161 -7.888 8.529 1.00 0.00 O ATOM 88 OE2 GLU A 7 20.020 -9.070 6.888 1.00 0.00 O ATOM 0 H GLU A 7 16.744 -6.453 4.744 1.00 0.00 H new ATOM 0 HA GLU A 7 19.533 -5.791 4.071 1.00 0.00 H new ATOM 0 HB2 GLU A 7 19.453 -4.831 6.208 1.00 0.00 H new ATOM 0 HB3 GLU A 7 18.277 -5.986 6.802 1.00 0.00 H new ATOM 0 HG2 GLU A 7 21.014 -6.962 6.026 1.00 0.00 H new ATOM 0 HG3 GLU A 7 20.814 -6.106 7.542 1.00 0.00 H new ATOM 95 N LYS A 8 20.095 -8.216 4.008 1.00 0.00 N ATOM 96 CA LYS A 8 20.354 -9.634 3.788 1.00 0.00 C ATOM 97 C LYS A 8 21.570 -10.095 4.586 1.00 0.00 C ATOM 98 O LYS A 8 22.455 -9.299 4.904 1.00 0.00 O ATOM 99 CB LYS A 8 20.573 -9.909 2.299 1.00 0.00 C ATOM 100 CG LYS A 8 19.456 -10.715 1.659 1.00 0.00 C ATOM 101 CD LYS A 8 18.246 -9.847 1.356 1.00 0.00 C ATOM 102 CE LYS A 8 17.289 -10.540 0.399 1.00 0.00 C ATOM 103 NZ LYS A 8 17.773 -10.482 -1.008 1.00 0.00 N ATOM 0 H LYS A 8 20.840 -7.597 3.687 1.00 0.00 H new ATOM 0 HA LYS A 8 19.484 -10.194 4.130 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.672 -8.959 1.773 1.00 0.00 H new ATOM 0 HB3 LYS A 8 21.514 -10.443 2.171 1.00 0.00 H new ATOM 0 HG2 LYS A 8 19.817 -11.172 0.738 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.165 -11.528 2.325 1.00 0.00 H new ATOM 0 HD2 LYS A 8 17.726 -9.609 2.284 1.00 0.00 H new ATOM 0 HD3 LYS A 8 18.574 -8.902 0.923 1.00 0.00 H new ATOM 0 HE2 LYS A 8 17.166 -11.581 0.698 1.00 0.00 H new ATOM 0 HE3 LYS A 8 16.307 -10.072 0.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.054 -10.890 -1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 17.947 -9.492 -1.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 18.657 -11.024 -1.094 1.00 0.00 H new ATOM 117 N THR A 9 21.609 -11.385 4.905 1.00 0.00 N ATOM 118 CA THR A 9 22.716 -11.951 5.664 1.00 0.00 C ATOM 119 C THR A 9 23.410 -13.059 4.881 1.00 0.00 C ATOM 120 O THR A 9 23.454 -14.209 5.319 1.00 0.00 O ATOM 121 CB THR A 9 22.240 -12.515 7.017 1.00 0.00 C ATOM 122 OG1 THR A 9 21.152 -11.730 7.518 1.00 0.00 O ATOM 123 CG2 THR A 9 23.375 -12.523 8.029 1.00 0.00 C ATOM 0 H THR A 9 20.886 -12.057 4.649 1.00 0.00 H new ATOM 0 HA THR A 9 23.422 -11.140 5.845 1.00 0.00 H new ATOM 0 HB THR A 9 21.906 -13.541 6.862 1.00 0.00 H new ATOM 0 HG1 THR A 9 21.504 -10.949 7.994 1.00 0.00 H new ATOM 0 HG21 THR A 9 23.015 -12.925 8.976 1.00 0.00 H new ATOM 0 HG22 THR A 9 24.190 -13.144 7.657 1.00 0.00 H new ATOM 0 HG23 THR A 9 23.735 -11.505 8.180 1.00 0.00 H new ATOM 131 N SER A 10 23.952 -12.707 3.720 1.00 0.00 N ATOM 132 CA SER A 10 24.642 -13.673 2.873 1.00 0.00 C ATOM 133 C SER A 10 23.713 -14.821 2.491 1.00 0.00 C ATOM 134 O SER A 10 23.993 -15.985 2.779 1.00 0.00 O ATOM 135 CB SER A 10 25.878 -14.220 3.590 1.00 0.00 C ATOM 136 OG SER A 10 26.445 -15.303 2.874 1.00 0.00 O ATOM 0 H SER A 10 23.927 -11.759 3.344 1.00 0.00 H new ATOM 0 HA SER A 10 24.955 -13.163 1.962 1.00 0.00 H new ATOM 0 HB2 SER A 10 26.618 -13.427 3.702 1.00 0.00 H new ATOM 0 HB3 SER A 10 25.605 -14.546 4.594 1.00 0.00 H new ATOM 0 HG SER A 10 25.785 -16.023 2.793 1.00 0.00 H new ATOM 142 N LYS A 11 22.605 -14.485 1.840 1.00 0.00 N ATOM 143 CA LYS A 11 21.633 -15.485 1.415 1.00 0.00 C ATOM 144 C LYS A 11 21.988 -16.040 0.040 1.00 0.00 C ATOM 145 O LYS A 11 21.236 -16.824 -0.539 1.00 0.00 O ATOM 146 CB LYS A 11 20.227 -14.880 1.385 1.00 0.00 C ATOM 147 CG LYS A 11 19.353 -15.312 2.549 1.00 0.00 C ATOM 148 CD LYS A 11 19.610 -14.465 3.784 1.00 0.00 C ATOM 149 CE LYS A 11 18.442 -13.534 4.073 1.00 0.00 C ATOM 150 NZ LYS A 11 17.680 -13.958 5.280 1.00 0.00 N ATOM 0 H LYS A 11 22.357 -13.526 1.595 1.00 0.00 H new ATOM 0 HA LYS A 11 21.655 -16.304 2.134 1.00 0.00 H new ATOM 0 HB2 LYS A 11 20.308 -13.793 1.387 1.00 0.00 H new ATOM 0 HB3 LYS A 11 19.739 -15.162 0.452 1.00 0.00 H new ATOM 0 HG2 LYS A 11 18.303 -15.234 2.265 1.00 0.00 H new ATOM 0 HG3 LYS A 11 19.544 -16.360 2.779 1.00 0.00 H new ATOM 0 HD2 LYS A 11 19.781 -15.114 4.643 1.00 0.00 H new ATOM 0 HD3 LYS A 11 20.518 -13.879 3.642 1.00 0.00 H new ATOM 0 HE2 LYS A 11 18.813 -12.519 4.216 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.774 -13.511 3.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.893 -13.298 5.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 17.304 -14.917 5.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 18.310 -13.956 6.107 1.00 0.00 H new ATOM 164 N THR A 12 23.142 -15.629 -0.479 1.00 0.00 N ATOM 165 CA THR A 12 23.597 -16.086 -1.786 1.00 0.00 C ATOM 166 C THR A 12 24.992 -15.555 -2.099 1.00 0.00 C ATOM 167 O THR A 12 25.328 -15.311 -3.257 1.00 0.00 O ATOM 168 CB THR A 12 22.631 -15.646 -2.903 1.00 0.00 C ATOM 169 OG1 THR A 12 22.949 -16.327 -4.122 1.00 0.00 O ATOM 170 CG2 THR A 12 22.705 -14.142 -3.121 1.00 0.00 C ATOM 0 H THR A 12 23.778 -14.981 -0.014 1.00 0.00 H new ATOM 0 HA THR A 12 23.625 -17.175 -1.748 1.00 0.00 H new ATOM 0 HB THR A 12 21.617 -15.903 -2.598 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.908 -16.241 -4.304 1.00 0.00 H new ATOM 0 HG21 THR A 12 22.015 -13.855 -3.914 1.00 0.00 H new ATOM 0 HG22 THR A 12 22.434 -13.627 -2.199 1.00 0.00 H new ATOM 0 HG23 THR A 12 23.720 -13.865 -3.406 1.00 0.00 H new ATOM 178 N TYR A 13 25.799 -15.379 -1.059 1.00 0.00 N ATOM 179 CA TYR A 13 27.158 -14.876 -1.222 1.00 0.00 C ATOM 180 C TYR A 13 28.126 -16.013 -1.532 1.00 0.00 C ATOM 181 O TYR A 13 28.614 -16.139 -2.655 1.00 0.00 O ATOM 182 CB TYR A 13 27.606 -14.138 0.041 1.00 0.00 C ATOM 183 CG TYR A 13 29.066 -13.744 0.025 1.00 0.00 C ATOM 184 CD1 TYR A 13 29.485 -12.579 -0.605 1.00 0.00 C ATOM 185 CD2 TYR A 13 30.026 -14.537 0.642 1.00 0.00 C ATOM 186 CE1 TYR A 13 30.818 -12.216 -0.621 1.00 0.00 C ATOM 187 CE2 TYR A 13 31.361 -14.181 0.632 1.00 0.00 C ATOM 188 CZ TYR A 13 31.752 -13.020 -0.002 1.00 0.00 C ATOM 189 OH TYR A 13 33.080 -12.661 -0.015 1.00 0.00 O ATOM 0 H TYR A 13 25.536 -15.577 -0.094 1.00 0.00 H new ATOM 0 HA TYR A 13 27.163 -14.181 -2.061 1.00 0.00 H new ATOM 0 HB2 TYR A 13 26.998 -13.242 0.163 1.00 0.00 H new ATOM 0 HB3 TYR A 13 27.419 -14.772 0.908 1.00 0.00 H new ATOM 0 HD1 TYR A 13 28.757 -11.946 -1.090 1.00 0.00 H new ATOM 0 HD2 TYR A 13 29.723 -15.447 1.138 1.00 0.00 H new ATOM 0 HE1 TYR A 13 31.127 -11.307 -1.116 1.00 0.00 H new ATOM 0 HE2 TYR A 13 32.094 -14.808 1.118 1.00 0.00 H new ATOM 0 HH TYR A 13 33.637 -13.467 0.007 1.00 0.00 H new ATOM 199 N SER A 14 28.400 -16.839 -0.527 1.00 0.00 N ATOM 200 CA SER A 14 29.313 -17.964 -0.689 1.00 0.00 C ATOM 201 C SER A 14 30.713 -17.480 -1.053 1.00 0.00 C ATOM 202 O SER A 14 30.901 -16.330 -1.449 1.00 0.00 O ATOM 203 CB SER A 14 28.794 -18.917 -1.768 1.00 0.00 C ATOM 204 OG SER A 14 28.974 -20.269 -1.384 1.00 0.00 O ATOM 0 H SER A 14 28.002 -16.750 0.408 1.00 0.00 H new ATOM 0 HA SER A 14 29.367 -18.496 0.261 1.00 0.00 H new ATOM 0 HB2 SER A 14 27.736 -18.725 -1.949 1.00 0.00 H new ATOM 0 HB3 SER A 14 29.317 -18.729 -2.706 1.00 0.00 H new ATOM 0 HG SER A 14 28.633 -20.858 -2.089 1.00 0.00 H new ATOM 210 N GLY A 15 31.694 -18.368 -0.916 1.00 0.00 N ATOM 211 CA GLY A 15 33.065 -18.013 -1.234 1.00 0.00 C ATOM 212 C GLY A 15 33.759 -17.301 -0.090 1.00 0.00 C ATOM 213 O GLY A 15 33.112 -16.847 0.854 1.00 0.00 O ATOM 0 H GLY A 15 31.564 -19.326 -0.591 1.00 0.00 H new ATOM 0 HA2 GLY A 15 33.621 -18.915 -1.487 1.00 0.00 H new ATOM 0 HA3 GLY A 15 33.076 -17.373 -2.116 1.00 0.00 H new ATOM 217 N LYS A 16 35.082 -17.204 -0.171 1.00 0.00 N ATOM 218 CA LYS A 16 35.867 -16.543 0.865 1.00 0.00 C ATOM 219 C LYS A 16 35.349 -15.132 1.121 1.00 0.00 C ATOM 220 O LYS A 16 35.233 -14.325 0.199 1.00 0.00 O ATOM 221 CB LYS A 16 37.342 -16.492 0.461 1.00 0.00 C ATOM 222 CG LYS A 16 37.596 -15.710 -0.816 1.00 0.00 C ATOM 223 CD LYS A 16 38.679 -16.360 -1.662 1.00 0.00 C ATOM 224 CE LYS A 16 39.763 -15.363 -2.040 1.00 0.00 C ATOM 225 NZ LYS A 16 40.512 -15.792 -3.254 1.00 0.00 N ATOM 0 H LYS A 16 35.634 -17.575 -0.945 1.00 0.00 H new ATOM 0 HA LYS A 16 35.769 -17.119 1.785 1.00 0.00 H new ATOM 0 HB2 LYS A 16 37.917 -16.044 1.272 1.00 0.00 H new ATOM 0 HB3 LYS A 16 37.710 -17.510 0.333 1.00 0.00 H new ATOM 0 HG2 LYS A 16 36.673 -15.644 -1.393 1.00 0.00 H new ATOM 0 HG3 LYS A 16 37.890 -14.690 -0.567 1.00 0.00 H new ATOM 0 HD2 LYS A 16 39.122 -17.190 -1.112 1.00 0.00 H new ATOM 0 HD3 LYS A 16 38.235 -16.777 -2.566 1.00 0.00 H new ATOM 0 HE2 LYS A 16 39.312 -14.386 -2.217 1.00 0.00 H new ATOM 0 HE3 LYS A 16 40.457 -15.247 -1.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 41.242 -15.086 -3.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 40.963 -16.712 -3.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 39.855 -15.878 -4.055 1.00 0.00 H new ATOM 239 N CYS A 17 35.041 -14.839 2.380 1.00 0.00 N ATOM 240 CA CYS A 17 34.537 -13.525 2.759 1.00 0.00 C ATOM 241 C CYS A 17 35.625 -12.464 2.618 1.00 0.00 C ATOM 242 O CYS A 17 36.815 -12.778 2.600 1.00 0.00 O ATOM 243 CB CYS A 17 34.017 -13.550 4.198 1.00 0.00 C ATOM 244 SG CYS A 17 32.862 -12.199 4.595 1.00 0.00 S ATOM 0 H CYS A 17 35.132 -15.495 3.156 1.00 0.00 H new ATOM 0 HA CYS A 17 33.717 -13.271 2.088 1.00 0.00 H new ATOM 0 HB2 CYS A 17 33.519 -14.503 4.377 1.00 0.00 H new ATOM 0 HB3 CYS A 17 34.865 -13.501 4.880 1.00 0.00 H new ATOM 249 N ASP A 18 35.208 -11.206 2.519 1.00 0.00 N ATOM 250 CA ASP A 18 36.145 -10.098 2.381 1.00 0.00 C ATOM 251 C ASP A 18 35.440 -8.761 2.586 1.00 0.00 C ATOM 252 O ASP A 18 34.292 -8.715 3.025 1.00 0.00 O ATOM 253 CB ASP A 18 36.810 -10.133 1.004 1.00 0.00 C ATOM 254 CG ASP A 18 38.323 -10.109 1.090 1.00 0.00 C ATOM 255 OD1 ASP A 18 38.919 -11.172 1.365 1.00 0.00 O ATOM 256 OD2 ASP A 18 38.912 -9.028 0.881 1.00 0.00 O ATOM 0 H ASP A 18 34.226 -10.929 2.532 1.00 0.00 H new ATOM 0 HA ASP A 18 36.911 -10.205 3.149 1.00 0.00 H new ATOM 0 HB2 ASP A 18 36.494 -11.031 0.474 1.00 0.00 H new ATOM 0 HB3 ASP A 18 36.469 -9.280 0.417 1.00 0.00 H new ATOM 261 N ASN A 19 36.137 -7.675 2.266 1.00 0.00 N ATOM 262 CA ASN A 19 35.578 -6.337 2.417 1.00 0.00 C ATOM 263 C ASN A 19 34.872 -5.895 1.139 1.00 0.00 C ATOM 264 O ASN A 19 33.645 -5.800 1.095 1.00 0.00 O ATOM 265 CB ASN A 19 36.681 -5.338 2.775 1.00 0.00 C ATOM 266 CG ASN A 19 37.077 -5.413 4.237 1.00 0.00 C ATOM 267 OD1 ASN A 19 36.228 -5.581 5.113 1.00 0.00 O ATOM 268 ND2 ASN A 19 38.371 -5.288 4.507 1.00 0.00 N ATOM 0 H ASN A 19 37.089 -7.696 1.901 1.00 0.00 H new ATOM 0 HA ASN A 19 34.846 -6.365 3.224 1.00 0.00 H new ATOM 0 HB2 ASN A 19 37.556 -5.529 2.154 1.00 0.00 H new ATOM 0 HB3 ASN A 19 36.341 -4.328 2.545 1.00 0.00 H new ATOM 0 HD21 ASN A 19 38.697 -5.330 5.473 1.00 0.00 H new ATOM 0 HD22 ASN A 19 39.039 -5.150 3.749 1.00 0.00 H new ATOM 275 N LYS A 20 35.655 -5.625 0.100 1.00 0.00 N ATOM 276 CA LYS A 20 35.106 -5.195 -1.181 1.00 0.00 C ATOM 277 C LYS A 20 34.329 -6.326 -1.847 1.00 0.00 C ATOM 278 O LYS A 20 33.341 -6.088 -2.543 1.00 0.00 O ATOM 279 CB LYS A 20 36.229 -4.720 -2.106 1.00 0.00 C ATOM 280 CG LYS A 20 35.777 -3.700 -3.137 1.00 0.00 C ATOM 281 CD LYS A 20 35.808 -4.277 -4.543 1.00 0.00 C ATOM 282 CE LYS A 20 36.996 -3.751 -5.334 1.00 0.00 C ATOM 283 NZ LYS A 20 38.148 -4.694 -5.297 1.00 0.00 N ATOM 0 H LYS A 20 36.672 -5.696 0.120 1.00 0.00 H new ATOM 0 HA LYS A 20 34.421 -4.367 -0.996 1.00 0.00 H new ATOM 0 HB2 LYS A 20 37.026 -4.286 -1.503 1.00 0.00 H new ATOM 0 HB3 LYS A 20 36.653 -5.582 -2.621 1.00 0.00 H new ATOM 0 HG2 LYS A 20 34.766 -3.367 -2.902 1.00 0.00 H new ATOM 0 HG3 LYS A 20 36.421 -2.822 -3.089 1.00 0.00 H new ATOM 0 HD2 LYS A 20 35.857 -5.365 -4.490 1.00 0.00 H new ATOM 0 HD3 LYS A 20 34.883 -4.024 -5.062 1.00 0.00 H new ATOM 0 HE2 LYS A 20 36.698 -3.583 -6.369 1.00 0.00 H new ATOM 0 HE3 LYS A 20 37.303 -2.786 -4.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 39.024 -4.181 -5.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 38.225 -5.111 -4.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 38.001 -5.450 -5.996 1.00 0.00 H new ATOM 297 N LYS A 21 34.779 -7.556 -1.629 1.00 0.00 N ATOM 298 CA LYS A 21 34.124 -8.725 -2.205 1.00 0.00 C ATOM 299 C LYS A 21 32.691 -8.851 -1.698 1.00 0.00 C ATOM 300 O LYS A 21 31.773 -9.141 -2.466 1.00 0.00 O ATOM 301 CB LYS A 21 34.910 -9.994 -1.866 1.00 0.00 C ATOM 302 CG LYS A 21 36.327 -9.996 -2.412 1.00 0.00 C ATOM 303 CD LYS A 21 36.341 -9.906 -3.929 1.00 0.00 C ATOM 304 CE LYS A 21 36.599 -8.483 -4.401 1.00 0.00 C ATOM 305 NZ LYS A 21 37.777 -8.405 -5.308 1.00 0.00 N ATOM 0 H LYS A 21 35.596 -7.770 -1.057 1.00 0.00 H new ATOM 0 HA LYS A 21 34.098 -8.599 -3.287 1.00 0.00 H new ATOM 0 HB2 LYS A 21 34.947 -10.110 -0.783 1.00 0.00 H new ATOM 0 HB3 LYS A 21 34.376 -10.858 -2.261 1.00 0.00 H new ATOM 0 HG2 LYS A 21 36.881 -9.156 -1.992 1.00 0.00 H new ATOM 0 HG3 LYS A 21 36.838 -10.905 -2.096 1.00 0.00 H new ATOM 0 HD2 LYS A 21 37.111 -10.567 -4.327 1.00 0.00 H new ATOM 0 HD3 LYS A 21 35.387 -10.254 -4.324 1.00 0.00 H new ATOM 0 HE2 LYS A 21 35.717 -8.106 -4.918 1.00 0.00 H new ATOM 0 HE3 LYS A 21 36.762 -7.838 -3.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 37.920 -7.419 -5.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 38.624 -8.741 -4.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 37.611 -9.001 -6.144 1.00 0.00 H new ATOM 319 N CYS A 22 32.506 -8.630 -0.401 1.00 0.00 N ATOM 320 CA CYS A 22 31.184 -8.718 0.209 1.00 0.00 C ATOM 321 C CYS A 22 30.238 -7.683 -0.393 1.00 0.00 C ATOM 322 O CYS A 22 29.153 -8.021 -0.868 1.00 0.00 O ATOM 323 CB CYS A 22 31.284 -8.514 1.722 1.00 0.00 C ATOM 324 SG CYS A 22 30.724 -9.944 2.703 1.00 0.00 S ATOM 0 H CYS A 22 33.255 -8.389 0.248 1.00 0.00 H new ATOM 0 HA CYS A 22 30.783 -9.712 0.008 1.00 0.00 H new ATOM 0 HB2 CYS A 22 32.319 -8.293 1.980 1.00 0.00 H new ATOM 0 HB3 CYS A 22 30.692 -7.642 2.000 1.00 0.00 H new ATOM 329 N ASP A 23 30.656 -6.423 -0.370 1.00 0.00 N ATOM 330 CA ASP A 23 29.847 -5.338 -0.915 1.00 0.00 C ATOM 331 C ASP A 23 29.500 -5.601 -2.377 1.00 0.00 C ATOM 332 O ASP A 23 28.328 -5.618 -2.755 1.00 0.00 O ATOM 333 CB ASP A 23 30.587 -4.006 -0.785 1.00 0.00 C ATOM 334 CG ASP A 23 29.704 -2.819 -1.114 1.00 0.00 C ATOM 335 OD1 ASP A 23 28.575 -2.753 -0.583 1.00 0.00 O ATOM 336 OD2 ASP A 23 30.141 -1.955 -1.901 1.00 0.00 O ATOM 0 H ASP A 23 31.551 -6.127 0.020 1.00 0.00 H new ATOM 0 HA ASP A 23 28.920 -5.286 -0.344 1.00 0.00 H new ATOM 0 HB2 ASP A 23 30.966 -3.902 0.232 1.00 0.00 H new ATOM 0 HB3 ASP A 23 31.451 -4.007 -1.449 1.00 0.00 H new ATOM 341 N LYS A 24 30.526 -5.804 -3.196 1.00 0.00 N ATOM 342 CA LYS A 24 30.331 -6.066 -4.617 1.00 0.00 C ATOM 343 C LYS A 24 29.430 -7.279 -4.828 1.00 0.00 C ATOM 344 O LYS A 24 28.467 -7.224 -5.593 1.00 0.00 O ATOM 345 CB LYS A 24 31.680 -6.294 -5.304 1.00 0.00 C ATOM 346 CG LYS A 24 31.558 -6.707 -6.761 1.00 0.00 C ATOM 347 CD LYS A 24 32.921 -6.944 -7.389 1.00 0.00 C ATOM 348 CE LYS A 24 32.907 -8.155 -8.310 1.00 0.00 C ATOM 349 NZ LYS A 24 34.261 -8.758 -8.454 1.00 0.00 N ATOM 0 H LYS A 24 31.502 -5.792 -2.900 1.00 0.00 H new ATOM 0 HA LYS A 24 29.847 -5.195 -5.059 1.00 0.00 H new ATOM 0 HB2 LYS A 24 32.269 -5.379 -5.242 1.00 0.00 H new ATOM 0 HB3 LYS A 24 32.229 -7.064 -4.762 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.960 -7.615 -6.834 1.00 0.00 H new ATOM 0 HG3 LYS A 24 31.030 -5.932 -7.317 1.00 0.00 H new ATOM 0 HD2 LYS A 24 33.222 -6.061 -7.952 1.00 0.00 H new ATOM 0 HD3 LYS A 24 33.664 -7.090 -6.605 1.00 0.00 H new ATOM 0 HE2 LYS A 24 32.217 -8.902 -7.918 1.00 0.00 H new ATOM 0 HE3 LYS A 24 32.534 -7.861 -9.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 34.209 -9.580 -9.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 34.914 -8.054 -8.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 34.607 -9.062 -7.521 1.00 0.00 H new ATOM 363 N LYS A 25 29.748 -8.373 -4.145 1.00 0.00 N ATOM 364 CA LYS A 25 28.966 -9.598 -4.255 1.00 0.00 C ATOM 365 C LYS A 25 27.535 -9.375 -3.777 1.00 0.00 C ATOM 366 O LYS A 25 26.622 -10.111 -4.154 1.00 0.00 O ATOM 367 CB LYS A 25 29.618 -10.718 -3.441 1.00 0.00 C ATOM 368 CG LYS A 25 29.043 -12.094 -3.730 1.00 0.00 C ATOM 369 CD LYS A 25 30.117 -13.168 -3.685 1.00 0.00 C ATOM 370 CE LYS A 25 30.166 -13.962 -4.981 1.00 0.00 C ATOM 371 NZ LYS A 25 30.538 -15.385 -4.747 1.00 0.00 N ATOM 0 H LYS A 25 30.543 -8.436 -3.509 1.00 0.00 H new ATOM 0 HA LYS A 25 28.938 -9.889 -5.305 1.00 0.00 H new ATOM 0 HB2 LYS A 25 30.688 -10.730 -3.647 1.00 0.00 H new ATOM 0 HB3 LYS A 25 29.501 -10.500 -2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 25 28.266 -12.325 -3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 25 28.570 -12.093 -4.712 1.00 0.00 H new ATOM 0 HD2 LYS A 25 31.087 -12.706 -3.503 1.00 0.00 H new ATOM 0 HD3 LYS A 25 29.924 -13.843 -2.851 1.00 0.00 H new ATOM 0 HE2 LYS A 25 29.194 -13.917 -5.471 1.00 0.00 H new ATOM 0 HE3 LYS A 25 30.887 -13.505 -5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 30.445 -15.919 -5.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 31.522 -15.436 -4.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 29.907 -15.795 -4.029 1.00 0.00 H new ATOM 385 N CYS A 26 27.345 -8.355 -2.947 1.00 0.00 N ATOM 386 CA CYS A 26 26.025 -8.034 -2.419 1.00 0.00 C ATOM 387 C CYS A 26 25.198 -7.270 -3.449 1.00 0.00 C ATOM 388 O CYS A 26 24.016 -7.554 -3.645 1.00 0.00 O ATOM 389 CB CYS A 26 26.152 -7.209 -1.137 1.00 0.00 C ATOM 390 SG CYS A 26 26.336 -8.207 0.375 1.00 0.00 S ATOM 0 H CYS A 26 28.089 -7.736 -2.625 1.00 0.00 H new ATOM 0 HA CYS A 26 25.515 -8.970 -2.191 1.00 0.00 H new ATOM 0 HB2 CYS A 26 27.012 -6.546 -1.228 1.00 0.00 H new ATOM 0 HB3 CYS A 26 25.270 -6.576 -1.036 1.00 0.00 H new ATOM 395 N ILE A 27 25.828 -6.301 -4.104 1.00 0.00 N ATOM 396 CA ILE A 27 25.151 -5.497 -5.114 1.00 0.00 C ATOM 397 C ILE A 27 25.081 -6.235 -6.447 1.00 0.00 C ATOM 398 O ILE A 27 24.266 -5.904 -7.308 1.00 0.00 O ATOM 399 CB ILE A 27 25.858 -4.146 -5.325 1.00 0.00 C ATOM 400 CG1 ILE A 27 26.147 -3.481 -3.978 1.00 0.00 C ATOM 401 CG2 ILE A 27 25.010 -3.235 -6.200 1.00 0.00 C ATOM 402 CD1 ILE A 27 27.604 -3.124 -3.780 1.00 0.00 C ATOM 0 H ILE A 27 26.806 -6.054 -3.954 1.00 0.00 H new ATOM 0 HA ILE A 27 24.141 -5.315 -4.748 1.00 0.00 H new ATOM 0 HB ILE A 27 26.806 -4.325 -5.832 1.00 0.00 H new ATOM 0 HG12 ILE A 27 25.545 -2.577 -3.892 1.00 0.00 H new ATOM 0 HG13 ILE A 27 25.833 -4.150 -3.177 1.00 0.00 H new ATOM 0 HG21 ILE A 27 25.523 -2.284 -6.340 1.00 0.00 H new ATOM 0 HG22 ILE A 27 24.850 -3.707 -7.169 1.00 0.00 H new ATOM 0 HG23 ILE A 27 24.048 -3.061 -5.718 1.00 0.00 H new ATOM 0 HD11 ILE A 27 27.735 -2.657 -2.804 1.00 0.00 H new ATOM 0 HD12 ILE A 27 28.211 -4.028 -3.834 1.00 0.00 H new ATOM 0 HD13 ILE A 27 27.918 -2.430 -4.560 1.00 0.00 H new ATOM 414 N GLU A 28 25.939 -7.237 -6.608 1.00 0.00 N ATOM 415 CA GLU A 28 25.974 -8.023 -7.837 1.00 0.00 C ATOM 416 C GLU A 28 24.974 -9.174 -7.774 1.00 0.00 C ATOM 417 O GLU A 28 24.348 -9.521 -8.775 1.00 0.00 O ATOM 418 CB GLU A 28 27.382 -8.568 -8.080 1.00 0.00 C ATOM 419 CG GLU A 28 28.328 -7.554 -8.703 1.00 0.00 C ATOM 420 CD GLU A 28 29.038 -8.095 -9.929 1.00 0.00 C ATOM 421 OE1 GLU A 28 29.691 -9.154 -9.818 1.00 0.00 O ATOM 422 OE2 GLU A 28 28.940 -7.459 -10.999 1.00 0.00 O ATOM 0 H GLU A 28 26.619 -7.524 -5.904 1.00 0.00 H new ATOM 0 HA GLU A 28 25.698 -7.370 -8.665 1.00 0.00 H new ATOM 0 HB2 GLU A 28 27.800 -8.908 -7.132 1.00 0.00 H new ATOM 0 HB3 GLU A 28 27.318 -9.440 -8.731 1.00 0.00 H new ATOM 0 HG2 GLU A 28 27.767 -6.660 -8.977 1.00 0.00 H new ATOM 0 HG3 GLU A 28 29.069 -7.251 -7.963 1.00 0.00 H new ATOM 429 N TRP A 29 24.832 -9.762 -6.592 1.00 0.00 N ATOM 430 CA TRP A 29 23.910 -10.876 -6.398 1.00 0.00 C ATOM 431 C TRP A 29 22.635 -10.411 -5.704 1.00 0.00 C ATOM 432 O TRP A 29 21.529 -10.723 -6.145 1.00 0.00 O ATOM 433 CB TRP A 29 24.578 -11.981 -5.578 1.00 0.00 C ATOM 434 CG TRP A 29 25.705 -12.657 -6.299 1.00 0.00 C ATOM 435 CD1 TRP A 29 26.775 -12.053 -6.895 1.00 0.00 C ATOM 436 CD2 TRP A 29 25.871 -14.064 -6.502 1.00 0.00 C ATOM 437 NE1 TRP A 29 27.597 -13.001 -7.456 1.00 0.00 N ATOM 438 CE2 TRP A 29 27.065 -14.243 -7.227 1.00 0.00 C ATOM 439 CE3 TRP A 29 25.129 -15.191 -6.138 1.00 0.00 C ATOM 440 CZ2 TRP A 29 27.531 -15.502 -7.596 1.00 0.00 C ATOM 441 CZ3 TRP A 29 25.593 -16.440 -6.506 1.00 0.00 C ATOM 442 CH2 TRP A 29 26.784 -16.588 -7.228 1.00 0.00 C ATOM 0 H TRP A 29 25.343 -9.486 -5.753 1.00 0.00 H new ATOM 0 HA TRP A 29 23.645 -11.271 -7.379 1.00 0.00 H new ATOM 0 HB2 TRP A 29 24.954 -11.556 -4.648 1.00 0.00 H new ATOM 0 HB3 TRP A 29 23.830 -12.726 -5.308 1.00 0.00 H new ATOM 0 HD1 TRP A 29 26.950 -10.988 -6.922 1.00 0.00 H new ATOM 0 HE1 TRP A 29 28.463 -12.811 -7.961 1.00 0.00 H new ATOM 0 HE3 TRP A 29 24.210 -15.088 -5.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 28.449 -15.617 -8.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 25.027 -17.318 -6.232 1.00 0.00 H new ATOM 0 HH2 TRP A 29 27.119 -17.578 -7.500 1.00 0.00 H new ATOM 453 N GLU A 30 22.796 -9.664 -4.616 1.00 0.00 N ATOM 454 CA GLU A 30 21.655 -9.158 -3.862 1.00 0.00 C ATOM 455 C GLU A 30 21.277 -7.754 -4.324 1.00 0.00 C ATOM 456 O GLU A 30 20.302 -7.172 -3.848 1.00 0.00 O ATOM 457 CB GLU A 30 21.970 -9.146 -2.364 1.00 0.00 C ATOM 458 CG GLU A 30 22.830 -10.316 -1.914 1.00 0.00 C ATOM 459 CD GLU A 30 23.074 -10.318 -0.418 1.00 0.00 C ATOM 460 OE1 GLU A 30 22.565 -9.407 0.269 1.00 0.00 O ATOM 461 OE2 GLU A 30 23.774 -11.231 0.067 1.00 0.00 O ATOM 0 H GLU A 30 23.704 -9.396 -4.237 1.00 0.00 H new ATOM 0 HA GLU A 30 20.809 -9.822 -4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 30 22.479 -8.215 -2.116 1.00 0.00 H new ATOM 0 HB3 GLU A 30 21.035 -9.157 -1.804 1.00 0.00 H new ATOM 0 HG2 GLU A 30 22.346 -11.250 -2.201 1.00 0.00 H new ATOM 0 HG3 GLU A 30 23.787 -10.280 -2.435 1.00 0.00 H new ATOM 468 N LYS A 31 22.057 -7.213 -5.254 1.00 0.00 N ATOM 469 CA LYS A 31 21.806 -5.878 -5.783 1.00 0.00 C ATOM 470 C LYS A 31 21.479 -4.900 -4.659 1.00 0.00 C ATOM 471 O LYS A 31 20.631 -4.023 -4.814 1.00 0.00 O ATOM 472 CB LYS A 31 20.656 -5.915 -6.792 1.00 0.00 C ATOM 473 CG LYS A 31 20.928 -6.803 -7.993 1.00 0.00 C ATOM 474 CD LYS A 31 21.914 -6.157 -8.952 1.00 0.00 C ATOM 475 CE LYS A 31 22.847 -7.187 -9.570 1.00 0.00 C ATOM 476 NZ LYS A 31 22.769 -7.186 -11.057 1.00 0.00 N ATOM 0 H LYS A 31 22.869 -7.680 -5.657 1.00 0.00 H new ATOM 0 HA LYS A 31 22.711 -5.537 -6.285 1.00 0.00 H new ATOM 0 HB2 LYS A 31 19.754 -6.264 -6.289 1.00 0.00 H new ATOM 0 HB3 LYS A 31 20.455 -4.901 -7.139 1.00 0.00 H new ATOM 0 HG2 LYS A 31 21.322 -7.762 -7.656 1.00 0.00 H new ATOM 0 HG3 LYS A 31 19.993 -7.008 -8.514 1.00 0.00 H new ATOM 0 HD2 LYS A 31 21.369 -5.638 -9.741 1.00 0.00 H new ATOM 0 HD3 LYS A 31 22.500 -5.406 -8.422 1.00 0.00 H new ATOM 0 HE2 LYS A 31 23.871 -6.981 -9.260 1.00 0.00 H new ATOM 0 HE3 LYS A 31 22.594 -8.178 -9.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 23.420 -7.902 -11.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 21.797 -7.408 -11.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 23.036 -6.248 -11.418 1.00 0.00 H new ATOM 490 N ALA A 32 22.159 -5.058 -3.527 1.00 0.00 N ATOM 491 CA ALA A 32 21.943 -4.187 -2.379 1.00 0.00 C ATOM 492 C ALA A 32 22.639 -2.843 -2.570 1.00 0.00 C ATOM 493 O ALA A 32 23.073 -2.511 -3.673 1.00 0.00 O ATOM 494 CB ALA A 32 22.432 -4.861 -1.106 1.00 0.00 C ATOM 0 H ALA A 32 22.864 -5.781 -3.381 1.00 0.00 H new ATOM 0 HA ALA A 32 20.872 -4.002 -2.291 1.00 0.00 H new ATOM 0 HB1 ALA A 32 22.264 -4.199 -0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 32 21.885 -5.792 -0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 32 23.497 -5.076 -1.194 1.00 0.00 H new ATOM 500 N GLN A 33 22.740 -2.076 -1.490 1.00 0.00 N ATOM 501 CA GLN A 33 23.383 -0.768 -1.540 1.00 0.00 C ATOM 502 C GLN A 33 24.720 -0.790 -0.808 1.00 0.00 C ATOM 503 O GLN A 33 25.677 -0.134 -1.222 1.00 0.00 O ATOM 504 CB GLN A 33 22.470 0.296 -0.928 1.00 0.00 C ATOM 505 CG GLN A 33 22.326 1.542 -1.788 1.00 0.00 C ATOM 506 CD GLN A 33 22.594 2.818 -1.015 1.00 0.00 C ATOM 507 OE1 GLN A 33 21.676 3.436 -0.476 1.00 0.00 O ATOM 508 NE2 GLN A 33 23.859 3.221 -0.957 1.00 0.00 N ATOM 0 H GLN A 33 22.385 -2.337 -0.570 1.00 0.00 H new ATOM 0 HA GLN A 33 23.567 -0.521 -2.586 1.00 0.00 H new ATOM 0 HB2 GLN A 33 21.483 -0.136 -0.761 1.00 0.00 H new ATOM 0 HB3 GLN A 33 22.862 0.582 0.048 1.00 0.00 H new ATOM 0 HG2 GLN A 33 23.016 1.480 -2.630 1.00 0.00 H new ATOM 0 HG3 GLN A 33 21.319 1.578 -2.203 1.00 0.00 H new ATOM 0 HE21 GLN A 33 24.589 2.678 -1.418 1.00 0.00 H new ATOM 0 HE22 GLN A 33 24.100 4.073 -0.451 1.00 0.00 H new ATOM 517 N HIS A 34 24.780 -1.547 0.282 1.00 0.00 N ATOM 518 CA HIS A 34 26.002 -1.655 1.072 1.00 0.00 C ATOM 519 C HIS A 34 26.197 -3.081 1.579 1.00 0.00 C ATOM 520 O HIS A 34 25.233 -3.823 1.760 1.00 0.00 O ATOM 521 CB HIS A 34 25.958 -0.683 2.252 1.00 0.00 C ATOM 522 CG HIS A 34 27.016 0.375 2.196 1.00 0.00 C ATOM 523 ND1 HIS A 34 28.366 0.093 2.238 1.00 0.00 N ATOM 524 CD2 HIS A 34 26.918 1.721 2.100 1.00 0.00 C ATOM 525 CE1 HIS A 34 29.051 1.220 2.171 1.00 0.00 C ATOM 526 NE2 HIS A 34 28.196 2.223 2.087 1.00 0.00 N ATOM 0 H HIS A 34 23.997 -2.095 0.639 1.00 0.00 H new ATOM 0 HA HIS A 34 26.845 -1.398 0.430 1.00 0.00 H new ATOM 0 HB2 HIS A 34 24.979 -0.205 2.282 1.00 0.00 H new ATOM 0 HB3 HIS A 34 26.067 -1.245 3.179 1.00 0.00 H new ATOM 0 HD2 HIS A 34 26.004 2.294 2.044 1.00 0.00 H new ATOM 0 HE1 HIS A 34 30.127 1.307 2.183 1.00 0.00 H new ATOM 0 HE2 HIS A 34 28.445 3.210 2.023 1.00 0.00 H new ATOM 534 N GLY A 35 27.453 -3.456 1.806 1.00 0.00 N ATOM 535 CA GLY A 35 27.752 -4.792 2.288 1.00 0.00 C ATOM 536 C GLY A 35 28.699 -4.782 3.472 1.00 0.00 C ATOM 537 O GLY A 35 29.311 -3.759 3.777 1.00 0.00 O ATOM 0 H GLY A 35 28.268 -2.859 1.665 1.00 0.00 H new ATOM 0 HA2 GLY A 35 26.824 -5.288 2.573 1.00 0.00 H new ATOM 0 HA3 GLY A 35 28.191 -5.377 1.480 1.00 0.00 H new ATOM 541 N ALA A 36 28.819 -5.924 4.141 1.00 0.00 N ATOM 542 CA ALA A 36 29.698 -6.043 5.298 1.00 0.00 C ATOM 543 C ALA A 36 30.105 -7.494 5.531 1.00 0.00 C ATOM 544 O ALA A 36 29.436 -8.419 5.069 1.00 0.00 O ATOM 545 CB ALA A 36 29.020 -5.476 6.537 1.00 0.00 C ATOM 0 H ALA A 36 28.319 -6.780 3.902 1.00 0.00 H new ATOM 0 HA ALA A 36 30.602 -5.468 5.098 1.00 0.00 H new ATOM 0 HB1 ALA A 36 29.688 -5.572 7.393 1.00 0.00 H new ATOM 0 HB2 ALA A 36 28.786 -4.424 6.375 1.00 0.00 H new ATOM 0 HB3 ALA A 36 28.099 -6.026 6.732 1.00 0.00 H new ATOM 551 N CYS A 37 31.205 -7.686 6.251 1.00 0.00 N ATOM 552 CA CYS A 37 31.702 -9.025 6.545 1.00 0.00 C ATOM 553 C CYS A 37 31.959 -9.193 8.040 1.00 0.00 C ATOM 554 O CYS A 37 32.487 -8.294 8.695 1.00 0.00 O ATOM 555 CB CYS A 37 32.987 -9.298 5.762 1.00 0.00 C ATOM 556 SG CYS A 37 33.624 -10.995 5.945 1.00 0.00 S ATOM 0 H CYS A 37 31.769 -6.931 6.642 1.00 0.00 H new ATOM 0 HA CYS A 37 30.940 -9.743 6.242 1.00 0.00 H new ATOM 0 HB2 CYS A 37 32.804 -9.102 4.705 1.00 0.00 H new ATOM 0 HB3 CYS A 37 33.755 -8.596 6.088 1.00 0.00 H new ATOM 561 N HIS A 38 31.582 -10.351 8.573 1.00 0.00 N ATOM 562 CA HIS A 38 31.772 -10.638 9.990 1.00 0.00 C ATOM 563 C HIS A 38 32.122 -12.108 10.205 1.00 0.00 C ATOM 564 O HIS A 38 31.746 -12.969 9.409 1.00 0.00 O ATOM 565 CB HIS A 38 30.511 -10.282 10.778 1.00 0.00 C ATOM 566 CG HIS A 38 30.778 -9.436 11.985 1.00 0.00 C ATOM 567 ND1 HIS A 38 31.650 -8.368 11.978 1.00 0.00 N ATOM 568 CD2 HIS A 38 30.280 -9.505 13.242 1.00 0.00 C ATOM 569 CE1 HIS A 38 31.679 -7.817 13.178 1.00 0.00 C ATOM 570 NE2 HIS A 38 30.855 -8.488 13.964 1.00 0.00 N ATOM 0 H HIS A 38 31.143 -11.105 8.045 1.00 0.00 H new ATOM 0 HA HIS A 38 32.601 -10.029 10.350 1.00 0.00 H new ATOM 0 HB2 HIS A 38 29.819 -9.755 10.121 1.00 0.00 H new ATOM 0 HB3 HIS A 38 30.016 -11.201 11.091 1.00 0.00 H new ATOM 0 HD2 HIS A 38 29.564 -10.226 13.609 1.00 0.00 H new ATOM 0 HE1 HIS A 38 32.274 -6.964 13.468 1.00 0.00 H new ATOM 0 HE2 HIS A 38 30.675 -8.284 14.947 1.00 0.00 H new ATOM 578 N LYS A 39 32.844 -12.387 11.284 1.00 0.00 N ATOM 579 CA LYS A 39 33.245 -13.752 11.605 1.00 0.00 C ATOM 580 C LYS A 39 32.294 -14.374 12.623 1.00 0.00 C ATOM 581 O LYS A 39 31.998 -13.773 13.656 1.00 0.00 O ATOM 582 CB LYS A 39 34.675 -13.771 12.148 1.00 0.00 C ATOM 583 CG LYS A 39 34.834 -13.038 13.469 1.00 0.00 C ATOM 584 CD LYS A 39 34.845 -14.001 14.644 1.00 0.00 C ATOM 585 CE LYS A 39 34.471 -13.301 15.942 1.00 0.00 C ATOM 586 NZ LYS A 39 35.467 -13.559 17.018 1.00 0.00 N ATOM 0 H LYS A 39 33.164 -11.686 11.952 1.00 0.00 H new ATOM 0 HA LYS A 39 33.203 -14.341 10.689 1.00 0.00 H new ATOM 0 HB2 LYS A 39 34.992 -14.806 12.276 1.00 0.00 H new ATOM 0 HB3 LYS A 39 35.341 -13.322 11.411 1.00 0.00 H new ATOM 0 HG2 LYS A 39 35.761 -12.465 13.459 1.00 0.00 H new ATOM 0 HG3 LYS A 39 34.019 -12.324 13.590 1.00 0.00 H new ATOM 0 HD2 LYS A 39 34.146 -14.816 14.454 1.00 0.00 H new ATOM 0 HD3 LYS A 39 35.835 -14.446 14.742 1.00 0.00 H new ATOM 0 HE2 LYS A 39 34.395 -12.228 15.767 1.00 0.00 H new ATOM 0 HE3 LYS A 39 33.488 -13.641 16.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 35.176 -13.065 17.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 35.521 -14.581 17.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 36.400 -13.212 16.718 1.00 0.00 H new ATOM 600 N ARG A 40 31.821 -15.579 12.325 1.00 0.00 N ATOM 601 CA ARG A 40 30.905 -16.282 13.215 1.00 0.00 C ATOM 602 C ARG A 40 31.493 -17.619 13.657 1.00 0.00 C ATOM 603 O ARG A 40 32.475 -18.094 13.087 1.00 0.00 O ATOM 604 CB ARG A 40 29.560 -16.508 12.522 1.00 0.00 C ATOM 605 CG ARG A 40 28.362 -16.137 13.380 1.00 0.00 C ATOM 606 CD ARG A 40 27.938 -14.695 13.150 1.00 0.00 C ATOM 607 NE ARG A 40 27.697 -13.988 14.405 1.00 0.00 N ATOM 608 CZ ARG A 40 27.285 -12.727 14.471 1.00 0.00 C ATOM 609 NH1 ARG A 40 27.067 -12.038 13.359 1.00 0.00 N ATOM 610 NH2 ARG A 40 27.089 -12.152 15.651 1.00 0.00 N ATOM 0 H ARG A 40 32.057 -16.089 11.474 1.00 0.00 H new ATOM 0 HA ARG A 40 30.751 -15.663 14.099 1.00 0.00 H new ATOM 0 HB2 ARG A 40 29.532 -15.924 11.602 1.00 0.00 H new ATOM 0 HB3 ARG A 40 29.480 -17.557 12.236 1.00 0.00 H new ATOM 0 HG2 ARG A 40 27.530 -16.803 13.152 1.00 0.00 H new ATOM 0 HG3 ARG A 40 28.608 -16.282 14.432 1.00 0.00 H new ATOM 0 HD2 ARG A 40 28.712 -14.176 12.584 1.00 0.00 H new ATOM 0 HD3 ARG A 40 27.032 -14.676 12.544 1.00 0.00 H new ATOM 0 HE ARG A 40 27.854 -14.490 15.279 1.00 0.00 H new ATOM 0 HH11 ARG A 40 27.216 -12.476 12.450 1.00 0.00 H new ATOM 0 HH12 ARG A 40 26.751 -11.070 13.413 1.00 0.00 H new ATOM 0 HH21 ARG A 40 27.255 -12.679 16.509 1.00 0.00 H new ATOM 0 HH22 ARG A 40 26.773 -11.184 15.700 1.00 0.00 H new ATOM 624 N GLU A 41 30.886 -18.219 14.676 1.00 0.00 N ATOM 625 CA GLU A 41 31.351 -19.500 15.194 1.00 0.00 C ATOM 626 C GLU A 41 31.607 -20.486 14.058 1.00 0.00 C ATOM 627 O GLU A 41 31.158 -20.280 12.930 1.00 0.00 O ATOM 628 CB GLU A 41 30.327 -20.083 16.169 1.00 0.00 C ATOM 629 CG GLU A 41 30.500 -19.596 17.598 1.00 0.00 C ATOM 630 CD GLU A 41 29.486 -18.536 17.980 1.00 0.00 C ATOM 631 OE1 GLU A 41 29.673 -17.366 17.584 1.00 0.00 O ATOM 632 OE2 GLU A 41 28.505 -18.875 18.675 1.00 0.00 O ATOM 0 H GLU A 41 30.072 -17.839 15.159 1.00 0.00 H new ATOM 0 HA GLU A 41 32.289 -19.330 15.722 1.00 0.00 H new ATOM 0 HB2 GLU A 41 29.325 -19.827 15.826 1.00 0.00 H new ATOM 0 HB3 GLU A 41 30.401 -21.170 16.153 1.00 0.00 H new ATOM 0 HG2 GLU A 41 30.410 -20.442 18.279 1.00 0.00 H new ATOM 0 HG3 GLU A 41 31.505 -19.193 17.721 1.00 0.00 H new ATOM 639 N ALA A 42 32.332 -21.557 14.363 1.00 0.00 N ATOM 640 CA ALA A 42 32.646 -22.576 13.369 1.00 0.00 C ATOM 641 C ALA A 42 33.407 -21.977 12.191 1.00 0.00 C ATOM 642 O ALA A 42 33.426 -22.544 11.099 1.00 0.00 O ATOM 643 CB ALA A 42 31.373 -23.255 12.888 1.00 0.00 C ATOM 0 H ALA A 42 32.713 -21.742 15.291 1.00 0.00 H new ATOM 0 HA ALA A 42 33.286 -23.322 13.840 1.00 0.00 H new ATOM 0 HB1 ALA A 42 31.623 -24.013 12.146 1.00 0.00 H new ATOM 0 HB2 ALA A 42 30.870 -23.726 13.733 1.00 0.00 H new ATOM 0 HB3 ALA A 42 30.712 -22.513 12.440 1.00 0.00 H new ATOM 649 N GLY A 43 34.032 -20.826 12.419 1.00 0.00 N ATOM 650 CA GLY A 43 34.785 -20.169 11.367 1.00 0.00 C ATOM 651 C GLY A 43 33.930 -19.850 10.156 1.00 0.00 C ATOM 652 O GLY A 43 34.388 -19.957 9.018 1.00 0.00 O ATOM 0 H GLY A 43 34.030 -20.337 13.314 1.00 0.00 H new ATOM 0 HA2 GLY A 43 35.218 -19.247 11.755 1.00 0.00 H new ATOM 0 HA3 GLY A 43 35.615 -20.808 11.064 1.00 0.00 H new ATOM 656 N LYS A 44 32.685 -19.457 10.400 1.00 0.00 N ATOM 657 CA LYS A 44 31.763 -19.121 9.321 1.00 0.00 C ATOM 658 C LYS A 44 31.585 -17.610 9.208 1.00 0.00 C ATOM 659 O LYS A 44 31.023 -16.975 10.099 1.00 0.00 O ATOM 660 CB LYS A 44 30.406 -19.789 9.556 1.00 0.00 C ATOM 661 CG LYS A 44 30.510 -21.230 10.024 1.00 0.00 C ATOM 662 CD LYS A 44 29.156 -21.781 10.437 1.00 0.00 C ATOM 663 CE LYS A 44 28.703 -21.207 11.771 1.00 0.00 C ATOM 664 NZ LYS A 44 27.281 -21.538 12.064 1.00 0.00 N ATOM 0 H LYS A 44 32.291 -19.363 11.336 1.00 0.00 H new ATOM 0 HA LYS A 44 32.186 -19.490 8.387 1.00 0.00 H new ATOM 0 HB2 LYS A 44 29.851 -19.214 10.298 1.00 0.00 H new ATOM 0 HB3 LYS A 44 29.830 -19.757 8.631 1.00 0.00 H new ATOM 0 HG2 LYS A 44 30.925 -21.844 9.225 1.00 0.00 H new ATOM 0 HG3 LYS A 44 31.201 -21.291 10.865 1.00 0.00 H new ATOM 0 HD2 LYS A 44 28.418 -21.547 9.670 1.00 0.00 H new ATOM 0 HD3 LYS A 44 29.210 -22.867 10.507 1.00 0.00 H new ATOM 0 HE2 LYS A 44 29.338 -21.595 12.568 1.00 0.00 H new ATOM 0 HE3 LYS A 44 28.829 -20.124 11.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 27.011 -21.129 12.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 26.672 -21.146 11.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 27.165 -22.571 12.098 1.00 0.00 H new ATOM 678 N GLU A 45 32.066 -17.043 8.106 1.00 0.00 N ATOM 679 CA GLU A 45 31.959 -15.607 7.877 1.00 0.00 C ATOM 680 C GLU A 45 30.609 -15.254 7.260 1.00 0.00 C ATOM 681 O GLU A 45 30.203 -15.836 6.253 1.00 0.00 O ATOM 682 CB GLU A 45 33.090 -15.128 6.965 1.00 0.00 C ATOM 683 CG GLU A 45 34.214 -14.424 7.708 1.00 0.00 C ATOM 684 CD GLU A 45 35.553 -14.568 7.012 1.00 0.00 C ATOM 685 OE1 GLU A 45 35.799 -15.636 6.412 1.00 0.00 O ATOM 686 OE2 GLU A 45 36.355 -13.613 7.067 1.00 0.00 O ATOM 0 H GLU A 45 32.533 -17.556 7.358 1.00 0.00 H new ATOM 0 HA GLU A 45 32.041 -15.104 8.840 1.00 0.00 H new ATOM 0 HB2 GLU A 45 33.500 -15.984 6.429 1.00 0.00 H new ATOM 0 HB3 GLU A 45 32.680 -14.450 6.217 1.00 0.00 H new ATOM 0 HG2 GLU A 45 33.972 -13.366 7.807 1.00 0.00 H new ATOM 0 HG3 GLU A 45 34.288 -14.830 8.717 1.00 0.00 H new ATOM 693 N SER A 46 29.917 -14.298 7.871 1.00 0.00 N ATOM 694 CA SER A 46 28.611 -13.869 7.385 1.00 0.00 C ATOM 695 C SER A 46 28.706 -12.511 6.697 1.00 0.00 C ATOM 696 O SER A 46 29.525 -11.670 7.068 1.00 0.00 O ATOM 697 CB SER A 46 27.611 -13.800 8.541 1.00 0.00 C ATOM 698 OG SER A 46 28.263 -13.953 9.789 1.00 0.00 O ATOM 0 H SER A 46 30.239 -13.806 8.704 1.00 0.00 H new ATOM 0 HA SER A 46 28.263 -14.601 6.656 1.00 0.00 H new ATOM 0 HB2 SER A 46 27.087 -12.845 8.516 1.00 0.00 H new ATOM 0 HB3 SER A 46 26.859 -14.580 8.422 1.00 0.00 H new ATOM 0 HG SER A 46 27.603 -13.903 10.511 1.00 0.00 H new ATOM 704 N CYS A 47 27.862 -12.303 5.692 1.00 0.00 N ATOM 705 CA CYS A 47 27.848 -11.048 4.950 1.00 0.00 C ATOM 706 C CYS A 47 26.546 -10.289 5.189 1.00 0.00 C ATOM 707 O CYS A 47 25.459 -10.798 4.914 1.00 0.00 O ATOM 708 CB CYS A 47 28.031 -11.314 3.455 1.00 0.00 C ATOM 709 SG CYS A 47 28.605 -9.867 2.508 1.00 0.00 S ATOM 0 H CYS A 47 27.178 -12.989 5.372 1.00 0.00 H new ATOM 0 HA CYS A 47 28.675 -10.434 5.306 1.00 0.00 H new ATOM 0 HB2 CYS A 47 28.746 -12.126 3.326 1.00 0.00 H new ATOM 0 HB3 CYS A 47 27.083 -11.655 3.039 1.00 0.00 H new ATOM 714 N PHE A 48 26.664 -9.069 5.702 1.00 0.00 N ATOM 715 CA PHE A 48 25.497 -8.240 5.978 1.00 0.00 C ATOM 716 C PHE A 48 25.397 -7.092 4.978 1.00 0.00 C ATOM 717 O PHE A 48 26.320 -6.288 4.844 1.00 0.00 O ATOM 718 CB PHE A 48 25.565 -7.686 7.403 1.00 0.00 C ATOM 719 CG PHE A 48 24.663 -8.402 8.368 1.00 0.00 C ATOM 720 CD1 PHE A 48 23.314 -8.555 8.093 1.00 0.00 C ATOM 721 CD2 PHE A 48 25.166 -8.923 9.549 1.00 0.00 C ATOM 722 CE1 PHE A 48 22.483 -9.213 8.979 1.00 0.00 C ATOM 723 CE2 PHE A 48 24.339 -9.582 10.440 1.00 0.00 C ATOM 724 CZ PHE A 48 22.996 -9.728 10.154 1.00 0.00 C ATOM 0 H PHE A 48 27.556 -8.633 5.935 1.00 0.00 H new ATOM 0 HA PHE A 48 24.608 -8.863 5.879 1.00 0.00 H new ATOM 0 HB2 PHE A 48 26.592 -7.752 7.761 1.00 0.00 H new ATOM 0 HB3 PHE A 48 25.300 -6.629 7.386 1.00 0.00 H new ATOM 0 HD1 PHE A 48 22.907 -8.155 7.176 1.00 0.00 H new ATOM 0 HD2 PHE A 48 26.216 -8.813 9.776 1.00 0.00 H new ATOM 0 HE1 PHE A 48 21.433 -9.325 8.753 1.00 0.00 H new ATOM 0 HE2 PHE A 48 24.743 -9.982 11.358 1.00 0.00 H new ATOM 0 HZ PHE A 48 22.348 -10.244 10.847 1.00 0.00 H new ATOM 734 N CYS A 49 24.270 -7.022 4.278 1.00 0.00 N ATOM 735 CA CYS A 49 24.047 -5.974 3.289 1.00 0.00 C ATOM 736 C CYS A 49 22.730 -5.249 3.552 1.00 0.00 C ATOM 737 O CYS A 49 21.777 -5.838 4.063 1.00 0.00 O ATOM 738 CB CYS A 49 24.043 -6.567 1.879 1.00 0.00 C ATOM 739 SG CYS A 49 24.964 -8.132 1.727 1.00 0.00 S ATOM 0 H CYS A 49 23.496 -7.679 4.377 1.00 0.00 H new ATOM 0 HA CYS A 49 24.861 -5.253 3.370 1.00 0.00 H new ATOM 0 HB2 CYS A 49 23.011 -6.734 1.570 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.469 -5.839 1.189 1.00 0.00 H new ATOM 744 N TYR A 50 22.685 -3.970 3.198 1.00 0.00 N ATOM 745 CA TYR A 50 21.486 -3.164 3.398 1.00 0.00 C ATOM 746 C TYR A 50 21.146 -2.373 2.138 1.00 0.00 C ATOM 747 O TYR A 50 22.024 -1.797 1.496 1.00 0.00 O ATOM 748 CB TYR A 50 21.679 -2.208 4.576 1.00 0.00 C ATOM 749 CG TYR A 50 22.313 -2.858 5.786 1.00 0.00 C ATOM 750 CD1 TYR A 50 23.691 -3.009 5.876 1.00 0.00 C ATOM 751 CD2 TYR A 50 21.533 -3.321 6.838 1.00 0.00 C ATOM 752 CE1 TYR A 50 24.274 -3.603 6.978 1.00 0.00 C ATOM 753 CE2 TYR A 50 22.107 -3.915 7.945 1.00 0.00 C ATOM 754 CZ TYR A 50 23.478 -4.054 8.011 1.00 0.00 C ATOM 755 OH TYR A 50 24.055 -4.645 9.111 1.00 0.00 O ATOM 0 H TYR A 50 23.464 -3.469 2.771 1.00 0.00 H new ATOM 0 HA TYR A 50 20.658 -3.838 3.618 1.00 0.00 H new ATOM 0 HB2 TYR A 50 22.300 -1.371 4.256 1.00 0.00 H new ATOM 0 HB3 TYR A 50 20.711 -1.796 4.861 1.00 0.00 H new ATOM 0 HD1 TYR A 50 24.317 -2.656 5.070 1.00 0.00 H new ATOM 0 HD2 TYR A 50 20.459 -3.215 6.790 1.00 0.00 H new ATOM 0 HE1 TYR A 50 25.347 -3.714 7.031 1.00 0.00 H new ATOM 0 HE2 TYR A 50 21.486 -4.269 8.755 1.00 0.00 H new ATOM 0 HH TYR A 50 23.356 -4.905 9.747 1.00 0.00 H new ATOM 765 N PHE A 51 19.863 -2.350 1.791 1.00 0.00 N ATOM 766 CA PHE A 51 19.404 -1.630 0.608 1.00 0.00 C ATOM 767 C PHE A 51 17.987 -1.101 0.809 1.00 0.00 C ATOM 768 O PHE A 51 17.189 -1.694 1.534 1.00 0.00 O ATOM 769 CB PHE A 51 19.451 -2.542 -0.620 1.00 0.00 C ATOM 770 CG PHE A 51 18.726 -3.844 -0.427 1.00 0.00 C ATOM 771 CD1 PHE A 51 19.273 -4.849 0.353 1.00 0.00 C ATOM 772 CD2 PHE A 51 17.496 -4.062 -1.028 1.00 0.00 C ATOM 773 CE1 PHE A 51 18.609 -6.047 0.533 1.00 0.00 C ATOM 774 CE2 PHE A 51 16.827 -5.258 -0.852 1.00 0.00 C ATOM 775 CZ PHE A 51 17.384 -6.252 -0.072 1.00 0.00 C ATOM 0 H PHE A 51 19.123 -2.821 2.312 1.00 0.00 H new ATOM 0 HA PHE A 51 20.070 -0.782 0.448 1.00 0.00 H new ATOM 0 HB2 PHE A 51 19.017 -2.016 -1.470 1.00 0.00 H new ATOM 0 HB3 PHE A 51 20.492 -2.748 -0.870 1.00 0.00 H new ATOM 0 HD1 PHE A 51 20.231 -4.694 0.827 1.00 0.00 H new ATOM 0 HD2 PHE A 51 17.056 -3.289 -1.640 1.00 0.00 H new ATOM 0 HE1 PHE A 51 19.047 -6.822 1.145 1.00 0.00 H new ATOM 0 HE2 PHE A 51 15.869 -5.415 -1.324 1.00 0.00 H new ATOM 0 HZ PHE A 51 16.863 -7.188 0.065 1.00 0.00 H new ATOM 785 N ASP A 52 17.683 0.019 0.162 1.00 0.00 N ATOM 786 CA ASP A 52 16.363 0.629 0.269 1.00 0.00 C ATOM 787 C ASP A 52 15.304 -0.248 -0.393 1.00 0.00 C ATOM 788 O ASP A 52 15.525 -0.800 -1.471 1.00 0.00 O ATOM 789 CB ASP A 52 16.366 2.017 -0.373 1.00 0.00 C ATOM 790 CG ASP A 52 17.132 2.049 -1.681 1.00 0.00 C ATOM 791 OD1 ASP A 52 18.376 2.144 -1.637 1.00 0.00 O ATOM 792 OD2 ASP A 52 16.487 1.980 -2.748 1.00 0.00 O ATOM 0 H ASP A 52 18.333 0.523 -0.442 1.00 0.00 H new ATOM 0 HA ASP A 52 16.120 0.727 1.327 1.00 0.00 H new ATOM 0 HB2 ASP A 52 15.338 2.335 -0.549 1.00 0.00 H new ATOM 0 HB3 ASP A 52 16.807 2.734 0.320 1.00 0.00 H new ATOM 797 N CYS A 53 14.154 -0.373 0.261 1.00 0.00 N ATOM 798 CA CYS A 53 13.061 -1.183 -0.262 1.00 0.00 C ATOM 799 C CYS A 53 11.771 -0.371 -0.341 1.00 0.00 C ATOM 800 O CYS A 53 11.528 0.509 0.484 1.00 0.00 O ATOM 801 CB CYS A 53 12.847 -2.417 0.618 1.00 0.00 C ATOM 802 SG CYS A 53 13.454 -3.969 -0.118 1.00 0.00 S ATOM 0 H CYS A 53 13.955 0.077 1.155 1.00 0.00 H new ATOM 0 HA CYS A 53 13.329 -1.504 -1.268 1.00 0.00 H new ATOM 0 HB2 CYS A 53 13.348 -2.260 1.573 1.00 0.00 H new ATOM 0 HB3 CYS A 53 11.783 -2.519 0.829 1.00 0.00 H new ATOM 807 N SER A 54 10.948 -0.674 -1.340 1.00 0.00 N ATOM 808 CA SER A 54 9.685 0.029 -1.529 1.00 0.00 C ATOM 809 C SER A 54 9.926 1.501 -1.851 1.00 0.00 C ATOM 810 O SER A 54 9.865 1.913 -3.010 1.00 0.00 O ATOM 811 CB SER A 54 8.815 -0.095 -0.277 1.00 0.00 C ATOM 812 OG SER A 54 7.788 -1.054 -0.463 1.00 0.00 O ATOM 0 H SER A 54 11.133 -1.401 -2.031 1.00 0.00 H new ATOM 0 HA SER A 54 9.165 -0.429 -2.370 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.434 -0.381 0.573 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.374 0.873 -0.039 1.00 0.00 H new ATOM 0 HG SER A 54 7.567 -1.468 0.397 1.00 0.00 H new ATOM 818 N LYS A 55 10.200 2.289 -0.817 1.00 0.00 N ATOM 819 CA LYS A 55 10.452 3.715 -0.987 1.00 0.00 C ATOM 820 C LYS A 55 11.598 4.175 -0.093 1.00 0.00 C ATOM 821 O LYS A 55 12.327 5.107 -0.433 1.00 0.00 O ATOM 822 CB LYS A 55 9.188 4.518 -0.668 1.00 0.00 C ATOM 823 CG LYS A 55 8.844 5.554 -1.724 1.00 0.00 C ATOM 824 CD LYS A 55 7.866 5.003 -2.748 1.00 0.00 C ATOM 825 CE LYS A 55 8.535 4.783 -4.096 1.00 0.00 C ATOM 826 NZ LYS A 55 7.659 4.026 -5.033 1.00 0.00 N ATOM 0 H LYS A 55 10.253 1.964 0.148 1.00 0.00 H new ATOM 0 HA LYS A 55 10.733 3.888 -2.026 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.349 3.831 -0.558 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.318 5.019 0.292 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.414 6.434 -1.245 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.755 5.878 -2.227 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.453 4.061 -2.388 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.031 5.694 -2.864 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.790 5.747 -4.536 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.469 4.240 -3.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.151 3.897 -5.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.436 3.096 -4.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.778 4.556 -5.189 1.00 0.00 H new ATOM 840 N SER A 56 11.754 3.515 1.050 1.00 0.00 N ATOM 841 CA SER A 56 12.811 3.858 1.994 1.00 0.00 C ATOM 842 C SER A 56 12.809 5.355 2.291 1.00 0.00 C ATOM 843 O SER A 56 13.603 6.123 1.748 1.00 0.00 O ATOM 844 CB SER A 56 14.174 3.439 1.440 1.00 0.00 C ATOM 845 OG SER A 56 14.546 4.246 0.337 1.00 0.00 O ATOM 0 H SER A 56 11.161 2.739 1.345 1.00 0.00 H new ATOM 0 HA SER A 56 12.623 3.320 2.923 1.00 0.00 H new ATOM 0 HB2 SER A 56 14.928 3.518 2.223 1.00 0.00 H new ATOM 0 HB3 SER A 56 14.140 2.393 1.134 1.00 0.00 H new ATOM 0 HG SER A 56 14.001 5.060 0.329 1.00 0.00 H new ATOM 851 N PRO A 57 11.894 5.780 3.175 1.00 0.00 N ATOM 852 CA PRO A 57 11.765 7.187 3.567 1.00 0.00 C ATOM 853 C PRO A 57 12.944 7.664 4.408 1.00 0.00 C ATOM 854 O PRO A 57 13.784 6.878 4.846 1.00 0.00 O ATOM 855 CB PRO A 57 10.476 7.209 4.391 1.00 0.00 C ATOM 856 CG PRO A 57 10.338 5.822 4.917 1.00 0.00 C ATOM 857 CD PRO A 57 10.915 4.920 3.862 1.00 0.00 C ATOM 0 HA PRO A 57 11.745 7.851 2.703 1.00 0.00 H new ATOM 0 HB2 PRO A 57 10.537 7.935 5.201 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.619 7.487 3.778 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.870 5.708 5.861 1.00 0.00 H new ATOM 0 HG3 PRO A 57 9.293 5.580 5.109 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.389 4.042 4.300 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.147 4.560 3.178 1.00 0.00 H new ATOM 865 N PRO A 58 13.009 8.984 4.642 1.00 0.00 N ATOM 866 CA PRO A 58 14.080 9.595 5.434 1.00 0.00 C ATOM 867 C PRO A 58 13.984 9.239 6.913 1.00 0.00 C ATOM 868 O PRO A 58 13.544 10.048 7.729 1.00 0.00 O ATOM 869 CB PRO A 58 13.860 11.096 5.230 1.00 0.00 C ATOM 870 CG PRO A 58 12.411 11.226 4.908 1.00 0.00 C ATOM 871 CD PRO A 58 12.042 9.980 4.151 1.00 0.00 C ATOM 0 HA PRO A 58 15.065 9.248 5.122 1.00 0.00 H new ATOM 0 HB2 PRO A 58 14.118 11.659 6.127 1.00 0.00 H new ATOM 0 HB3 PRO A 58 14.481 11.481 4.421 1.00 0.00 H new ATOM 0 HG2 PRO A 58 11.816 11.321 5.816 1.00 0.00 H new ATOM 0 HG3 PRO A 58 12.223 12.117 4.309 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.015 9.676 4.353 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.126 10.124 3.074 1.00 0.00 H new ATOM 879 N GLY A 59 14.398 8.022 7.252 1.00 0.00 N ATOM 880 CA GLY A 59 14.350 7.580 8.634 1.00 0.00 C ATOM 881 C GLY A 59 14.261 6.072 8.758 1.00 0.00 C ATOM 882 O GLY A 59 14.716 5.342 7.878 1.00 0.00 O ATOM 0 H GLY A 59 14.766 7.334 6.595 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.240 7.932 9.156 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.490 8.033 9.128 1.00 0.00 H new ATOM 886 N ALA A 60 13.673 5.604 9.854 1.00 0.00 N ATOM 887 CA ALA A 60 13.525 4.173 10.089 1.00 0.00 C ATOM 888 C ALA A 60 14.858 3.450 9.933 1.00 0.00 C ATOM 889 O ALA A 60 15.912 4.081 9.840 1.00 0.00 O ATOM 890 CB ALA A 60 12.490 3.586 9.141 1.00 0.00 C ATOM 0 H ALA A 60 13.292 6.195 10.593 1.00 0.00 H new ATOM 0 HA ALA A 60 13.183 4.032 11.114 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.390 2.517 9.328 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.529 4.074 9.304 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.808 3.746 8.111 1.00 0.00 H new ATOM 896 N THR A 61 14.806 2.122 9.905 1.00 0.00 N ATOM 897 CA THR A 61 16.010 1.313 9.762 1.00 0.00 C ATOM 898 C THR A 61 15.690 -0.045 9.148 1.00 0.00 C ATOM 899 O THR A 61 14.548 -0.506 9.161 1.00 0.00 O ATOM 900 CB THR A 61 16.708 1.099 11.118 1.00 0.00 C ATOM 901 OG1 THR A 61 15.777 1.309 12.186 1.00 0.00 O ATOM 902 CG2 THR A 61 17.888 2.046 11.275 1.00 0.00 C ATOM 0 H THR A 61 13.943 1.584 9.979 1.00 0.00 H new ATOM 0 HA THR A 61 16.681 1.860 9.099 1.00 0.00 H new ATOM 0 HB THR A 61 17.078 0.074 11.154 1.00 0.00 H new ATOM 0 HG1 THR A 61 16.228 1.169 13.045 1.00 0.00 H new ATOM 0 HG21 THR A 61 18.365 1.876 12.240 1.00 0.00 H new ATOM 0 HG22 THR A 61 18.608 1.865 10.477 1.00 0.00 H new ATOM 0 HG23 THR A 61 17.537 3.077 11.220 1.00 0.00 H new ATOM 910 N PRO A 62 16.720 -0.704 8.598 1.00 0.00 N ATOM 911 CA PRO A 62 16.573 -2.021 7.970 1.00 0.00 C ATOM 912 C PRO A 62 16.287 -3.120 8.987 1.00 0.00 C ATOM 913 O PRO A 62 16.848 -3.127 10.082 1.00 0.00 O ATOM 914 CB PRO A 62 17.932 -2.250 7.304 1.00 0.00 C ATOM 915 CG PRO A 62 18.886 -1.420 8.093 1.00 0.00 C ATOM 916 CD PRO A 62 18.109 -0.216 8.547 1.00 0.00 C ATOM 0 HA PRO A 62 15.732 -2.050 7.277 1.00 0.00 H new ATOM 0 HB2 PRO A 62 18.211 -3.303 7.327 1.00 0.00 H new ATOM 0 HB3 PRO A 62 17.916 -1.947 6.257 1.00 0.00 H new ATOM 0 HG2 PRO A 62 19.276 -1.977 8.945 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.742 -1.126 7.486 1.00 0.00 H new ATOM 0 HD2 PRO A 62 18.447 0.136 9.522 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.217 0.617 7.852 1.00 0.00 H new ATOM 924 N ALA A 63 15.410 -4.048 8.618 1.00 0.00 N ATOM 925 CA ALA A 63 15.051 -5.153 9.498 1.00 0.00 C ATOM 926 C ALA A 63 14.356 -4.648 10.758 1.00 0.00 C ATOM 927 O ALA A 63 14.461 -3.478 11.128 1.00 0.00 O ATOM 928 CB ALA A 63 16.288 -5.960 9.863 1.00 0.00 C ATOM 0 H ALA A 63 14.935 -4.056 7.715 1.00 0.00 H new ATOM 0 HA ALA A 63 14.354 -5.799 8.964 1.00 0.00 H new ATOM 0 HB1 ALA A 63 16.005 -6.782 10.521 1.00 0.00 H new ATOM 0 HB2 ALA A 63 16.742 -6.360 8.956 1.00 0.00 H new ATOM 0 HB3 ALA A 63 17.004 -5.317 10.374 1.00 0.00 H new ATOM 934 N PRO A 64 13.628 -5.549 11.435 1.00 0.00 N ATOM 935 CA PRO A 64 12.901 -5.217 12.664 1.00 0.00 C ATOM 936 C PRO A 64 13.837 -4.948 13.836 1.00 0.00 C ATOM 937 O PRO A 64 15.036 -5.227 13.782 1.00 0.00 O ATOM 938 CB PRO A 64 12.060 -6.469 12.927 1.00 0.00 C ATOM 939 CG PRO A 64 12.805 -7.573 12.260 1.00 0.00 C ATOM 940 CD PRO A 64 13.459 -6.961 11.052 1.00 0.00 C ATOM 0 HA PRO A 64 12.312 -4.306 12.556 1.00 0.00 H new ATOM 0 HB2 PRO A 64 11.950 -6.655 13.995 1.00 0.00 H new ATOM 0 HB3 PRO A 64 11.056 -6.365 12.517 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.549 -8.003 12.931 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.131 -8.380 11.972 1.00 0.00 H new ATOM 0 HD2 PRO A 64 14.415 -7.434 10.830 1.00 0.00 H new ATOM 0 HD3 PRO A 64 12.837 -7.065 10.163 1.00 0.00 H new ATOM 948 N PRO A 65 13.281 -4.394 14.924 1.00 0.00 N ATOM 949 CA PRO A 65 14.049 -4.077 16.132 1.00 0.00 C ATOM 950 C PRO A 65 14.499 -5.328 16.878 1.00 0.00 C ATOM 951 O PRO A 65 13.812 -6.349 16.869 1.00 0.00 O ATOM 952 CB PRO A 65 13.060 -3.274 16.980 1.00 0.00 C ATOM 953 CG PRO A 65 11.716 -3.724 16.523 1.00 0.00 C ATOM 954 CD PRO A 65 11.859 -4.036 15.059 1.00 0.00 C ATOM 0 HA PRO A 65 14.968 -3.539 15.901 1.00 0.00 H new ATOM 0 HB2 PRO A 65 13.202 -3.468 18.043 1.00 0.00 H new ATOM 0 HB3 PRO A 65 13.190 -2.202 16.831 1.00 0.00 H new ATOM 0 HG2 PRO A 65 11.389 -4.603 17.079 1.00 0.00 H new ATOM 0 HG3 PRO A 65 10.968 -2.947 16.685 1.00 0.00 H new ATOM 0 HD2 PRO A 65 11.208 -4.856 14.757 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.600 -3.178 14.438 1.00 0.00 H new ATOM 962 N GLY A 66 15.657 -5.241 17.526 1.00 0.00 N ATOM 963 CA GLY A 66 16.178 -6.374 18.269 1.00 0.00 C ATOM 964 C GLY A 66 17.610 -6.703 17.896 1.00 0.00 C ATOM 965 O GLY A 66 17.979 -7.873 17.797 1.00 0.00 O ATOM 0 H GLY A 66 16.243 -4.407 17.550 1.00 0.00 H new ATOM 0 HA2 GLY A 66 16.124 -6.160 19.336 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.549 -7.245 18.086 1.00 0.00 H new ATOM 969 N ALA A 67 18.418 -5.669 17.686 1.00 0.00 N ATOM 970 CA ALA A 67 19.817 -5.855 17.321 1.00 0.00 C ATOM 971 C ALA A 67 20.569 -4.528 17.336 1.00 0.00 C ATOM 972 O ALA A 67 20.257 -3.619 16.567 1.00 0.00 O ATOM 973 CB ALA A 67 19.923 -6.509 15.952 1.00 0.00 C ATOM 0 H ALA A 67 18.128 -4.694 17.762 1.00 0.00 H new ATOM 0 HA ALA A 67 20.276 -6.511 18.061 1.00 0.00 H new ATOM 0 HB1 ALA A 67 20.973 -6.642 15.692 1.00 0.00 H new ATOM 0 HB2 ALA A 67 19.429 -7.480 15.974 1.00 0.00 H new ATOM 0 HB3 ALA A 67 19.443 -5.874 15.207 1.00 0.00 H new ATOM 979 N ALA A 68 21.559 -4.424 18.216 1.00 0.00 N ATOM 980 CA ALA A 68 22.356 -3.209 18.329 1.00 0.00 C ATOM 981 C ALA A 68 23.799 -3.457 17.902 1.00 0.00 C ATOM 982 O ALA A 68 24.711 -3.534 18.726 1.00 0.00 O ATOM 983 CB ALA A 68 22.309 -2.678 19.754 1.00 0.00 C ATOM 0 H ALA A 68 21.828 -5.167 18.861 1.00 0.00 H new ATOM 0 HA ALA A 68 21.930 -2.461 17.660 1.00 0.00 H new ATOM 0 HB1 ALA A 68 22.909 -1.770 19.824 1.00 0.00 H new ATOM 0 HB2 ALA A 68 21.277 -2.453 20.025 1.00 0.00 H new ATOM 0 HB3 ALA A 68 22.707 -3.429 20.436 1.00 0.00 H new ATOM 989 N PRO A 69 24.013 -3.585 16.585 1.00 0.00 N ATOM 990 CA PRO A 69 25.344 -3.827 16.019 1.00 0.00 C ATOM 991 C PRO A 69 26.257 -2.613 16.148 1.00 0.00 C ATOM 992 O PRO A 69 25.819 -1.507 16.468 1.00 0.00 O ATOM 993 CB PRO A 69 25.054 -4.123 14.545 1.00 0.00 C ATOM 994 CG PRO A 69 23.762 -3.436 14.267 1.00 0.00 C ATOM 995 CD PRO A 69 22.973 -3.505 15.545 1.00 0.00 C ATOM 0 HA PRO A 69 25.866 -4.632 16.535 1.00 0.00 H new ATOM 0 HB2 PRO A 69 25.849 -3.746 13.902 1.00 0.00 H new ATOM 0 HB3 PRO A 69 24.979 -5.195 14.364 1.00 0.00 H new ATOM 0 HG2 PRO A 69 23.927 -2.402 13.966 1.00 0.00 H new ATOM 0 HG3 PRO A 69 23.228 -3.924 13.452 1.00 0.00 H new ATOM 0 HD2 PRO A 69 22.342 -2.626 15.675 1.00 0.00 H new ATOM 0 HD3 PRO A 69 22.317 -4.375 15.565 1.00 0.00 H new ATOM 1003 N PRO A 70 27.558 -2.820 15.894 1.00 0.00 N ATOM 1004 CA PRO A 70 28.560 -1.753 15.975 1.00 0.00 C ATOM 1005 C PRO A 70 28.405 -0.726 14.858 1.00 0.00 C ATOM 1006 O PRO A 70 27.676 -0.934 13.888 1.00 0.00 O ATOM 1007 CB PRO A 70 29.887 -2.502 15.831 1.00 0.00 C ATOM 1008 CG PRO A 70 29.544 -3.742 15.080 1.00 0.00 C ATOM 1009 CD PRO A 70 28.150 -4.112 15.507 1.00 0.00 C ATOM 0 HA PRO A 70 28.474 -1.183 16.900 1.00 0.00 H new ATOM 0 HB2 PRO A 70 30.622 -1.904 15.293 1.00 0.00 H new ATOM 0 HB3 PRO A 70 30.317 -2.735 16.805 1.00 0.00 H new ATOM 0 HG2 PRO A 70 29.591 -3.572 14.004 1.00 0.00 H new ATOM 0 HG3 PRO A 70 30.247 -4.543 15.307 1.00 0.00 H new ATOM 0 HD2 PRO A 70 27.593 -4.583 14.697 1.00 0.00 H new ATOM 0 HD3 PRO A 70 28.158 -4.816 16.339 1.00 0.00 H new ATOM 1017 N PRO A 71 29.105 0.409 14.997 1.00 0.00 N ATOM 1018 CA PRO A 71 29.062 1.491 14.008 1.00 0.00 C ATOM 1019 C PRO A 71 29.750 1.111 12.702 1.00 0.00 C ATOM 1020 O PRO A 71 29.393 1.608 11.634 1.00 0.00 O ATOM 1021 CB PRO A 71 29.816 2.631 14.697 1.00 0.00 C ATOM 1022 CG PRO A 71 30.724 1.954 15.665 1.00 0.00 C ATOM 1023 CD PRO A 71 29.994 0.724 16.128 1.00 0.00 C ATOM 0 HA PRO A 71 28.040 1.745 13.727 1.00 0.00 H new ATOM 0 HB2 PRO A 71 30.378 3.226 13.977 1.00 0.00 H new ATOM 0 HB3 PRO A 71 29.130 3.309 15.205 1.00 0.00 H new ATOM 0 HG2 PRO A 71 31.671 1.691 15.193 1.00 0.00 H new ATOM 0 HG3 PRO A 71 30.957 2.609 16.505 1.00 0.00 H new ATOM 0 HD2 PRO A 71 30.681 -0.095 16.339 1.00 0.00 H new ATOM 0 HD3 PRO A 71 29.430 0.911 17.042 1.00 0.00 H new ATOM 1031 N ALA A 72 30.737 0.226 12.794 1.00 0.00 N ATOM 1032 CA ALA A 72 31.472 -0.223 11.618 1.00 0.00 C ATOM 1033 C ALA A 72 32.471 -1.317 11.980 1.00 0.00 C ATOM 1034 O ALA A 72 33.035 -1.319 13.074 1.00 0.00 O ATOM 1035 CB ALA A 72 32.186 0.950 10.963 1.00 0.00 C ATOM 0 H ALA A 72 31.046 -0.194 13.671 1.00 0.00 H new ATOM 0 HA ALA A 72 30.756 -0.640 10.910 1.00 0.00 H new ATOM 0 HB1 ALA A 72 32.731 0.601 10.086 1.00 0.00 H new ATOM 0 HB2 ALA A 72 31.454 1.699 10.661 1.00 0.00 H new ATOM 0 HB3 ALA A 72 32.885 1.392 11.672 1.00 0.00 H new ATOM 1041 N ALA A 73 32.685 -2.246 11.055 1.00 0.00 N ATOM 1042 CA ALA A 73 33.617 -3.345 11.276 1.00 0.00 C ATOM 1043 C ALA A 73 34.948 -3.085 10.578 1.00 0.00 C ATOM 1044 O ALA A 73 36.008 -3.143 11.199 1.00 0.00 O ATOM 1045 CB ALA A 73 33.013 -4.655 10.795 1.00 0.00 C ATOM 0 H ALA A 73 32.225 -2.260 10.145 1.00 0.00 H new ATOM 0 HA ALA A 73 33.807 -3.418 12.347 1.00 0.00 H new ATOM 0 HB1 ALA A 73 33.720 -5.466 10.966 1.00 0.00 H new ATOM 0 HB2 ALA A 73 32.092 -4.854 11.343 1.00 0.00 H new ATOM 0 HB3 ALA A 73 32.793 -4.585 9.730 1.00 0.00 H new ATOM 1051 N GLY A 74 34.884 -2.800 9.281 1.00 0.00 N ATOM 1052 CA GLY A 74 36.091 -2.537 8.519 1.00 0.00 C ATOM 1053 C GLY A 74 35.892 -1.459 7.471 1.00 0.00 C ATOM 1054 O GLY A 74 35.113 -0.528 7.668 1.00 0.00 O ATOM 0 H GLY A 74 34.018 -2.747 8.744 1.00 0.00 H new ATOM 0 HA2 GLY A 74 36.888 -2.236 9.199 1.00 0.00 H new ATOM 0 HA3 GLY A 74 36.418 -3.456 8.033 1.00 0.00 H new ATOM 1058 N GLY A 75 36.601 -1.585 6.353 1.00 0.00 N ATOM 1059 CA GLY A 75 36.486 -0.606 5.288 1.00 0.00 C ATOM 1060 C GLY A 75 35.215 -0.776 4.480 1.00 0.00 C ATOM 1061 O GLY A 75 34.340 0.089 4.497 1.00 0.00 O ATOM 0 H GLY A 75 37.253 -2.347 6.166 1.00 0.00 H new ATOM 0 HA2 GLY A 75 36.510 0.396 5.716 1.00 0.00 H new ATOM 0 HA3 GLY A 75 37.348 -0.691 4.626 1.00 0.00 H new ATOM 1065 N SER A 76 35.113 -1.894 3.768 1.00 0.00 N ATOM 1066 CA SER A 76 33.942 -2.172 2.945 1.00 0.00 C ATOM 1067 C SER A 76 33.579 -0.961 2.090 1.00 0.00 C ATOM 1068 O SER A 76 32.549 -0.316 2.287 1.00 0.00 O ATOM 1069 CB SER A 76 32.754 -2.562 3.826 1.00 0.00 C ATOM 1070 OG SER A 76 32.301 -1.458 4.590 1.00 0.00 O ATOM 0 H SER A 76 35.827 -2.622 3.745 1.00 0.00 H new ATOM 0 HA SER A 76 34.183 -3.004 2.283 1.00 0.00 H new ATOM 0 HB2 SER A 76 31.941 -2.934 3.202 1.00 0.00 H new ATOM 0 HB3 SER A 76 33.043 -3.375 4.492 1.00 0.00 H new ATOM 0 HG SER A 76 32.590 -0.624 4.163 1.00 0.00 H new ATOM 1076 N PRO A 77 34.445 -0.644 1.116 1.00 0.00 N ATOM 1077 CA PRO A 77 34.239 0.490 0.211 1.00 0.00 C ATOM 1078 C PRO A 77 33.085 0.255 -0.758 1.00 0.00 C ATOM 1079 O PRO A 77 32.691 -0.885 -1.005 1.00 0.00 O ATOM 1080 CB PRO A 77 35.564 0.583 -0.549 1.00 0.00 C ATOM 1081 CG PRO A 77 36.130 -0.794 -0.495 1.00 0.00 C ATOM 1082 CD PRO A 77 35.694 -1.369 0.824 1.00 0.00 C ATOM 0 HA PRO A 77 33.977 1.400 0.751 1.00 0.00 H new ATOM 0 HB2 PRO A 77 35.408 0.907 -1.578 1.00 0.00 H new ATOM 0 HB3 PRO A 77 36.236 1.306 -0.086 1.00 0.00 H new ATOM 0 HG2 PRO A 77 35.764 -1.399 -1.325 1.00 0.00 H new ATOM 0 HG3 PRO A 77 37.217 -0.772 -0.571 1.00 0.00 H new ATOM 0 HD2 PRO A 77 35.529 -2.444 0.759 1.00 0.00 H new ATOM 0 HD3 PRO A 77 36.443 -1.208 1.600 1.00 0.00 H new ATOM 1090 N SER A 78 32.547 1.341 -1.305 1.00 0.00 N ATOM 1091 CA SER A 78 31.435 1.253 -2.245 1.00 0.00 C ATOM 1092 C SER A 78 31.772 1.963 -3.552 1.00 0.00 C ATOM 1093 O SER A 78 31.213 3.009 -3.882 1.00 0.00 O ATOM 1094 CB SER A 78 30.172 1.860 -1.632 1.00 0.00 C ATOM 1095 OG SER A 78 30.437 3.138 -1.079 1.00 0.00 O ATOM 0 H SER A 78 32.863 2.292 -1.113 1.00 0.00 H new ATOM 0 HA SER A 78 31.255 0.200 -2.460 1.00 0.00 H new ATOM 0 HB2 SER A 78 29.398 1.944 -2.395 1.00 0.00 H new ATOM 0 HB3 SER A 78 29.786 1.198 -0.857 1.00 0.00 H new ATOM 0 HG SER A 78 30.817 3.721 -1.769 1.00 0.00 H new ATOM 1101 N PRO A 79 32.709 1.382 -4.316 1.00 0.00 N ATOM 1102 CA PRO A 79 33.142 1.941 -5.600 1.00 0.00 C ATOM 1103 C PRO A 79 32.063 1.836 -6.672 1.00 0.00 C ATOM 1104 O PRO A 79 31.060 1.139 -6.511 1.00 0.00 O ATOM 1105 CB PRO A 79 34.352 1.080 -5.972 1.00 0.00 C ATOM 1106 CG PRO A 79 34.129 -0.212 -5.264 1.00 0.00 C ATOM 1107 CD PRO A 79 33.417 0.134 -3.986 1.00 0.00 C ATOM 0 HA PRO A 79 33.366 3.005 -5.526 1.00 0.00 H new ATOM 0 HB2 PRO A 79 34.418 0.934 -7.050 1.00 0.00 H new ATOM 0 HB3 PRO A 79 35.284 1.549 -5.656 1.00 0.00 H new ATOM 0 HG2 PRO A 79 33.532 -0.892 -5.872 1.00 0.00 H new ATOM 0 HG3 PRO A 79 35.075 -0.714 -5.060 1.00 0.00 H new ATOM 0 HD2 PRO A 79 32.725 -0.653 -3.686 1.00 0.00 H new ATOM 0 HD3 PRO A 79 34.116 0.275 -3.162 1.00 0.00 H new ATOM 1115 N PRO A 80 32.270 2.542 -7.793 1.00 0.00 N ATOM 1116 CA PRO A 80 31.326 2.543 -8.915 1.00 0.00 C ATOM 1117 C PRO A 80 31.293 1.205 -9.646 1.00 0.00 C ATOM 1118 O PRO A 80 31.991 1.014 -10.642 1.00 0.00 O ATOM 1119 CB PRO A 80 31.866 3.641 -9.833 1.00 0.00 C ATOM 1120 CG PRO A 80 33.320 3.718 -9.517 1.00 0.00 C ATOM 1121 CD PRO A 80 33.443 3.393 -8.054 1.00 0.00 C ATOM 0 HA PRO A 80 30.301 2.711 -8.585 1.00 0.00 H new ATOM 0 HB2 PRO A 80 31.701 3.396 -10.882 1.00 0.00 H new ATOM 0 HB3 PRO A 80 31.369 4.593 -9.646 1.00 0.00 H new ATOM 0 HG2 PRO A 80 33.889 3.013 -10.123 1.00 0.00 H new ATOM 0 HG3 PRO A 80 33.714 4.712 -9.731 1.00 0.00 H new ATOM 0 HD2 PRO A 80 34.375 2.871 -7.835 1.00 0.00 H new ATOM 0 HD3 PRO A 80 33.431 4.294 -7.440 1.00 0.00 H new ATOM 1129 N ALA A 81 30.478 0.282 -9.146 1.00 0.00 N ATOM 1130 CA ALA A 81 30.353 -1.037 -9.754 1.00 0.00 C ATOM 1131 C ALA A 81 28.937 -1.273 -10.267 1.00 0.00 C ATOM 1132 O ALA A 81 28.019 -0.513 -9.957 1.00 0.00 O ATOM 1133 CB ALA A 81 30.741 -2.117 -8.755 1.00 0.00 C ATOM 0 H ALA A 81 29.894 0.423 -8.321 1.00 0.00 H new ATOM 0 HA ALA A 81 31.032 -1.083 -10.605 1.00 0.00 H new ATOM 0 HB1 ALA A 81 30.643 -3.097 -9.222 1.00 0.00 H new ATOM 0 HB2 ALA A 81 31.774 -1.967 -8.440 1.00 0.00 H new ATOM 0 HB3 ALA A 81 30.085 -2.062 -7.886 1.00 0.00 H new ATOM 1139 N ASP A 82 28.767 -2.329 -11.054 1.00 0.00 N ATOM 1140 CA ASP A 82 27.461 -2.665 -11.611 1.00 0.00 C ATOM 1141 C ASP A 82 26.968 -1.563 -12.543 1.00 0.00 C ATOM 1142 O ASP A 82 27.612 -0.525 -12.688 1.00 0.00 O ATOM 1143 CB ASP A 82 26.448 -2.893 -10.489 1.00 0.00 C ATOM 1144 CG ASP A 82 25.433 -3.965 -10.834 1.00 0.00 C ATOM 1145 OD1 ASP A 82 25.786 -5.160 -10.764 1.00 0.00 O ATOM 1146 OD2 ASP A 82 24.285 -3.608 -11.175 1.00 0.00 O ATOM 0 H ASP A 82 29.516 -2.967 -11.321 1.00 0.00 H new ATOM 0 HA ASP A 82 27.565 -3.584 -12.188 1.00 0.00 H new ATOM 0 HB2 ASP A 82 26.976 -3.177 -9.579 1.00 0.00 H new ATOM 0 HB3 ASP A 82 25.928 -1.959 -10.278 1.00 0.00 H new ATOM 1151 N GLY A 83 25.821 -1.797 -13.173 1.00 0.00 N ATOM 1152 CA GLY A 83 25.261 -0.815 -14.084 1.00 0.00 C ATOM 1153 C GLY A 83 23.794 -1.062 -14.372 1.00 0.00 C ATOM 1154 O GLY A 83 22.936 -0.799 -13.530 1.00 0.00 O ATOM 0 H GLY A 83 25.269 -2.649 -13.069 1.00 0.00 H new ATOM 0 HA2 GLY A 83 25.382 0.181 -13.659 1.00 0.00 H new ATOM 0 HA3 GLY A 83 25.820 -0.832 -15.020 1.00 0.00 H new ATOM 1158 N GLY A 84 23.503 -1.567 -15.568 1.00 0.00 N ATOM 1159 CA GLY A 84 22.128 -1.839 -15.944 1.00 0.00 C ATOM 1160 C GLY A 84 21.784 -3.312 -15.856 1.00 0.00 C ATOM 1161 O GLY A 84 22.073 -4.081 -16.773 1.00 0.00 O ATOM 0 H GLY A 84 24.195 -1.792 -16.283 1.00 0.00 H new ATOM 0 HA2 GLY A 84 21.459 -1.273 -15.296 1.00 0.00 H new ATOM 0 HA3 GLY A 84 21.957 -1.489 -16.962 1.00 0.00 H new ATOM 1165 N SER A 85 21.165 -3.709 -14.748 1.00 0.00 N ATOM 1166 CA SER A 85 20.786 -5.101 -14.541 1.00 0.00 C ATOM 1167 C SER A 85 19.713 -5.217 -13.462 1.00 0.00 C ATOM 1168 O SER A 85 19.948 -5.735 -12.370 1.00 0.00 O ATOM 1169 CB SER A 85 22.010 -5.933 -14.150 1.00 0.00 C ATOM 1170 OG SER A 85 22.715 -6.371 -15.298 1.00 0.00 O ATOM 0 H SER A 85 20.916 -3.086 -13.980 1.00 0.00 H new ATOM 0 HA SER A 85 20.379 -5.484 -15.477 1.00 0.00 H new ATOM 0 HB2 SER A 85 22.671 -5.339 -13.518 1.00 0.00 H new ATOM 0 HB3 SER A 85 21.695 -6.795 -13.562 1.00 0.00 H new ATOM 0 HG SER A 85 22.571 -5.738 -16.032 1.00 0.00 H new ATOM 1176 N PRO A 86 18.506 -4.724 -13.774 1.00 0.00 N ATOM 1177 CA PRO A 86 17.371 -4.761 -12.846 1.00 0.00 C ATOM 1178 C PRO A 86 16.846 -6.175 -12.629 1.00 0.00 C ATOM 1179 O PRO A 86 17.195 -7.111 -13.349 1.00 0.00 O ATOM 1180 CB PRO A 86 16.315 -3.899 -13.543 1.00 0.00 C ATOM 1181 CG PRO A 86 16.656 -3.979 -14.991 1.00 0.00 C ATOM 1182 CD PRO A 86 18.154 -4.094 -15.058 1.00 0.00 C ATOM 0 HA PRO A 86 17.644 -4.404 -11.853 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.309 -4.273 -13.352 1.00 0.00 H new ATOM 0 HB3 PRO A 86 16.345 -2.870 -13.185 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.177 -4.840 -15.458 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.308 -3.094 -15.523 1.00 0.00 H new ATOM 0 HD2 PRO A 86 18.473 -4.702 -15.905 1.00 0.00 H new ATOM 0 HD3 PRO A 86 18.627 -3.119 -15.170 1.00 0.00 H new ATOM 1190 N PRO A 87 15.986 -6.338 -11.612 1.00 0.00 N ATOM 1191 CA PRO A 87 15.393 -7.636 -11.277 1.00 0.00 C ATOM 1192 C PRO A 87 14.392 -8.105 -12.328 1.00 0.00 C ATOM 1193 O PRO A 87 13.976 -7.348 -13.205 1.00 0.00 O ATOM 1194 CB PRO A 87 14.685 -7.370 -9.946 1.00 0.00 C ATOM 1195 CG PRO A 87 14.395 -5.909 -9.957 1.00 0.00 C ATOM 1196 CD PRO A 87 15.526 -5.267 -10.712 1.00 0.00 C ATOM 0 HA PRO A 87 16.143 -8.425 -11.226 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.769 -7.955 -9.861 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.317 -7.642 -9.100 1.00 0.00 H new ATOM 0 HG2 PRO A 87 13.439 -5.705 -10.439 1.00 0.00 H new ATOM 0 HG3 PRO A 87 14.331 -5.516 -8.942 1.00 0.00 H new ATOM 0 HD2 PRO A 87 15.192 -4.391 -11.268 1.00 0.00 H new ATOM 0 HD3 PRO A 87 16.320 -4.936 -10.042 1.00 0.00 H new ATOM 1204 N PRO A 88 13.994 -9.383 -12.239 1.00 0.00 N ATOM 1205 CA PRO A 88 13.036 -9.981 -13.174 1.00 0.00 C ATOM 1206 C PRO A 88 11.627 -9.427 -12.992 1.00 0.00 C ATOM 1207 O PRO A 88 11.322 -8.749 -12.011 1.00 0.00 O ATOM 1208 CB PRO A 88 13.076 -11.469 -12.818 1.00 0.00 C ATOM 1209 CG PRO A 88 13.514 -11.507 -11.395 1.00 0.00 C ATOM 1210 CD PRO A 88 14.449 -10.342 -11.218 1.00 0.00 C ATOM 0 HA PRO A 88 13.292 -9.770 -14.212 1.00 0.00 H new ATOM 0 HB2 PRO A 88 12.097 -11.932 -12.943 1.00 0.00 H new ATOM 0 HB3 PRO A 88 13.770 -12.011 -13.460 1.00 0.00 H new ATOM 0 HG2 PRO A 88 12.660 -11.428 -10.722 1.00 0.00 H new ATOM 0 HG3 PRO A 88 14.015 -12.448 -11.166 1.00 0.00 H new ATOM 0 HD2 PRO A 88 14.383 -9.922 -10.214 1.00 0.00 H new ATOM 0 HD3 PRO A 88 15.488 -10.633 -11.374 1.00 0.00 H new ATOM 1218 N PRO A 89 10.746 -9.721 -13.960 1.00 0.00 N ATOM 1219 CA PRO A 89 9.354 -9.263 -13.929 1.00 0.00 C ATOM 1220 C PRO A 89 8.540 -9.956 -12.841 1.00 0.00 C ATOM 1221 O PRO A 89 7.947 -11.010 -13.072 1.00 0.00 O ATOM 1222 CB PRO A 89 8.825 -9.641 -15.315 1.00 0.00 C ATOM 1223 CG PRO A 89 9.682 -10.779 -15.750 1.00 0.00 C ATOM 1224 CD PRO A 89 11.040 -10.524 -15.158 1.00 0.00 C ATOM 0 HA PRO A 89 9.280 -8.199 -13.705 1.00 0.00 H new ATOM 0 HB2 PRO A 89 7.775 -9.930 -15.273 1.00 0.00 H new ATOM 0 HB3 PRO A 89 8.897 -8.803 -16.008 1.00 0.00 H new ATOM 0 HG2 PRO A 89 9.276 -11.729 -15.401 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.734 -10.835 -16.837 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.548 -11.454 -14.903 1.00 0.00 H new ATOM 0 HD3 PRO A 89 11.687 -9.987 -15.852 1.00 0.00 H new ATOM 1232 N ALA A 90 8.515 -9.357 -11.655 1.00 0.00 N ATOM 1233 CA ALA A 90 7.771 -9.915 -10.533 1.00 0.00 C ATOM 1234 C ALA A 90 7.086 -8.817 -9.727 1.00 0.00 C ATOM 1235 O ALA A 90 5.901 -8.915 -9.407 1.00 0.00 O ATOM 1236 CB ALA A 90 8.696 -10.729 -9.640 1.00 0.00 C ATOM 0 H ALA A 90 9.002 -8.485 -11.447 1.00 0.00 H new ATOM 0 HA ALA A 90 6.998 -10.571 -10.932 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.127 -11.140 -8.806 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.135 -11.543 -10.217 1.00 0.00 H new ATOM 0 HB3 ALA A 90 9.490 -10.087 -9.257 1.00 0.00 H new ATOM 1242 N ASP A 91 7.839 -7.772 -9.401 1.00 0.00 N ATOM 1243 CA ASP A 91 7.304 -6.654 -8.633 1.00 0.00 C ATOM 1244 C ASP A 91 6.204 -5.937 -9.410 1.00 0.00 C ATOM 1245 O ASP A 91 5.835 -6.351 -10.508 1.00 0.00 O ATOM 1246 CB ASP A 91 8.420 -5.670 -8.279 1.00 0.00 C ATOM 1247 CG ASP A 91 9.292 -5.330 -9.471 1.00 0.00 C ATOM 1248 OD1 ASP A 91 8.736 -4.967 -10.529 1.00 0.00 O ATOM 1249 OD2 ASP A 91 10.531 -5.427 -9.346 1.00 0.00 O ATOM 0 H ASP A 91 8.822 -7.676 -9.657 1.00 0.00 H new ATOM 0 HA ASP A 91 6.874 -7.050 -7.713 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.981 -4.755 -7.881 1.00 0.00 H new ATOM 0 HB3 ASP A 91 9.039 -6.096 -7.489 1.00 0.00 H new ATOM 1254 N GLY A 92 5.684 -4.859 -8.831 1.00 0.00 N ATOM 1255 CA GLY A 92 4.631 -4.102 -9.484 1.00 0.00 C ATOM 1256 C GLY A 92 5.171 -3.103 -10.487 1.00 0.00 C ATOM 1257 O GLY A 92 6.304 -2.639 -10.363 1.00 0.00 O ATOM 0 H GLY A 92 5.973 -4.496 -7.922 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.954 -4.790 -9.990 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.046 -3.575 -8.730 1.00 0.00 H new ATOM 1261 N GLY A 93 4.359 -2.772 -11.487 1.00 0.00 N ATOM 1262 CA GLY A 93 4.781 -1.826 -12.503 1.00 0.00 C ATOM 1263 C GLY A 93 4.149 -0.460 -12.321 1.00 0.00 C ATOM 1264 O GLY A 93 4.604 0.338 -11.502 1.00 0.00 O ATOM 0 H GLY A 93 3.417 -3.142 -11.611 1.00 0.00 H new ATOM 0 HA2 GLY A 93 5.866 -1.728 -12.475 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.521 -2.215 -13.488 1.00 0.00 H new ATOM 1268 N SER A 94 3.098 -0.189 -13.088 1.00 0.00 N ATOM 1269 CA SER A 94 2.405 1.092 -13.012 1.00 0.00 C ATOM 1270 C SER A 94 3.387 2.250 -13.160 1.00 0.00 C ATOM 1271 O SER A 94 3.901 2.791 -12.181 1.00 0.00 O ATOM 1272 CB SER A 94 1.655 1.212 -11.684 1.00 0.00 C ATOM 1273 OG SER A 94 0.322 0.747 -11.807 1.00 0.00 O ATOM 0 H SER A 94 2.707 -0.840 -13.770 1.00 0.00 H new ATOM 0 HA SER A 94 1.688 1.139 -13.832 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.174 0.638 -10.916 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.652 2.252 -11.357 1.00 0.00 H new ATOM 0 HG SER A 94 -0.135 0.833 -10.944 1.00 0.00 H new ATOM 1279 N PRO A 95 3.656 2.640 -14.415 1.00 0.00 N ATOM 1280 CA PRO A 95 3.050 2.003 -15.589 1.00 0.00 C ATOM 1281 C PRO A 95 3.571 0.587 -15.813 1.00 0.00 C ATOM 1282 O PRO A 95 4.616 0.195 -15.292 1.00 0.00 O ATOM 1283 CB PRO A 95 3.469 2.916 -16.744 1.00 0.00 C ATOM 1284 CG PRO A 95 4.721 3.572 -16.273 1.00 0.00 C ATOM 1285 CD PRO A 95 4.571 3.733 -14.786 1.00 0.00 C ATOM 0 HA PRO A 95 1.971 1.895 -15.483 1.00 0.00 H new ATOM 0 HB2 PRO A 95 3.640 2.346 -17.657 1.00 0.00 H new ATOM 0 HB3 PRO A 95 2.696 3.652 -16.967 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.594 2.965 -16.514 1.00 0.00 H new ATOM 0 HG3 PRO A 95 4.861 4.538 -16.758 1.00 0.00 H new ATOM 0 HD2 PRO A 95 5.529 3.646 -14.274 1.00 0.00 H new ATOM 0 HD3 PRO A 95 4.158 4.708 -14.527 1.00 0.00 H new ATOM 1293 N PRO A 96 2.828 -0.199 -16.606 1.00 0.00 N ATOM 1294 CA PRO A 96 3.197 -1.583 -16.918 1.00 0.00 C ATOM 1295 C PRO A 96 4.424 -1.667 -17.819 1.00 0.00 C ATOM 1296 O PRO A 96 4.344 -1.411 -19.020 1.00 0.00 O ATOM 1297 CB PRO A 96 1.962 -2.124 -17.644 1.00 0.00 C ATOM 1298 CG PRO A 96 1.307 -0.919 -18.225 1.00 0.00 C ATOM 1299 CD PRO A 96 1.572 0.203 -17.260 1.00 0.00 C ATOM 0 HA PRO A 96 3.463 -2.146 -16.023 1.00 0.00 H new ATOM 0 HB2 PRO A 96 2.240 -2.837 -18.420 1.00 0.00 H new ATOM 0 HB3 PRO A 96 1.295 -2.645 -16.957 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.714 -0.691 -19.210 1.00 0.00 H new ATOM 0 HG3 PRO A 96 0.236 -1.080 -18.352 1.00 0.00 H new ATOM 0 HD2 PRO A 96 1.674 1.159 -17.774 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.761 0.313 -16.540 1.00 0.00 H new ATOM 1307 N VAL A 97 5.560 -2.029 -17.231 1.00 0.00 N ATOM 1308 CA VAL A 97 6.805 -2.149 -17.981 1.00 0.00 C ATOM 1309 C VAL A 97 7.056 -3.592 -18.402 1.00 0.00 C ATOM 1310 O VAL A 97 6.854 -4.522 -17.620 1.00 0.00 O ATOM 1311 CB VAL A 97 8.007 -1.649 -17.158 1.00 0.00 C ATOM 1312 CG1 VAL A 97 7.826 -0.185 -16.783 1.00 0.00 C ATOM 1313 CG2 VAL A 97 8.195 -2.506 -15.916 1.00 0.00 C ATOM 0 H VAL A 97 5.644 -2.244 -16.238 1.00 0.00 H new ATOM 0 HA VAL A 97 6.700 -1.527 -18.870 1.00 0.00 H new ATOM 0 HB VAL A 97 8.905 -1.734 -17.770 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.685 0.151 -16.202 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.744 0.415 -17.689 1.00 0.00 H new ATOM 0 HG13 VAL A 97 6.919 -0.071 -16.189 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.049 -2.139 -15.346 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.298 -2.455 -15.299 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.374 -3.540 -16.211 1.00 0.00 H new ATOM 1323 N ASP A 98 7.499 -3.773 -19.641 1.00 0.00 N ATOM 1324 CA ASP A 98 7.780 -5.104 -20.166 1.00 0.00 C ATOM 1325 C ASP A 98 8.636 -5.022 -21.426 1.00 0.00 C ATOM 1326 O ASP A 98 8.851 -3.941 -21.973 1.00 0.00 O ATOM 1327 CB ASP A 98 6.475 -5.843 -20.468 1.00 0.00 C ATOM 1328 CG ASP A 98 5.497 -4.992 -21.253 1.00 0.00 C ATOM 1329 OD1 ASP A 98 5.752 -4.747 -22.451 1.00 0.00 O ATOM 1330 OD2 ASP A 98 4.476 -4.569 -20.670 1.00 0.00 O ATOM 0 H ASP A 98 7.671 -3.015 -20.301 1.00 0.00 H new ATOM 0 HA ASP A 98 8.334 -5.657 -19.407 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.696 -6.750 -21.031 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.012 -6.154 -19.532 1.00 0.00 H new ATOM 1335 N GLY A 99 9.123 -6.173 -21.881 1.00 0.00 N ATOM 1336 CA GLY A 99 9.951 -6.208 -23.073 1.00 0.00 C ATOM 1337 C GLY A 99 10.844 -7.432 -23.122 1.00 0.00 C ATOM 1338 O GLY A 99 10.889 -8.215 -22.173 1.00 0.00 O ATOM 0 H GLY A 99 8.959 -7.081 -21.446 1.00 0.00 H new ATOM 0 HA2 GLY A 99 9.312 -6.192 -23.956 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.568 -5.310 -23.110 1.00 0.00 H new ATOM 1342 N GLY A 100 11.556 -7.599 -24.232 1.00 0.00 N ATOM 1343 CA GLY A 100 12.441 -8.740 -24.381 1.00 0.00 C ATOM 1344 C GLY A 100 13.903 -8.341 -24.387 1.00 0.00 C ATOM 1345 O GLY A 100 14.467 -8.006 -23.345 1.00 0.00 O ATOM 0 H GLY A 100 11.536 -6.965 -25.031 1.00 0.00 H new ATOM 0 HA2 GLY A 100 12.263 -9.443 -23.568 1.00 0.00 H new ATOM 0 HA3 GLY A 100 12.205 -9.260 -25.309 1.00 0.00 H new ATOM 1349 N SER A 101 14.521 -8.380 -25.564 1.00 0.00 N ATOM 1350 CA SER A 101 15.929 -8.026 -25.700 1.00 0.00 C ATOM 1351 C SER A 101 16.798 -8.895 -24.797 1.00 0.00 C ATOM 1352 O SER A 101 17.367 -8.433 -23.808 1.00 0.00 O ATOM 1353 CB SER A 101 16.140 -6.549 -25.362 1.00 0.00 C ATOM 1354 OG SER A 101 17.437 -6.120 -25.738 1.00 0.00 O ATOM 0 H SER A 101 14.069 -8.653 -26.436 1.00 0.00 H new ATOM 0 HA SER A 101 16.223 -8.201 -26.735 1.00 0.00 H new ATOM 0 HB2 SER A 101 15.391 -5.945 -25.874 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.998 -6.394 -24.293 1.00 0.00 H new ATOM 0 HG SER A 101 17.546 -5.172 -25.513 1.00 0.00 H new ATOM 1360 N PRO A 102 16.903 -10.187 -25.143 1.00 0.00 N ATOM 1361 CA PRO A 102 17.701 -11.149 -24.377 1.00 0.00 C ATOM 1362 C PRO A 102 19.198 -10.892 -24.505 1.00 0.00 C ATOM 1363 O PRO A 102 19.649 -10.108 -25.340 1.00 0.00 O ATOM 1364 CB PRO A 102 17.334 -12.495 -25.008 1.00 0.00 C ATOM 1365 CG PRO A 102 16.903 -12.159 -26.394 1.00 0.00 C ATOM 1366 CD PRO A 102 16.251 -10.807 -26.309 1.00 0.00 C ATOM 0 HA PRO A 102 17.493 -11.092 -23.308 1.00 0.00 H new ATOM 0 HB2 PRO A 102 18.186 -13.175 -25.012 1.00 0.00 H new ATOM 0 HB3 PRO A 102 16.535 -12.987 -24.453 1.00 0.00 H new ATOM 0 HG2 PRO A 102 17.755 -12.139 -27.074 1.00 0.00 H new ATOM 0 HG3 PRO A 102 16.207 -12.905 -26.778 1.00 0.00 H new ATOM 0 HD2 PRO A 102 16.413 -10.225 -27.216 1.00 0.00 H new ATOM 0 HD3 PRO A 102 15.173 -10.889 -26.170 1.00 0.00 H new ATOM 1374 N PRO A 103 19.990 -11.568 -23.658 1.00 0.00 N ATOM 1375 CA PRO A 103 19.464 -12.504 -22.660 1.00 0.00 C ATOM 1376 C PRO A 103 18.708 -11.794 -21.542 1.00 0.00 C ATOM 1377 O PRO A 103 18.766 -10.573 -21.398 1.00 0.00 O ATOM 1378 CB PRO A 103 20.723 -13.179 -22.110 1.00 0.00 C ATOM 1379 CG PRO A 103 21.814 -12.191 -22.340 1.00 0.00 C ATOM 1380 CD PRO A 103 21.458 -11.469 -23.610 1.00 0.00 C ATOM 0 HA PRO A 103 18.745 -13.200 -23.092 1.00 0.00 H new ATOM 0 HB2 PRO A 103 20.617 -13.412 -21.050 1.00 0.00 H new ATOM 0 HB3 PRO A 103 20.925 -14.119 -22.624 1.00 0.00 H new ATOM 0 HG2 PRO A 103 21.893 -11.495 -21.505 1.00 0.00 H new ATOM 0 HG3 PRO A 103 22.779 -12.690 -22.432 1.00 0.00 H new ATOM 0 HD2 PRO A 103 21.790 -10.431 -23.589 1.00 0.00 H new ATOM 0 HD3 PRO A 103 21.921 -11.934 -24.480 1.00 0.00 H new ATOM 1388 N PRO A 104 17.982 -12.576 -20.729 1.00 0.00 N ATOM 1389 CA PRO A 104 17.201 -12.044 -19.608 1.00 0.00 C ATOM 1390 C PRO A 104 18.086 -11.526 -18.480 1.00 0.00 C ATOM 1391 O PRO A 104 19.293 -11.768 -18.443 1.00 0.00 O ATOM 1392 CB PRO A 104 16.387 -13.252 -19.138 1.00 0.00 C ATOM 1393 CG PRO A 104 17.187 -14.435 -19.560 1.00 0.00 C ATOM 1394 CD PRO A 104 17.867 -14.040 -20.841 1.00 0.00 C ATOM 0 HA PRO A 104 16.591 -11.191 -19.905 1.00 0.00 H new ATOM 0 HB2 PRO A 104 16.243 -13.236 -18.058 1.00 0.00 H new ATOM 0 HB3 PRO A 104 15.396 -13.262 -19.591 1.00 0.00 H new ATOM 0 HG2 PRO A 104 17.918 -14.704 -18.797 1.00 0.00 H new ATOM 0 HG3 PRO A 104 16.548 -15.305 -19.710 1.00 0.00 H new ATOM 0 HD2 PRO A 104 18.844 -14.513 -20.940 1.00 0.00 H new ATOM 0 HD3 PRO A 104 17.282 -14.332 -21.713 1.00 0.00 H new ATOM 1402 N PRO A 105 17.475 -10.795 -17.535 1.00 0.00 N ATOM 1403 CA PRO A 105 18.189 -10.229 -16.387 1.00 0.00 C ATOM 1404 C PRO A 105 18.646 -11.300 -15.402 1.00 0.00 C ATOM 1405 O PRO A 105 18.240 -12.458 -15.498 1.00 0.00 O ATOM 1406 CB PRO A 105 17.147 -9.314 -15.737 1.00 0.00 C ATOM 1407 CG PRO A 105 15.834 -9.889 -16.142 1.00 0.00 C ATOM 1408 CD PRO A 105 16.040 -10.467 -17.515 1.00 0.00 C ATOM 0 HA PRO A 105 19.101 -9.713 -16.688 1.00 0.00 H new ATOM 0 HB2 PRO A 105 17.255 -9.299 -14.652 1.00 0.00 H new ATOM 0 HB3 PRO A 105 17.252 -8.286 -16.082 1.00 0.00 H new ATOM 0 HG2 PRO A 105 15.511 -10.658 -15.440 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.059 -9.122 -16.154 1.00 0.00 H new ATOM 0 HD2 PRO A 105 15.423 -11.351 -17.675 1.00 0.00 H new ATOM 0 HD3 PRO A 105 15.780 -9.752 -18.295 1.00 0.00 H new ATOM 1416 N SER A 106 19.491 -10.905 -14.456 1.00 0.00 N ATOM 1417 CA SER A 106 20.006 -11.833 -13.455 1.00 0.00 C ATOM 1418 C SER A 106 18.864 -12.493 -12.689 1.00 0.00 C ATOM 1419 O SER A 106 17.814 -11.888 -12.471 1.00 0.00 O ATOM 1420 CB SER A 106 20.933 -11.103 -12.482 1.00 0.00 C ATOM 1421 OG SER A 106 21.125 -11.857 -11.297 1.00 0.00 O ATOM 0 H SER A 106 19.834 -9.949 -14.361 1.00 0.00 H new ATOM 0 HA SER A 106 20.571 -12.609 -13.971 1.00 0.00 H new ATOM 0 HB2 SER A 106 21.895 -10.920 -12.960 1.00 0.00 H new ATOM 0 HB3 SER A 106 20.510 -10.130 -12.233 1.00 0.00 H new ATOM 0 HG SER A 106 21.723 -11.370 -10.692 1.00 0.00 H new ATOM 1427 N THR A 107 19.076 -13.741 -12.281 1.00 0.00 N ATOM 1428 CA THR A 107 18.066 -14.485 -11.540 1.00 0.00 C ATOM 1429 C THR A 107 18.710 -15.457 -10.558 1.00 0.00 C ATOM 1430 O THR A 107 18.528 -15.342 -9.345 1.00 0.00 O ATOM 1431 CB THR A 107 17.138 -15.269 -12.487 1.00 0.00 C ATOM 1432 OG1 THR A 107 16.900 -14.510 -13.678 1.00 0.00 O ATOM 1433 CG2 THR A 107 15.814 -15.585 -11.808 1.00 0.00 C ATOM 0 H THR A 107 19.939 -14.257 -12.452 1.00 0.00 H new ATOM 0 HA THR A 107 17.475 -13.753 -10.989 1.00 0.00 H new ATOM 0 HB THR A 107 17.628 -16.207 -12.746 1.00 0.00 H new ATOM 0 HG1 THR A 107 16.311 -15.016 -14.276 1.00 0.00 H new ATOM 0 HG21 THR A 107 15.175 -16.139 -12.496 1.00 0.00 H new ATOM 0 HG22 THR A 107 15.996 -16.187 -10.918 1.00 0.00 H new ATOM 0 HG23 THR A 107 15.320 -14.656 -11.523 1.00 0.00 H new ATOM 1441 N HIS A 108 19.463 -16.415 -11.089 1.00 0.00 N ATOM 1442 CA HIS A 108 20.136 -17.408 -10.258 1.00 0.00 C ATOM 1443 C HIS A 108 21.605 -17.047 -10.063 1.00 0.00 C ATOM 1444 O HIS A 108 22.205 -17.379 -9.039 1.00 0.00 O ATOM 1445 CB HIS A 108 20.019 -18.796 -10.889 1.00 0.00 C ATOM 1446 CG HIS A 108 19.609 -19.861 -9.920 1.00 0.00 C ATOM 1447 ND1 HIS A 108 18.483 -20.640 -10.089 1.00 0.00 N ATOM 1448 CD2 HIS A 108 20.182 -20.278 -8.767 1.00 0.00 C ATOM 1449 CE1 HIS A 108 18.381 -21.488 -9.081 1.00 0.00 C ATOM 1450 NE2 HIS A 108 19.400 -21.289 -8.265 1.00 0.00 N ATOM 0 H HIS A 108 19.623 -16.525 -12.090 1.00 0.00 H new ATOM 0 HA HIS A 108 19.650 -17.419 -9.282 1.00 0.00 H new ATOM 0 HB2 HIS A 108 19.294 -18.757 -11.702 1.00 0.00 H new ATOM 0 HB3 HIS A 108 20.978 -19.067 -11.331 1.00 0.00 H new ATOM 0 HD2 HIS A 108 21.086 -19.888 -8.324 1.00 0.00 H new ATOM 0 HE1 HIS A 108 17.598 -22.219 -8.947 1.00 0.00 H new ATOM 0 HE2 HIS A 108 19.577 -21.803 -7.402 1.00 0.00 H new TER 1458 HIS A 108