USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 897 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 36 HIS : no HD1:sc= -6.29! C(o=-7.2!,f=-5.5!) USER MOD Set 1.2: A 109 CYS SG : rot 130:sc= -0.865 USER MOD Set 2.1: A 10 TYR OH : rot 37:sc= 0.0219 USER MOD Set 2.2: A 101 GLN : amide:sc= -0.14 K(o=-0.12,f=-2.4!) USER MOD Set 3.1: A 73 THR OG1 : rot -150:sc= 0.0244 USER MOD Set 3.2: A 94 GLN : amide:sc= -0.379 K(o=-0.35,f=1.4) USER MOD Set 4.1: A 41 TYR OH : rot -164:sc= 1.37 USER MOD Set 4.2: A 49 CYS SG : rot 120:sc= 0.438 USER MOD Set 5.1: A 16 LYS NZ :NH3+ -119:sc= 0.289 (180deg=0) USER MOD Set 5.2: A 40 TYR OH : rot 180:sc= -0.763 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 23:sc= 0.0975 USER MOD Single : A 5 SER OG : rot 45:sc= 0.0667 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -75:sc= 1.01 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 43 HIS : no HD1:sc= -0.547 X(o=-0.55,f=-0.37) USER MOD Single : A 45 MET CE :methyl -125:sc=-0.000949 (180deg=-0.215) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.031 USER MOD Single : A 67 THR OG1 : rot 180:sc=0.000758 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 165:sc= -0.0221 (180deg=-0.299) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 46:sc= 0.645 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.749 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.0129 X(o=-0.013,f=-0.17) USER MOD Single : A 92 CYS SG : rot -175:sc= -0.965 USER MOD Single : A 98 SER OG : rot -159:sc= -2.44 USER MOD Single : A 100 GLN : amide:sc= -0.0609 K(o=-0.061,f=-1.2) USER MOD Single : A 107 GLN : amide:sc= -2.07! C(o=-2.1!,f=-4!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 51:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.702 -13.815 -1.374 1.00 0.00 N ATOM 2 CA GLY A 1 -4.440 -12.631 -1.779 1.00 0.00 C ATOM 3 C GLY A 1 -5.384 -12.945 -2.942 1.00 0.00 C ATOM 4 O GLY A 1 -6.581 -13.143 -2.739 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.069 -13.576 -0.584 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.369 -14.553 -1.072 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.139 -14.164 -2.176 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.013 -12.248 -0.934 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.743 -11.846 -2.073 1.00 0.00 H new ATOM 8 N SER A 2 -4.809 -12.980 -4.135 1.00 0.00 N ATOM 9 CA SER A 2 -5.584 -13.267 -5.331 1.00 0.00 C ATOM 10 C SER A 2 -4.939 -14.415 -6.109 1.00 0.00 C ATOM 11 O SER A 2 -3.765 -14.722 -5.911 1.00 0.00 O ATOM 12 CB SER A 2 -5.706 -12.027 -6.218 1.00 0.00 C ATOM 13 OG SER A 2 -6.615 -11.071 -5.679 1.00 0.00 O ATOM 0 H SER A 2 -3.816 -12.815 -4.299 1.00 0.00 H new ATOM 0 HA SER A 2 -6.588 -13.562 -5.026 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.725 -11.568 -6.335 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.040 -12.324 -7.212 1.00 0.00 H new ATOM 0 HG SER A 2 -6.663 -10.294 -6.274 1.00 0.00 H new ATOM 19 N SER A 3 -5.736 -15.019 -6.979 1.00 0.00 N ATOM 20 CA SER A 3 -5.258 -16.127 -7.788 1.00 0.00 C ATOM 21 C SER A 3 -5.019 -15.661 -9.225 1.00 0.00 C ATOM 22 O SER A 3 -5.893 -15.049 -9.837 1.00 0.00 O ATOM 23 CB SER A 3 -6.249 -17.293 -7.766 1.00 0.00 C ATOM 24 OG SER A 3 -7.441 -16.994 -8.488 1.00 0.00 O ATOM 0 H SER A 3 -6.710 -14.762 -7.141 1.00 0.00 H new ATOM 0 HA SER A 3 -4.316 -16.478 -7.365 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.778 -18.178 -8.195 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.501 -17.535 -6.734 1.00 0.00 H new ATOM 0 HG SER A 3 -7.260 -16.284 -9.139 1.00 0.00 H new ATOM 30 N GLY A 4 -3.830 -15.967 -9.723 1.00 0.00 N ATOM 31 CA GLY A 4 -3.464 -15.586 -11.076 1.00 0.00 C ATOM 32 C GLY A 4 -1.958 -15.733 -11.299 1.00 0.00 C ATOM 33 O GLY A 4 -1.339 -16.666 -10.791 1.00 0.00 O ATOM 0 H GLY A 4 -3.107 -16.475 -9.213 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.003 -16.207 -11.791 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.763 -14.554 -11.261 1.00 0.00 H new ATOM 37 N SER A 5 -1.411 -14.796 -12.060 1.00 0.00 N ATOM 38 CA SER A 5 0.012 -14.809 -12.357 1.00 0.00 C ATOM 39 C SER A 5 0.460 -13.425 -12.831 1.00 0.00 C ATOM 40 O SER A 5 1.340 -12.813 -12.227 1.00 0.00 O ATOM 41 CB SER A 5 0.345 -15.865 -13.412 1.00 0.00 C ATOM 42 OG SER A 5 0.943 -17.024 -12.838 1.00 0.00 O ATOM 0 H SER A 5 -1.927 -14.023 -12.480 1.00 0.00 H new ATOM 0 HA SER A 5 0.550 -15.065 -11.444 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.565 -16.150 -13.939 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.021 -15.437 -14.152 1.00 0.00 H new ATOM 0 HG SER A 5 0.446 -17.285 -12.035 1.00 0.00 H new ATOM 48 N SER A 6 -0.165 -12.972 -13.908 1.00 0.00 N ATOM 49 CA SER A 6 0.158 -11.672 -14.470 1.00 0.00 C ATOM 50 C SER A 6 0.292 -10.637 -13.351 1.00 0.00 C ATOM 51 O SER A 6 -0.386 -10.731 -12.329 1.00 0.00 O ATOM 52 CB SER A 6 -0.903 -11.228 -15.478 1.00 0.00 C ATOM 53 OG SER A 6 -1.039 -12.155 -16.552 1.00 0.00 O ATOM 0 H SER A 6 -0.894 -13.483 -14.406 1.00 0.00 H new ATOM 0 HA SER A 6 1.109 -11.754 -14.997 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.861 -11.117 -14.971 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.638 -10.248 -15.876 1.00 0.00 H new ATOM 0 HG SER A 6 -1.727 -11.837 -17.173 1.00 0.00 H new ATOM 59 N GLY A 7 1.172 -9.673 -13.582 1.00 0.00 N ATOM 60 CA GLY A 7 1.404 -8.622 -12.606 1.00 0.00 C ATOM 61 C GLY A 7 0.485 -7.425 -12.861 1.00 0.00 C ATOM 62 O GLY A 7 0.418 -6.917 -13.979 1.00 0.00 O ATOM 0 H GLY A 7 1.733 -9.598 -14.431 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.233 -9.009 -11.602 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.445 -8.302 -12.651 1.00 0.00 H new ATOM 66 N ARG A 8 -0.200 -7.010 -11.805 1.00 0.00 N ATOM 67 CA ARG A 8 -1.111 -5.883 -11.901 1.00 0.00 C ATOM 68 C ARG A 8 -1.578 -5.459 -10.507 1.00 0.00 C ATOM 69 O ARG A 8 -2.075 -6.280 -9.737 1.00 0.00 O ATOM 70 CB ARG A 8 -2.332 -6.232 -12.755 1.00 0.00 C ATOM 71 CG ARG A 8 -2.208 -5.633 -14.157 1.00 0.00 C ATOM 72 CD ARG A 8 -3.588 -5.346 -14.754 1.00 0.00 C ATOM 73 NE ARG A 8 -4.174 -6.592 -15.296 1.00 0.00 N ATOM 74 CZ ARG A 8 -3.811 -7.148 -16.461 1.00 0.00 C ATOM 75 NH1 ARG A 8 -2.863 -6.572 -17.211 1.00 0.00 N ATOM 76 NH2 ARG A 8 -4.397 -8.280 -16.874 1.00 0.00 N ATOM 0 H ARG A 8 -0.142 -7.434 -10.879 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.573 -5.062 -12.375 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.434 -7.315 -12.826 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -3.236 -5.858 -12.274 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.628 -4.711 -14.113 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.664 -6.321 -14.804 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.244 -4.928 -13.990 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.503 -4.600 -15.544 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.899 -7.057 -14.750 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.417 -5.710 -16.896 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -2.587 -6.995 -18.097 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.119 -8.719 -16.302 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.121 -8.703 -17.760 1.00 0.00 H new ATOM 90 N SER A 9 -1.402 -4.176 -10.224 1.00 0.00 N ATOM 91 CA SER A 9 -1.799 -3.633 -8.936 1.00 0.00 C ATOM 92 C SER A 9 -2.856 -2.544 -9.131 1.00 0.00 C ATOM 93 O SER A 9 -3.391 -2.382 -10.226 1.00 0.00 O ATOM 94 CB SER A 9 -0.593 -3.073 -8.179 1.00 0.00 C ATOM 95 OG SER A 9 0.557 -2.965 -9.013 1.00 0.00 O ATOM 0 H SER A 9 -0.990 -3.497 -10.864 1.00 0.00 H new ATOM 0 HA SER A 9 -2.224 -4.441 -8.340 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.842 -2.091 -7.776 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.366 -3.718 -7.330 1.00 0.00 H new ATOM 0 HG SER A 9 1.305 -2.602 -8.494 1.00 0.00 H new ATOM 101 N TYR A 10 -3.126 -1.825 -8.051 1.00 0.00 N ATOM 102 CA TYR A 10 -4.109 -0.757 -8.089 1.00 0.00 C ATOM 103 C TYR A 10 -3.448 0.605 -7.867 1.00 0.00 C ATOM 104 O TYR A 10 -2.745 0.804 -6.877 1.00 0.00 O ATOM 105 CB TYR A 10 -5.078 -1.033 -6.938 1.00 0.00 C ATOM 106 CG TYR A 10 -6.405 -0.280 -7.047 1.00 0.00 C ATOM 107 CD1 TYR A 10 -7.333 -0.649 -8.000 1.00 0.00 C ATOM 108 CD2 TYR A 10 -6.675 0.769 -6.192 1.00 0.00 C ATOM 109 CE1 TYR A 10 -8.582 0.060 -8.102 1.00 0.00 C ATOM 110 CE2 TYR A 10 -7.924 1.479 -6.294 1.00 0.00 C ATOM 111 CZ TYR A 10 -8.816 1.089 -7.244 1.00 0.00 C ATOM 112 OH TYR A 10 -9.995 1.758 -7.341 1.00 0.00 O ATOM 0 H TYR A 10 -2.680 -1.962 -7.144 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.608 -0.730 -9.058 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.282 -2.103 -6.897 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.596 -0.764 -5.998 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.122 -1.470 -8.669 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.949 1.058 -5.446 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -9.316 -0.219 -8.843 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.147 2.302 -5.631 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.712 1.127 -7.562 1.00 0.00 H new ATOM 122 N GLU A 11 -3.697 1.508 -8.805 1.00 0.00 N ATOM 123 CA GLU A 11 -3.134 2.845 -8.724 1.00 0.00 C ATOM 124 C GLU A 11 -4.250 3.892 -8.741 1.00 0.00 C ATOM 125 O GLU A 11 -5.254 3.724 -9.432 1.00 0.00 O ATOM 126 CB GLU A 11 -2.136 3.089 -9.857 1.00 0.00 C ATOM 127 CG GLU A 11 -2.755 2.754 -11.215 1.00 0.00 C ATOM 128 CD GLU A 11 -2.580 1.271 -11.547 1.00 0.00 C ATOM 129 OE1 GLU A 11 -1.516 0.938 -12.112 1.00 0.00 O ATOM 130 OE2 GLU A 11 -3.514 0.504 -11.228 1.00 0.00 O ATOM 0 H GLU A 11 -4.281 1.340 -9.624 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.593 2.934 -7.782 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.816 4.131 -9.846 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.246 2.481 -9.699 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.815 3.006 -11.207 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.289 3.361 -11.991 1.00 0.00 H new ATOM 137 N GLY A 12 -4.037 4.950 -7.972 1.00 0.00 N ATOM 138 CA GLY A 12 -5.012 6.024 -7.890 1.00 0.00 C ATOM 139 C GLY A 12 -4.491 7.172 -7.023 1.00 0.00 C ATOM 140 O GLY A 12 -3.714 6.952 -6.095 1.00 0.00 O ATOM 0 H GLY A 12 -3.203 5.086 -7.400 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.237 6.393 -8.891 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.944 5.643 -7.473 1.00 0.00 H new ATOM 144 N ILE A 13 -4.940 8.374 -7.356 1.00 0.00 N ATOM 145 CA ILE A 13 -4.529 9.557 -6.620 1.00 0.00 C ATOM 146 C ILE A 13 -4.718 9.310 -5.121 1.00 0.00 C ATOM 147 O ILE A 13 -5.717 8.726 -4.705 1.00 0.00 O ATOM 148 CB ILE A 13 -5.267 10.793 -7.137 1.00 0.00 C ATOM 149 CG1 ILE A 13 -4.600 11.341 -8.400 1.00 0.00 C ATOM 150 CG2 ILE A 13 -5.388 11.857 -6.044 1.00 0.00 C ATOM 151 CD1 ILE A 13 -3.517 12.363 -8.048 1.00 0.00 C ATOM 0 H ILE A 13 -5.585 8.553 -8.126 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.470 9.757 -6.780 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.280 10.497 -7.411 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.161 10.521 -8.969 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.350 11.806 -9.039 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.917 12.725 -6.438 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.941 11.449 -5.198 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.393 12.157 -5.716 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.058 12.737 -8.963 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.964 13.193 -7.501 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.756 11.888 -7.429 1.00 0.00 H new ATOM 163 N LEU A 14 -3.741 9.769 -4.352 1.00 0.00 N ATOM 164 CA LEU A 14 -3.787 9.605 -2.909 1.00 0.00 C ATOM 165 C LEU A 14 -3.028 10.756 -2.245 1.00 0.00 C ATOM 166 O LEU A 14 -1.829 10.923 -2.466 1.00 0.00 O ATOM 167 CB LEU A 14 -3.274 8.220 -2.510 1.00 0.00 C ATOM 168 CG LEU A 14 -4.331 7.119 -2.403 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.714 5.815 -1.892 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.510 7.572 -1.539 1.00 0.00 C ATOM 0 H LEU A 14 -2.914 10.254 -4.701 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.816 9.653 -2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.525 7.908 -3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.768 8.305 -1.548 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.721 6.922 -3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.486 5.049 -1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.936 5.486 -2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.280 5.980 -0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.247 6.771 -1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.155 7.814 -0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.969 8.455 -1.984 1.00 0.00 H new ATOM 182 N TYR A 15 -3.757 11.521 -1.446 1.00 0.00 N ATOM 183 CA TYR A 15 -3.168 12.652 -0.749 1.00 0.00 C ATOM 184 C TYR A 15 -2.463 12.199 0.531 1.00 0.00 C ATOM 185 O TYR A 15 -2.772 11.139 1.073 1.00 0.00 O ATOM 186 CB TYR A 15 -4.332 13.572 -0.378 1.00 0.00 C ATOM 187 CG TYR A 15 -4.965 14.288 -1.574 1.00 0.00 C ATOM 188 CD1 TYR A 15 -5.747 13.582 -2.465 1.00 0.00 C ATOM 189 CD2 TYR A 15 -4.753 15.639 -1.760 1.00 0.00 C ATOM 190 CE1 TYR A 15 -6.343 14.256 -3.590 1.00 0.00 C ATOM 191 CE2 TYR A 15 -5.348 16.312 -2.885 1.00 0.00 C ATOM 192 CZ TYR A 15 -6.114 15.588 -3.744 1.00 0.00 C ATOM 193 OH TYR A 15 -6.676 16.224 -4.807 1.00 0.00 O ATOM 0 H TYR A 15 -4.751 11.380 -1.266 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.428 13.148 -1.378 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.098 12.985 0.128 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.979 14.318 0.334 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.912 12.525 -2.319 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.141 16.191 -1.062 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.958 13.716 -4.295 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.189 17.369 -3.043 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.428 17.172 -4.789 1.00 0.00 H new ATOM 203 N LYS A 16 -1.529 13.026 0.978 1.00 0.00 N ATOM 204 CA LYS A 16 -0.778 12.725 2.185 1.00 0.00 C ATOM 205 C LYS A 16 -0.541 14.017 2.969 1.00 0.00 C ATOM 206 O LYS A 16 0.269 14.851 2.568 1.00 0.00 O ATOM 207 CB LYS A 16 0.507 11.970 1.841 1.00 0.00 C ATOM 208 CG LYS A 16 1.428 11.872 3.059 1.00 0.00 C ATOM 209 CD LYS A 16 2.477 10.774 2.867 1.00 0.00 C ATOM 210 CE LYS A 16 3.734 11.329 2.196 1.00 0.00 C ATOM 211 NZ LYS A 16 4.820 10.323 2.216 1.00 0.00 N ATOM 0 H LYS A 16 -1.275 13.904 0.526 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.348 12.059 2.833 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.261 10.970 1.485 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.026 12.479 1.028 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.924 12.829 3.222 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.837 11.663 3.951 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.737 10.341 3.833 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.061 9.970 2.260 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.510 11.610 1.167 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.059 12.234 2.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.630 10.697 2.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.478 9.452 2.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.116 10.112 1.242 1.00 0.00 H new ATOM 225 N LYS A 17 -1.263 14.142 4.073 1.00 0.00 N ATOM 226 CA LYS A 17 -1.142 15.319 4.917 1.00 0.00 C ATOM 227 C LYS A 17 0.331 15.720 5.016 1.00 0.00 C ATOM 228 O LYS A 17 1.217 14.869 4.948 1.00 0.00 O ATOM 229 CB LYS A 17 -1.805 15.075 6.274 1.00 0.00 C ATOM 230 CG LYS A 17 -2.329 16.383 6.871 1.00 0.00 C ATOM 231 CD LYS A 17 -3.203 16.115 8.098 1.00 0.00 C ATOM 232 CE LYS A 17 -3.872 17.401 8.587 1.00 0.00 C ATOM 233 NZ LYS A 17 -3.257 17.856 9.854 1.00 0.00 N ATOM 0 H LYS A 17 -1.934 13.448 4.403 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.674 16.162 4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.627 14.368 6.159 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.087 14.621 6.957 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.490 17.021 7.150 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.906 16.924 6.121 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.965 15.376 7.851 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.594 15.691 8.897 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.776 18.179 7.829 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.938 17.230 8.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.723 18.730 10.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.371 17.119 10.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.245 18.039 9.702 1.00 0.00 H new ATOM 247 N GLY A 18 0.549 17.018 5.175 1.00 0.00 N ATOM 248 CA GLY A 18 1.899 17.543 5.284 1.00 0.00 C ATOM 249 C GLY A 18 2.049 18.415 6.533 1.00 0.00 C ATOM 250 O GLY A 18 2.002 17.913 7.654 1.00 0.00 O ATOM 0 H GLY A 18 -0.188 17.721 5.231 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.611 16.719 5.324 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.138 18.129 4.396 1.00 0.00 H new ATOM 254 N ALA A 19 2.228 19.706 6.295 1.00 0.00 N ATOM 255 CA ALA A 19 2.386 20.652 7.386 1.00 0.00 C ATOM 256 C ALA A 19 2.497 22.068 6.816 1.00 0.00 C ATOM 257 O ALA A 19 3.598 22.596 6.668 1.00 0.00 O ATOM 258 CB ALA A 19 3.604 20.265 8.226 1.00 0.00 C ATOM 0 H ALA A 19 2.267 20.119 5.363 1.00 0.00 H new ATOM 0 HA ALA A 19 1.516 20.628 8.043 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.722 20.975 9.044 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.462 19.263 8.632 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.497 20.280 7.601 1.00 0.00 H new ATOM 264 N PHE A 20 1.342 22.641 6.510 1.00 0.00 N ATOM 265 CA PHE A 20 1.296 23.985 5.959 1.00 0.00 C ATOM 266 C PHE A 20 -0.133 24.371 5.574 1.00 0.00 C ATOM 267 O PHE A 20 -0.981 23.503 5.371 1.00 0.00 O ATOM 268 CB PHE A 20 2.168 23.982 4.702 1.00 0.00 C ATOM 269 CG PHE A 20 3.060 25.217 4.561 1.00 0.00 C ATOM 270 CD1 PHE A 20 3.703 25.720 5.649 1.00 0.00 C ATOM 271 CD2 PHE A 20 3.211 25.813 3.347 1.00 0.00 C ATOM 272 CE1 PHE A 20 4.531 26.866 5.518 1.00 0.00 C ATOM 273 CE2 PHE A 20 4.039 26.959 3.217 1.00 0.00 C ATOM 274 CZ PHE A 20 4.681 27.461 4.305 1.00 0.00 C ATOM 0 H PHE A 20 0.431 22.199 6.633 1.00 0.00 H new ATOM 0 HA PHE A 20 1.650 24.703 6.698 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.796 23.091 4.710 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.524 23.910 3.826 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.584 25.248 6.613 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.701 25.414 2.482 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.042 27.265 6.382 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.159 27.432 2.254 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.311 28.333 4.206 1.00 0.00 H new ATOM 284 N MET A 21 -0.357 25.674 5.485 1.00 0.00 N ATOM 285 CA MET A 21 -1.669 26.185 5.127 1.00 0.00 C ATOM 286 C MET A 21 -2.236 25.441 3.916 1.00 0.00 C ATOM 287 O MET A 21 -3.350 24.923 3.967 1.00 0.00 O ATOM 288 CB MET A 21 -1.565 27.678 4.808 1.00 0.00 C ATOM 289 CG MET A 21 -2.265 28.517 5.878 1.00 0.00 C ATOM 290 SD MET A 21 -1.068 29.123 7.057 1.00 0.00 S ATOM 291 CE MET A 21 -2.092 29.221 8.516 1.00 0.00 C ATOM 0 H MET A 21 0.348 26.391 5.655 1.00 0.00 H new ATOM 0 HA MET A 21 -2.342 26.031 5.971 1.00 0.00 H new ATOM 0 HB2 MET A 21 -0.516 27.967 4.742 1.00 0.00 H new ATOM 0 HB3 MET A 21 -2.012 27.877 3.834 1.00 0.00 H new ATOM 0 HG2 MET A 21 -2.786 29.354 5.413 1.00 0.00 H new ATOM 0 HG3 MET A 21 -3.018 27.916 6.388 1.00 0.00 H new ATOM 0 HE1 MET A 21 -1.498 29.585 9.354 1.00 0.00 H new ATOM 0 HE2 MET A 21 -2.920 29.906 8.334 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.484 28.232 8.752 1.00 0.00 H new ATOM 301 N LYS A 22 -1.443 25.413 2.855 1.00 0.00 N ATOM 302 CA LYS A 22 -1.852 24.741 1.633 1.00 0.00 C ATOM 303 C LYS A 22 -2.542 23.422 1.988 1.00 0.00 C ATOM 304 O LYS A 22 -2.383 22.913 3.096 1.00 0.00 O ATOM 305 CB LYS A 22 -0.661 24.577 0.688 1.00 0.00 C ATOM 306 CG LYS A 22 -0.370 25.880 -0.060 1.00 0.00 C ATOM 307 CD LYS A 22 0.957 25.794 -0.816 1.00 0.00 C ATOM 308 CE LYS A 22 1.961 26.818 -0.280 1.00 0.00 C ATOM 309 NZ LYS A 22 2.735 27.415 -1.392 1.00 0.00 N ATOM 0 H LYS A 22 -0.520 25.845 2.816 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.579 25.345 1.090 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.219 24.275 1.256 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.867 23.781 -0.028 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.179 26.090 -0.760 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.337 26.709 0.646 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.370 24.790 -0.720 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.786 25.968 -1.878 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.435 27.601 0.266 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.638 26.337 0.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.411 28.107 -1.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.252 26.667 -1.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.086 27.891 -2.050 1.00 0.00 H new ATOM 323 N PRO A 23 -3.314 22.894 1.000 1.00 0.00 N ATOM 324 CA PRO A 23 -4.029 21.644 1.197 1.00 0.00 C ATOM 325 C PRO A 23 -3.073 20.451 1.136 1.00 0.00 C ATOM 326 O PRO A 23 -1.930 20.588 0.704 1.00 0.00 O ATOM 327 CB PRO A 23 -5.082 21.618 0.102 1.00 0.00 C ATOM 328 CG PRO A 23 -4.622 22.620 -0.944 1.00 0.00 C ATOM 329 CD PRO A 23 -3.525 23.470 -0.325 1.00 0.00 C ATOM 0 HA PRO A 23 -4.494 21.575 2.180 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.174 20.620 -0.327 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.062 21.887 0.496 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.251 22.104 -1.830 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.455 23.246 -1.265 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.613 23.436 -0.921 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.824 24.516 -0.259 1.00 0.00 H new ATOM 337 N TRP A 24 -3.578 19.307 1.576 1.00 0.00 N ATOM 338 CA TRP A 24 -2.783 18.090 1.577 1.00 0.00 C ATOM 339 C TRP A 24 -2.187 17.914 0.179 1.00 0.00 C ATOM 340 O TRP A 24 -2.886 18.065 -0.821 1.00 0.00 O ATOM 341 CB TRP A 24 -3.619 16.890 2.027 1.00 0.00 C ATOM 342 CG TRP A 24 -4.214 17.036 3.429 1.00 0.00 C ATOM 343 CD1 TRP A 24 -4.247 18.131 4.201 1.00 0.00 C ATOM 344 CD2 TRP A 24 -4.863 16.003 4.199 1.00 0.00 C ATOM 345 NE1 TRP A 24 -4.868 17.880 5.408 1.00 0.00 N ATOM 346 CE2 TRP A 24 -5.255 16.545 5.406 1.00 0.00 C ATOM 347 CE3 TRP A 24 -5.112 14.655 3.886 1.00 0.00 C ATOM 348 CZ2 TRP A 24 -5.918 15.811 6.397 1.00 0.00 C ATOM 349 CZ3 TRP A 24 -5.775 13.935 4.887 1.00 0.00 C ATOM 350 CH2 TRP A 24 -6.176 14.466 6.107 1.00 0.00 C ATOM 0 H TRP A 24 -4.527 19.197 1.934 1.00 0.00 H new ATOM 0 HA TRP A 24 -1.967 18.162 2.296 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -4.429 16.737 1.314 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.996 15.996 1.999 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -3.839 19.089 3.915 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -5.016 18.551 6.162 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.815 14.210 2.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -6.214 16.258 7.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -5.990 12.894 4.698 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -6.685 13.844 6.828 1.00 0.00 H new ATOM 361 N LYS A 25 -0.901 17.595 0.155 1.00 0.00 N ATOM 362 CA LYS A 25 -0.203 17.396 -1.103 1.00 0.00 C ATOM 363 C LYS A 25 -0.728 16.128 -1.778 1.00 0.00 C ATOM 364 O LYS A 25 -0.727 15.055 -1.177 1.00 0.00 O ATOM 365 CB LYS A 25 1.311 17.393 -0.881 1.00 0.00 C ATOM 366 CG LYS A 25 1.924 18.743 -1.258 1.00 0.00 C ATOM 367 CD LYS A 25 2.078 18.871 -2.775 1.00 0.00 C ATOM 368 CE LYS A 25 3.176 19.875 -3.132 1.00 0.00 C ATOM 369 NZ LYS A 25 4.426 19.170 -3.492 1.00 0.00 N ATOM 0 H LYS A 25 -0.325 17.470 0.987 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.401 18.224 -1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.528 17.170 0.164 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.768 16.603 -1.477 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.294 19.550 -0.884 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.898 18.851 -0.780 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.317 17.898 -3.203 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.133 19.189 -3.215 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.850 20.498 -3.965 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.357 20.540 -2.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.161 19.866 -3.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.744 18.594 -2.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.253 18.553 -4.311 1.00 0.00 H new ATOM 383 N ALA A 26 -1.165 16.293 -3.018 1.00 0.00 N ATOM 384 CA ALA A 26 -1.692 15.174 -3.781 1.00 0.00 C ATOM 385 C ALA A 26 -0.564 14.545 -4.601 1.00 0.00 C ATOM 386 O ALA A 26 0.109 15.233 -5.367 1.00 0.00 O ATOM 387 CB ALA A 26 -2.852 15.654 -4.656 1.00 0.00 C ATOM 0 H ALA A 26 -1.165 17.185 -3.513 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.083 14.405 -3.115 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.247 14.815 -5.228 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.639 16.065 -4.024 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.497 16.425 -5.340 1.00 0.00 H new ATOM 393 N ARG A 27 -0.394 13.245 -4.413 1.00 0.00 N ATOM 394 CA ARG A 27 0.641 12.515 -5.127 1.00 0.00 C ATOM 395 C ARG A 27 0.086 11.193 -5.661 1.00 0.00 C ATOM 396 O ARG A 27 -0.937 10.707 -5.182 1.00 0.00 O ATOM 397 CB ARG A 27 1.838 12.228 -4.218 1.00 0.00 C ATOM 398 CG ARG A 27 3.144 12.227 -5.016 1.00 0.00 C ATOM 399 CD ARG A 27 4.106 13.297 -4.494 1.00 0.00 C ATOM 400 NE ARG A 27 4.256 13.169 -3.027 1.00 0.00 N ATOM 401 CZ ARG A 27 4.673 14.159 -2.226 1.00 0.00 C ATOM 402 NH1 ARG A 27 4.983 15.355 -2.744 1.00 0.00 N ATOM 403 NH2 ARG A 27 4.779 13.953 -0.906 1.00 0.00 N ATOM 0 H ARG A 27 -0.955 12.678 -3.777 1.00 0.00 H new ATOM 0 HA ARG A 27 0.972 13.136 -5.959 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.889 12.980 -3.430 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.705 11.263 -3.730 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.614 11.246 -4.949 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.931 12.407 -6.070 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.077 13.192 -4.978 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.730 14.289 -4.744 1.00 0.00 H new ATOM 0 HE ARG A 27 4.028 12.272 -2.599 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.902 15.512 -3.749 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.300 16.108 -2.134 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.542 13.043 -0.511 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.096 14.706 -0.296 1.00 0.00 H new ATOM 417 N TRP A 28 0.786 10.649 -6.645 1.00 0.00 N ATOM 418 CA TRP A 28 0.376 9.393 -7.250 1.00 0.00 C ATOM 419 C TRP A 28 0.935 8.253 -6.396 1.00 0.00 C ATOM 420 O TRP A 28 2.139 8.191 -6.149 1.00 0.00 O ATOM 421 CB TRP A 28 0.819 9.318 -8.712 1.00 0.00 C ATOM 422 CG TRP A 28 0.205 8.152 -9.489 1.00 0.00 C ATOM 423 CD1 TRP A 28 0.785 6.995 -9.837 1.00 0.00 C ATOM 424 CD2 TRP A 28 -1.142 8.076 -10.004 1.00 0.00 C ATOM 425 NE1 TRP A 28 -0.085 6.183 -10.536 1.00 0.00 N ATOM 426 CE2 TRP A 28 -1.294 6.861 -10.641 1.00 0.00 C ATOM 427 CE3 TRP A 28 -2.196 9.004 -9.934 1.00 0.00 C ATOM 428 CZ2 TRP A 28 -2.487 6.462 -11.256 1.00 0.00 C ATOM 429 CZ3 TRP A 28 -3.381 8.590 -10.554 1.00 0.00 C ATOM 430 CH2 TRP A 28 -3.550 7.371 -11.199 1.00 0.00 C ATOM 0 H TRP A 28 1.635 11.055 -7.039 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.711 9.312 -7.272 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.555 10.251 -9.209 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.905 9.233 -8.748 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.805 6.731 -9.600 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.121 5.256 -10.907 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.099 9.960 -9.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.582 5.505 -11.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.223 9.266 -10.529 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -4.498 7.126 -11.655 1.00 0.00 H new ATOM 441 N PHE A 29 0.035 7.379 -5.969 1.00 0.00 N ATOM 442 CA PHE A 29 0.424 6.245 -5.149 1.00 0.00 C ATOM 443 C PHE A 29 0.294 4.935 -5.928 1.00 0.00 C ATOM 444 O PHE A 29 -0.272 4.911 -7.020 1.00 0.00 O ATOM 445 CB PHE A 29 -0.530 6.210 -3.953 1.00 0.00 C ATOM 446 CG PHE A 29 -0.086 7.083 -2.777 1.00 0.00 C ATOM 447 CD1 PHE A 29 0.638 8.212 -3.003 1.00 0.00 C ATOM 448 CD2 PHE A 29 -0.416 6.730 -1.506 1.00 0.00 C ATOM 449 CE1 PHE A 29 1.050 9.022 -1.912 1.00 0.00 C ATOM 450 CE2 PHE A 29 -0.004 7.540 -0.415 1.00 0.00 C ATOM 451 CZ PHE A 29 0.720 8.669 -0.641 1.00 0.00 C ATOM 0 H PHE A 29 -0.962 7.434 -6.176 1.00 0.00 H new ATOM 0 HA PHE A 29 1.463 6.350 -4.838 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.518 6.534 -4.280 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.629 5.180 -3.610 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.900 8.492 -4.013 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.991 5.834 -1.326 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.625 9.918 -2.092 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.266 7.260 0.595 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.033 9.285 0.189 1.00 0.00 H new ATOM 461 N VAL A 30 0.828 3.876 -5.336 1.00 0.00 N ATOM 462 CA VAL A 30 0.779 2.565 -5.961 1.00 0.00 C ATOM 463 C VAL A 30 0.455 1.511 -4.900 1.00 0.00 C ATOM 464 O VAL A 30 1.138 1.421 -3.881 1.00 0.00 O ATOM 465 CB VAL A 30 2.090 2.288 -6.699 1.00 0.00 C ATOM 466 CG1 VAL A 30 2.149 0.839 -7.186 1.00 0.00 C ATOM 467 CG2 VAL A 30 2.283 3.265 -7.860 1.00 0.00 C ATOM 0 H VAL A 30 1.297 3.899 -4.430 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.013 2.527 -6.709 1.00 0.00 H new ATOM 0 HB VAL A 30 2.909 2.439 -5.995 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.091 0.668 -7.707 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.080 0.165 -6.332 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.319 0.650 -7.866 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.222 3.046 -8.368 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.457 3.161 -8.564 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.307 4.285 -7.477 1.00 0.00 H new ATOM 477 N LEU A 31 -0.587 0.741 -5.176 1.00 0.00 N ATOM 478 CA LEU A 31 -1.010 -0.303 -4.258 1.00 0.00 C ATOM 479 C LEU A 31 -0.560 -1.663 -4.797 1.00 0.00 C ATOM 480 O LEU A 31 -1.325 -2.351 -5.470 1.00 0.00 O ATOM 481 CB LEU A 31 -2.515 -0.212 -3.999 1.00 0.00 C ATOM 482 CG LEU A 31 -2.977 -0.595 -2.592 1.00 0.00 C ATOM 483 CD1 LEU A 31 -3.257 -2.097 -2.497 1.00 0.00 C ATOM 484 CD2 LEU A 31 -1.970 -0.132 -1.538 1.00 0.00 C ATOM 0 H LEU A 31 -1.151 0.819 -6.022 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.534 -0.171 -3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.837 0.810 -4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.027 -0.855 -4.716 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.915 -0.079 -2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.584 -2.343 -1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.039 -2.367 -3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.348 -2.652 -2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.323 -0.417 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.004 -0.600 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.864 0.952 -1.587 1.00 0.00 H new ATOM 496 N ASP A 32 0.679 -2.008 -4.480 1.00 0.00 N ATOM 497 CA ASP A 32 1.240 -3.273 -4.924 1.00 0.00 C ATOM 498 C ASP A 32 0.559 -4.420 -4.175 1.00 0.00 C ATOM 499 O ASP A 32 -0.004 -4.216 -3.100 1.00 0.00 O ATOM 500 CB ASP A 32 2.740 -3.343 -4.632 1.00 0.00 C ATOM 501 CG ASP A 32 3.339 -4.751 -4.655 1.00 0.00 C ATOM 502 OD1 ASP A 32 3.120 -5.444 -5.672 1.00 0.00 O ATOM 503 OD2 ASP A 32 4.001 -5.103 -3.655 1.00 0.00 O ATOM 0 H ASP A 32 1.310 -1.434 -3.921 1.00 0.00 H new ATOM 0 HA ASP A 32 1.077 -3.355 -5.999 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.266 -2.729 -5.363 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.925 -2.902 -3.653 1.00 0.00 H new ATOM 508 N LYS A 33 0.631 -5.600 -4.772 1.00 0.00 N ATOM 509 CA LYS A 33 0.027 -6.779 -4.174 1.00 0.00 C ATOM 510 C LYS A 33 1.084 -7.879 -4.048 1.00 0.00 C ATOM 511 O LYS A 33 1.167 -8.550 -3.020 1.00 0.00 O ATOM 512 CB LYS A 33 -1.212 -7.205 -4.963 1.00 0.00 C ATOM 513 CG LYS A 33 -1.002 -7.005 -6.465 1.00 0.00 C ATOM 514 CD LYS A 33 -1.747 -8.072 -7.270 1.00 0.00 C ATOM 515 CE LYS A 33 -1.309 -9.478 -6.854 1.00 0.00 C ATOM 516 NZ LYS A 33 -1.515 -10.434 -7.964 1.00 0.00 N ATOM 0 H LYS A 33 1.098 -5.765 -5.663 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.326 -6.557 -3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.434 -8.253 -4.760 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.075 -6.626 -4.633 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.352 -6.015 -6.756 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.062 -7.048 -6.696 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.821 -7.962 -7.119 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.558 -7.928 -8.334 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.258 -9.467 -6.566 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.876 -9.798 -5.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.213 -11.383 -7.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.523 -10.456 -8.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.955 -10.136 -8.788 1.00 0.00 H new ATOM 530 N THR A 34 1.865 -8.029 -5.107 1.00 0.00 N ATOM 531 CA THR A 34 2.912 -9.036 -5.128 1.00 0.00 C ATOM 532 C THR A 34 3.733 -8.977 -3.838 1.00 0.00 C ATOM 533 O THR A 34 4.021 -10.009 -3.234 1.00 0.00 O ATOM 534 CB THR A 34 3.748 -8.823 -6.391 1.00 0.00 C ATOM 535 OG1 THR A 34 4.340 -7.540 -6.203 1.00 0.00 O ATOM 536 CG2 THR A 34 2.885 -8.655 -7.643 1.00 0.00 C ATOM 0 H THR A 34 1.794 -7.470 -5.957 1.00 0.00 H new ATOM 0 HA THR A 34 2.493 -10.042 -5.165 1.00 0.00 H new ATOM 0 HB THR A 34 4.423 -9.668 -6.526 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.667 -6.844 -6.354 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.528 -8.507 -8.511 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.278 -9.549 -7.789 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.233 -7.790 -7.522 1.00 0.00 H new ATOM 544 N LYS A 35 4.088 -7.760 -3.455 1.00 0.00 N ATOM 545 CA LYS A 35 4.871 -7.553 -2.249 1.00 0.00 C ATOM 546 C LYS A 35 4.056 -6.725 -1.253 1.00 0.00 C ATOM 547 O LYS A 35 4.530 -6.420 -0.160 1.00 0.00 O ATOM 548 CB LYS A 35 6.230 -6.940 -2.590 1.00 0.00 C ATOM 549 CG LYS A 35 7.105 -7.937 -3.353 1.00 0.00 C ATOM 550 CD LYS A 35 8.537 -7.935 -2.813 1.00 0.00 C ATOM 551 CE LYS A 35 9.448 -8.814 -3.673 1.00 0.00 C ATOM 552 NZ LYS A 35 10.864 -8.422 -3.494 1.00 0.00 N ATOM 0 H LYS A 35 3.848 -6.906 -3.959 1.00 0.00 H new ATOM 0 HA LYS A 35 5.089 -8.507 -1.769 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.087 -6.042 -3.191 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.735 -6.634 -1.674 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.682 -8.938 -3.267 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.112 -7.683 -4.413 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.921 -6.915 -2.795 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.542 -8.296 -1.785 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.317 -9.861 -3.400 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.168 -8.721 -4.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.469 -9.028 -4.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.988 -7.429 -3.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.131 -8.534 -2.495 1.00 0.00 H new ATOM 566 N HIS A 36 2.844 -6.385 -1.667 1.00 0.00 N ATOM 567 CA HIS A 36 1.959 -5.598 -0.825 1.00 0.00 C ATOM 568 C HIS A 36 2.737 -4.434 -0.209 1.00 0.00 C ATOM 569 O HIS A 36 3.276 -4.555 0.890 1.00 0.00 O ATOM 570 CB HIS A 36 1.282 -6.481 0.225 1.00 0.00 C ATOM 571 CG HIS A 36 2.222 -7.434 0.924 1.00 0.00 C ATOM 572 ND1 HIS A 36 2.222 -8.797 0.684 1.00 0.00 N ATOM 573 CD2 HIS A 36 3.190 -7.207 1.857 1.00 0.00 C ATOM 574 CE1 HIS A 36 3.153 -9.355 1.445 1.00 0.00 C ATOM 575 NE2 HIS A 36 3.751 -8.368 2.171 1.00 0.00 N ATOM 0 H HIS A 36 2.454 -6.640 -2.574 1.00 0.00 H new ATOM 0 HA HIS A 36 1.158 -5.173 -1.430 1.00 0.00 H new ATOM 0 HB2 HIS A 36 0.807 -5.843 0.970 1.00 0.00 H new ATOM 0 HB3 HIS A 36 0.489 -7.055 -0.254 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.455 -6.245 2.270 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.395 -10.407 1.483 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.505 -8.500 2.845 1.00 0.00 H new ATOM 583 N GLN A 37 2.772 -3.332 -0.944 1.00 0.00 N ATOM 584 CA GLN A 37 3.475 -2.147 -0.484 1.00 0.00 C ATOM 585 C GLN A 37 2.832 -0.888 -1.068 1.00 0.00 C ATOM 586 O GLN A 37 2.065 -0.965 -2.026 1.00 0.00 O ATOM 587 CB GLN A 37 4.961 -2.219 -0.840 1.00 0.00 C ATOM 588 CG GLN A 37 5.656 -3.343 -0.069 1.00 0.00 C ATOM 589 CD GLN A 37 7.157 -3.365 -0.367 1.00 0.00 C ATOM 590 OE1 GLN A 37 7.591 -3.328 -1.506 1.00 0.00 O ATOM 591 NE2 GLN A 37 7.923 -3.428 0.719 1.00 0.00 N ATOM 0 H GLN A 37 2.324 -3.235 -1.855 1.00 0.00 H new ATOM 0 HA GLN A 37 3.397 -2.101 0.602 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.074 -2.384 -1.911 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.440 -1.267 -0.612 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.496 -3.208 1.001 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.214 -4.302 -0.339 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.495 -3.456 1.644 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.939 -3.448 0.626 1.00 0.00 H new ATOM 600 N LEU A 38 3.167 0.244 -0.465 1.00 0.00 N ATOM 601 CA LEU A 38 2.631 1.518 -0.912 1.00 0.00 C ATOM 602 C LEU A 38 3.766 2.371 -1.483 1.00 0.00 C ATOM 603 O LEU A 38 4.597 2.885 -0.735 1.00 0.00 O ATOM 604 CB LEU A 38 1.857 2.200 0.217 1.00 0.00 C ATOM 605 CG LEU A 38 0.521 2.836 -0.175 1.00 0.00 C ATOM 606 CD1 LEU A 38 -0.558 2.529 0.866 1.00 0.00 C ATOM 607 CD2 LEU A 38 0.678 4.339 -0.412 1.00 0.00 C ATOM 0 H LEU A 38 3.803 0.305 0.330 1.00 0.00 H new ATOM 0 HA LEU A 38 1.909 1.367 -1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.671 1.464 0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.492 2.973 0.651 1.00 0.00 H new ATOM 0 HG LEU A 38 0.195 2.394 -1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.497 2.992 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.693 1.450 0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.253 2.926 1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.286 4.766 -0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.037 4.816 0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.394 4.508 -1.216 1.00 0.00 H new ATOM 619 N ARG A 39 3.765 2.495 -2.802 1.00 0.00 N ATOM 620 CA ARG A 39 4.784 3.277 -3.481 1.00 0.00 C ATOM 621 C ARG A 39 4.158 4.508 -4.140 1.00 0.00 C ATOM 622 O ARG A 39 3.240 4.383 -4.949 1.00 0.00 O ATOM 623 CB ARG A 39 5.498 2.444 -4.547 1.00 0.00 C ATOM 624 CG ARG A 39 5.920 1.084 -3.989 1.00 0.00 C ATOM 625 CD ARG A 39 6.613 0.241 -5.061 1.00 0.00 C ATOM 626 NE ARG A 39 8.078 0.259 -4.850 1.00 0.00 N ATOM 627 CZ ARG A 39 8.921 -0.653 -5.355 1.00 0.00 C ATOM 628 NH1 ARG A 39 8.449 -1.659 -6.104 1.00 0.00 N ATOM 629 NH2 ARG A 39 10.235 -0.558 -5.112 1.00 0.00 N ATOM 0 H ARG A 39 3.075 2.067 -3.419 1.00 0.00 H new ATOM 0 HA ARG A 39 5.512 3.592 -2.734 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.839 2.301 -5.403 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.375 2.982 -4.906 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.592 1.227 -3.143 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.045 0.554 -3.614 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.244 -0.784 -5.024 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.375 0.630 -6.051 1.00 0.00 H new ATOM 0 HE ARG A 39 8.471 1.012 -4.285 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.449 -1.731 -6.290 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.090 -2.353 -6.488 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.594 0.208 -4.543 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.876 -1.252 -5.496 1.00 0.00 H new ATOM 643 N TYR A 40 4.678 5.668 -3.769 1.00 0.00 N ATOM 644 CA TYR A 40 4.182 6.920 -4.313 1.00 0.00 C ATOM 645 C TYR A 40 5.311 7.722 -4.963 1.00 0.00 C ATOM 646 O TYR A 40 6.397 7.841 -4.397 1.00 0.00 O ATOM 647 CB TYR A 40 3.631 7.708 -3.124 1.00 0.00 C ATOM 648 CG TYR A 40 4.689 8.093 -2.088 1.00 0.00 C ATOM 649 CD1 TYR A 40 4.979 7.236 -1.046 1.00 0.00 C ATOM 650 CD2 TYR A 40 5.355 9.297 -2.196 1.00 0.00 C ATOM 651 CE1 TYR A 40 5.975 7.598 -0.072 1.00 0.00 C ATOM 652 CE2 TYR A 40 6.351 9.659 -1.222 1.00 0.00 C ATOM 653 CZ TYR A 40 6.612 8.792 -0.208 1.00 0.00 C ATOM 654 OH TYR A 40 7.553 9.134 0.713 1.00 0.00 O ATOM 0 H TYR A 40 5.439 5.767 -3.097 1.00 0.00 H new ATOM 0 HA TYR A 40 3.427 6.734 -5.077 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.152 8.615 -3.493 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.858 7.115 -2.635 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.459 6.293 -0.961 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.129 9.968 -3.012 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.211 6.936 0.748 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.879 10.598 -1.295 1.00 0.00 H new ATOM 0 HH TYR A 40 7.925 10.012 0.489 1.00 0.00 H new ATOM 664 N TYR A 41 5.017 8.251 -6.141 1.00 0.00 N ATOM 665 CA TYR A 41 5.994 9.038 -6.873 1.00 0.00 C ATOM 666 C TYR A 41 5.462 10.444 -7.160 1.00 0.00 C ATOM 667 O TYR A 41 4.276 10.712 -6.975 1.00 0.00 O ATOM 668 CB TYR A 41 6.215 8.309 -8.200 1.00 0.00 C ATOM 669 CG TYR A 41 6.368 6.793 -8.059 1.00 0.00 C ATOM 670 CD1 TYR A 41 5.275 6.016 -7.735 1.00 0.00 C ATOM 671 CD2 TYR A 41 7.601 6.203 -8.255 1.00 0.00 C ATOM 672 CE1 TYR A 41 5.419 4.589 -7.602 1.00 0.00 C ATOM 673 CE2 TYR A 41 7.745 4.777 -8.122 1.00 0.00 C ATOM 674 CZ TYR A 41 6.648 4.040 -7.802 1.00 0.00 C ATOM 675 OH TYR A 41 6.784 2.693 -7.677 1.00 0.00 O ATOM 0 H TYR A 41 4.115 8.150 -6.607 1.00 0.00 H new ATOM 0 HA TYR A 41 6.912 9.142 -6.295 1.00 0.00 H new ATOM 0 HB2 TYR A 41 5.375 8.519 -8.862 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.108 8.711 -8.679 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.311 6.478 -7.581 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.457 6.811 -8.508 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.571 3.969 -7.349 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.703 4.303 -8.273 1.00 0.00 H new ATOM 0 HH TYR A 41 7.734 2.467 -7.593 1.00 0.00 H new ATOM 685 N ASP A 42 6.365 11.304 -7.607 1.00 0.00 N ATOM 686 CA ASP A 42 6.001 12.675 -7.922 1.00 0.00 C ATOM 687 C ASP A 42 5.263 12.708 -9.262 1.00 0.00 C ATOM 688 O ASP A 42 4.430 13.582 -9.494 1.00 0.00 O ATOM 689 CB ASP A 42 7.244 13.560 -8.044 1.00 0.00 C ATOM 690 CG ASP A 42 8.301 13.344 -6.960 1.00 0.00 C ATOM 691 OD1 ASP A 42 8.192 14.025 -5.917 1.00 0.00 O ATOM 692 OD2 ASP A 42 9.194 12.502 -7.198 1.00 0.00 O ATOM 0 H ASP A 42 7.348 11.078 -7.759 1.00 0.00 H new ATOM 0 HA ASP A 42 5.369 13.050 -7.117 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.702 13.384 -9.017 1.00 0.00 H new ATOM 0 HB3 ASP A 42 6.932 14.604 -8.023 1.00 0.00 H new ATOM 697 N HIS A 43 5.597 11.745 -10.108 1.00 0.00 N ATOM 698 CA HIS A 43 4.976 11.653 -11.419 1.00 0.00 C ATOM 699 C HIS A 43 3.902 10.564 -11.403 1.00 0.00 C ATOM 700 O HIS A 43 3.574 10.026 -10.346 1.00 0.00 O ATOM 701 CB HIS A 43 6.030 11.430 -12.505 1.00 0.00 C ATOM 702 CG HIS A 43 5.986 12.446 -13.622 1.00 0.00 C ATOM 703 ND1 HIS A 43 6.639 12.261 -14.829 1.00 0.00 N ATOM 704 CD2 HIS A 43 5.361 13.655 -13.703 1.00 0.00 C ATOM 705 CE1 HIS A 43 6.410 13.319 -15.593 1.00 0.00 C ATOM 706 NE2 HIS A 43 5.619 14.182 -14.893 1.00 0.00 N ATOM 0 H HIS A 43 6.289 11.022 -9.912 1.00 0.00 H new ATOM 0 HA HIS A 43 4.485 12.596 -11.659 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.019 11.451 -12.047 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.896 10.434 -12.928 1.00 0.00 H new ATOM 0 HD2 HIS A 43 4.758 14.107 -12.929 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.784 13.471 -16.595 1.00 0.00 H new ATOM 0 HE2 HIS A 43 5.281 15.084 -15.229 1.00 0.00 H new ATOM 714 N ARG A 44 3.384 10.271 -12.586 1.00 0.00 N ATOM 715 CA ARG A 44 2.353 9.256 -12.722 1.00 0.00 C ATOM 716 C ARG A 44 2.983 7.900 -13.047 1.00 0.00 C ATOM 717 O ARG A 44 2.320 6.868 -12.963 1.00 0.00 O ATOM 718 CB ARG A 44 1.357 9.626 -13.823 1.00 0.00 C ATOM 719 CG ARG A 44 0.274 8.554 -13.965 1.00 0.00 C ATOM 720 CD ARG A 44 -1.098 9.188 -14.201 1.00 0.00 C ATOM 721 NE ARG A 44 -1.432 9.149 -15.642 1.00 0.00 N ATOM 722 CZ ARG A 44 -2.631 9.476 -16.144 1.00 0.00 C ATOM 723 NH1 ARG A 44 -3.616 9.868 -15.325 1.00 0.00 N ATOM 724 NH2 ARG A 44 -2.844 9.411 -17.466 1.00 0.00 N ATOM 0 H ARG A 44 3.659 10.719 -13.460 1.00 0.00 H new ATOM 0 HA ARG A 44 1.821 9.195 -11.773 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.895 10.586 -13.593 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.883 9.744 -14.770 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.520 7.891 -14.795 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.245 7.940 -13.065 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.857 8.655 -13.629 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.097 10.219 -13.847 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.705 8.855 -16.294 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.454 9.918 -14.319 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.528 10.117 -15.707 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.094 9.113 -18.089 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.756 9.660 -17.848 1.00 0.00 H new ATOM 738 N MET A 45 4.256 7.948 -13.413 1.00 0.00 N ATOM 739 CA MET A 45 4.983 6.736 -13.751 1.00 0.00 C ATOM 740 C MET A 45 6.414 6.787 -13.214 1.00 0.00 C ATOM 741 O MET A 45 6.897 5.818 -12.630 1.00 0.00 O ATOM 742 CB MET A 45 5.014 6.567 -15.272 1.00 0.00 C ATOM 743 CG MET A 45 5.072 7.926 -15.973 1.00 0.00 C ATOM 744 SD MET A 45 4.987 7.704 -17.742 1.00 0.00 S ATOM 745 CE MET A 45 3.238 7.407 -17.934 1.00 0.00 C ATOM 0 H MET A 45 4.802 8.807 -13.483 1.00 0.00 H new ATOM 0 HA MET A 45 4.473 5.889 -13.292 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.879 5.969 -15.558 1.00 0.00 H new ATOM 0 HB3 MET A 45 4.128 6.022 -15.599 1.00 0.00 H new ATOM 0 HG2 MET A 45 4.247 8.553 -15.637 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.994 8.443 -15.707 1.00 0.00 H new ATOM 0 HE1 MET A 45 3.085 6.463 -18.458 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.767 7.358 -16.952 1.00 0.00 H new ATOM 0 HE3 MET A 45 2.792 8.218 -18.510 1.00 0.00 H new ATOM 755 N ASP A 46 7.053 7.928 -13.429 1.00 0.00 N ATOM 756 CA ASP A 46 8.420 8.118 -12.974 1.00 0.00 C ATOM 757 C ASP A 46 9.211 6.828 -13.198 1.00 0.00 C ATOM 758 O ASP A 46 8.840 6.004 -14.032 1.00 0.00 O ATOM 759 CB ASP A 46 8.462 8.445 -11.480 1.00 0.00 C ATOM 760 CG ASP A 46 7.316 9.326 -10.978 1.00 0.00 C ATOM 761 OD1 ASP A 46 6.157 8.991 -11.306 1.00 0.00 O ATOM 762 OD2 ASP A 46 7.624 10.314 -10.278 1.00 0.00 O ATOM 0 H ASP A 46 6.649 8.730 -13.912 1.00 0.00 H new ATOM 0 HA ASP A 46 8.851 8.946 -13.537 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.455 7.511 -10.919 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.406 8.942 -11.259 1.00 0.00 H new ATOM 767 N THR A 47 10.289 6.693 -12.438 1.00 0.00 N ATOM 768 CA THR A 47 11.136 5.518 -12.543 1.00 0.00 C ATOM 769 C THR A 47 11.575 5.050 -11.154 1.00 0.00 C ATOM 770 O THR A 47 11.425 3.878 -10.814 1.00 0.00 O ATOM 771 CB THR A 47 12.307 5.860 -13.467 1.00 0.00 C ATOM 772 OG1 THR A 47 13.232 4.795 -13.264 1.00 0.00 O ATOM 773 CG2 THR A 47 13.067 7.107 -13.011 1.00 0.00 C ATOM 0 H THR A 47 10.594 7.379 -11.747 1.00 0.00 H new ATOM 0 HA THR A 47 10.594 4.678 -12.978 1.00 0.00 H new ATOM 0 HB THR A 47 11.937 6.011 -14.481 1.00 0.00 H new ATOM 0 HG1 THR A 47 14.022 4.936 -13.827 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.887 7.306 -13.701 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.390 7.961 -12.997 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.466 6.944 -12.010 1.00 0.00 H new ATOM 781 N GLU A 48 12.107 5.992 -10.389 1.00 0.00 N ATOM 782 CA GLU A 48 12.569 5.691 -9.044 1.00 0.00 C ATOM 783 C GLU A 48 11.427 5.866 -8.040 1.00 0.00 C ATOM 784 O GLU A 48 10.639 6.804 -8.148 1.00 0.00 O ATOM 785 CB GLU A 48 13.768 6.563 -8.668 1.00 0.00 C ATOM 786 CG GLU A 48 13.358 8.031 -8.532 1.00 0.00 C ATOM 787 CD GLU A 48 14.528 8.884 -8.040 1.00 0.00 C ATOM 788 OE1 GLU A 48 14.740 8.903 -6.809 1.00 0.00 O ATOM 789 OE2 GLU A 48 15.186 9.499 -8.908 1.00 0.00 O ATOM 0 H GLU A 48 12.228 6.964 -10.674 1.00 0.00 H new ATOM 0 HA GLU A 48 12.896 4.651 -9.017 1.00 0.00 H new ATOM 0 HB2 GLU A 48 14.196 6.213 -7.729 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.544 6.467 -9.427 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.010 8.406 -9.495 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.523 8.116 -7.836 1.00 0.00 H new ATOM 796 N CYS A 49 11.376 4.948 -7.086 1.00 0.00 N ATOM 797 CA CYS A 49 10.344 4.988 -6.064 1.00 0.00 C ATOM 798 C CYS A 49 10.771 5.991 -4.990 1.00 0.00 C ATOM 799 O CYS A 49 11.942 6.045 -4.617 1.00 0.00 O ATOM 800 CB CYS A 49 10.076 3.602 -5.475 1.00 0.00 C ATOM 801 SG CYS A 49 9.742 2.405 -6.819 1.00 0.00 S ATOM 0 H CYS A 49 12.033 4.172 -6.999 1.00 0.00 H new ATOM 0 HA CYS A 49 9.402 5.310 -6.508 1.00 0.00 H new ATOM 0 HB2 CYS A 49 10.935 3.274 -4.890 1.00 0.00 H new ATOM 0 HB3 CYS A 49 9.225 3.645 -4.795 1.00 0.00 H new ATOM 0 HG CYS A 49 10.626 1.452 -6.781 1.00 0.00 H new ATOM 807 N LYS A 50 9.799 6.760 -4.524 1.00 0.00 N ATOM 808 CA LYS A 50 10.059 7.758 -3.500 1.00 0.00 C ATOM 809 C LYS A 50 9.193 7.463 -2.274 1.00 0.00 C ATOM 810 O LYS A 50 8.059 7.930 -2.184 1.00 0.00 O ATOM 811 CB LYS A 50 9.867 9.167 -4.064 1.00 0.00 C ATOM 812 CG LYS A 50 10.911 9.474 -5.140 1.00 0.00 C ATOM 813 CD LYS A 50 12.134 10.167 -4.535 1.00 0.00 C ATOM 814 CE LYS A 50 11.882 11.666 -4.357 1.00 0.00 C ATOM 815 NZ LYS A 50 13.162 12.390 -4.190 1.00 0.00 N ATOM 0 H LYS A 50 8.829 6.713 -4.837 1.00 0.00 H new ATOM 0 HA LYS A 50 11.098 7.708 -3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.866 9.260 -4.486 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.943 9.898 -3.259 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.217 8.549 -5.629 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.471 10.110 -5.908 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.371 9.717 -3.571 1.00 0.00 H new ATOM 0 HD3 LYS A 50 12.999 10.014 -5.180 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.347 12.056 -5.223 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.246 11.833 -3.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.973 13.406 -4.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 13.658 12.029 -3.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.755 12.245 -5.032 1.00 0.00 H new ATOM 829 N GLY A 51 9.761 6.690 -1.360 1.00 0.00 N ATOM 830 CA GLY A 51 9.054 6.327 -0.143 1.00 0.00 C ATOM 831 C GLY A 51 8.167 5.101 -0.369 1.00 0.00 C ATOM 832 O GLY A 51 7.354 5.080 -1.293 1.00 0.00 O ATOM 0 H GLY A 51 10.702 6.305 -1.438 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.772 6.120 0.651 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.443 7.166 0.191 1.00 0.00 H new ATOM 836 N VAL A 52 8.352 4.110 0.490 1.00 0.00 N ATOM 837 CA VAL A 52 7.578 2.884 0.396 1.00 0.00 C ATOM 838 C VAL A 52 6.906 2.605 1.742 1.00 0.00 C ATOM 839 O VAL A 52 7.469 2.902 2.794 1.00 0.00 O ATOM 840 CB VAL A 52 8.473 1.735 -0.074 1.00 0.00 C ATOM 841 CG1 VAL A 52 7.839 0.380 0.246 1.00 0.00 C ATOM 842 CG2 VAL A 52 8.782 1.857 -1.568 1.00 0.00 C ATOM 0 H VAL A 52 9.027 4.131 1.255 1.00 0.00 H new ATOM 0 HA VAL A 52 6.787 2.988 -0.347 1.00 0.00 H new ATOM 0 HB VAL A 52 9.416 1.800 0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.495 -0.419 -0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.694 0.292 1.323 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.876 0.301 -0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.419 1.028 -1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.852 1.830 -2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.295 2.800 -1.758 1.00 0.00 H new ATOM 852 N ILE A 53 5.710 2.039 1.664 1.00 0.00 N ATOM 853 CA ILE A 53 4.955 1.718 2.863 1.00 0.00 C ATOM 854 C ILE A 53 4.639 0.221 2.876 1.00 0.00 C ATOM 855 O ILE A 53 3.739 -0.233 2.171 1.00 0.00 O ATOM 856 CB ILE A 53 3.716 2.608 2.971 1.00 0.00 C ATOM 857 CG1 ILE A 53 3.966 3.975 2.329 1.00 0.00 C ATOM 858 CG2 ILE A 53 3.256 2.734 4.425 1.00 0.00 C ATOM 859 CD1 ILE A 53 2.737 4.876 2.464 1.00 0.00 C ATOM 0 H ILE A 53 5.246 1.795 0.789 1.00 0.00 H new ATOM 0 HA ILE A 53 5.548 1.927 3.753 1.00 0.00 H new ATOM 0 HB ILE A 53 2.906 2.134 2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.825 4.452 2.802 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.213 3.846 1.275 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.374 3.372 4.473 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.012 1.746 4.816 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.055 3.173 5.023 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.941 5.841 2.000 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.886 4.408 1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.507 5.022 3.519 1.00 0.00 H new ATOM 871 N ASP A 54 5.398 -0.505 3.684 1.00 0.00 N ATOM 872 CA ASP A 54 5.210 -1.941 3.798 1.00 0.00 C ATOM 873 C ASP A 54 3.792 -2.228 4.298 1.00 0.00 C ATOM 874 O ASP A 54 3.497 -2.040 5.477 1.00 0.00 O ATOM 875 CB ASP A 54 6.196 -2.549 4.798 1.00 0.00 C ATOM 876 CG ASP A 54 6.204 -4.078 4.851 1.00 0.00 C ATOM 877 OD1 ASP A 54 5.159 -4.663 4.492 1.00 0.00 O ATOM 878 OD2 ASP A 54 7.254 -4.626 5.249 1.00 0.00 O ATOM 0 H ASP A 54 6.145 -0.125 4.266 1.00 0.00 H new ATOM 0 HA ASP A 54 5.376 -2.381 2.815 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.200 -2.204 4.551 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.964 -2.167 5.792 1.00 0.00 H new ATOM 883 N LEU A 55 2.954 -2.678 3.376 1.00 0.00 N ATOM 884 CA LEU A 55 1.575 -2.993 3.709 1.00 0.00 C ATOM 885 C LEU A 55 1.550 -4.063 4.802 1.00 0.00 C ATOM 886 O LEU A 55 0.607 -4.130 5.589 1.00 0.00 O ATOM 887 CB LEU A 55 0.795 -3.380 2.451 1.00 0.00 C ATOM 888 CG LEU A 55 0.536 -2.253 1.449 1.00 0.00 C ATOM 889 CD1 LEU A 55 -0.076 -2.798 0.157 1.00 0.00 C ATOM 890 CD2 LEU A 55 -0.327 -1.154 2.072 1.00 0.00 C ATOM 0 H LEU A 55 3.203 -2.832 2.399 1.00 0.00 H new ATOM 0 HA LEU A 55 1.070 -2.115 4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.339 -4.175 1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.165 -3.796 2.756 1.00 0.00 H new ATOM 0 HG LEU A 55 1.493 -1.802 1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.250 -1.976 -0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.608 -3.517 -0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.022 -3.290 0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.496 -0.365 1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.284 -1.574 2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.184 -0.739 2.941 1.00 0.00 H new ATOM 902 N ALA A 56 2.597 -4.875 4.815 1.00 0.00 N ATOM 903 CA ALA A 56 2.707 -5.939 5.798 1.00 0.00 C ATOM 904 C ALA A 56 2.900 -5.326 7.187 1.00 0.00 C ATOM 905 O ALA A 56 2.604 -5.963 8.197 1.00 0.00 O ATOM 906 CB ALA A 56 3.852 -6.877 5.410 1.00 0.00 C ATOM 0 H ALA A 56 3.377 -4.817 4.160 1.00 0.00 H new ATOM 0 HA ALA A 56 1.794 -6.534 5.824 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.934 -7.675 6.148 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.652 -7.309 4.429 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.786 -6.316 5.376 1.00 0.00 H new ATOM 912 N GLU A 57 3.396 -4.098 7.193 1.00 0.00 N ATOM 913 CA GLU A 57 3.632 -3.392 8.441 1.00 0.00 C ATOM 914 C GLU A 57 2.338 -2.747 8.939 1.00 0.00 C ATOM 915 O GLU A 57 2.250 -2.336 10.095 1.00 0.00 O ATOM 916 CB GLU A 57 4.738 -2.347 8.279 1.00 0.00 C ATOM 917 CG GLU A 57 6.112 -3.013 8.177 1.00 0.00 C ATOM 918 CD GLU A 57 7.208 -1.975 7.932 1.00 0.00 C ATOM 919 OE1 GLU A 57 6.852 -0.779 7.863 1.00 0.00 O ATOM 920 OE2 GLU A 57 8.378 -2.400 7.819 1.00 0.00 O ATOM 0 H GLU A 57 3.641 -3.573 6.353 1.00 0.00 H new ATOM 0 HA GLU A 57 3.965 -4.114 9.186 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.552 -1.751 7.386 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.724 -1.663 9.127 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.324 -3.561 9.095 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.108 -3.741 7.366 1.00 0.00 H new ATOM 927 N VAL A 58 1.364 -2.680 8.043 1.00 0.00 N ATOM 928 CA VAL A 58 0.078 -2.092 8.378 1.00 0.00 C ATOM 929 C VAL A 58 -0.615 -2.959 9.431 1.00 0.00 C ATOM 930 O VAL A 58 -0.552 -4.186 9.370 1.00 0.00 O ATOM 931 CB VAL A 58 -0.759 -1.908 7.110 1.00 0.00 C ATOM 932 CG1 VAL A 58 -2.153 -1.374 7.447 1.00 0.00 C ATOM 933 CG2 VAL A 58 -0.047 -0.993 6.112 1.00 0.00 C ATOM 0 H VAL A 58 1.440 -3.023 7.085 1.00 0.00 H new ATOM 0 HA VAL A 58 0.212 -1.100 8.810 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.879 -2.885 6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.728 -1.252 6.529 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.663 -2.078 8.104 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.062 -0.411 7.949 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.663 -0.879 5.220 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.117 -0.016 6.567 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.912 -1.431 5.837 1.00 0.00 H new ATOM 943 N GLU A 59 -1.261 -2.286 10.372 1.00 0.00 N ATOM 944 CA GLU A 59 -1.965 -2.980 11.438 1.00 0.00 C ATOM 945 C GLU A 59 -3.474 -2.945 11.186 1.00 0.00 C ATOM 946 O GLU A 59 -4.191 -3.870 11.566 1.00 0.00 O ATOM 947 CB GLU A 59 -1.623 -2.379 12.803 1.00 0.00 C ATOM 948 CG GLU A 59 -0.186 -2.718 13.206 1.00 0.00 C ATOM 949 CD GLU A 59 0.151 -2.129 14.577 1.00 0.00 C ATOM 950 OE1 GLU A 59 -0.261 -0.973 14.816 1.00 0.00 O ATOM 951 OE2 GLU A 59 0.814 -2.848 15.356 1.00 0.00 O ATOM 0 H GLU A 59 -1.312 -1.268 10.419 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.641 -4.021 11.445 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.750 -1.297 12.770 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.315 -2.758 13.555 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.056 -3.800 13.229 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.506 -2.330 12.459 1.00 0.00 H new ATOM 958 N ALA A 60 -3.911 -1.870 10.548 1.00 0.00 N ATOM 959 CA ALA A 60 -5.322 -1.703 10.242 1.00 0.00 C ATOM 960 C ALA A 60 -5.577 -0.259 9.806 1.00 0.00 C ATOM 961 O ALA A 60 -4.745 0.618 10.032 1.00 0.00 O ATOM 962 CB ALA A 60 -6.159 -2.102 11.458 1.00 0.00 C ATOM 0 H ALA A 60 -3.313 -1.105 10.234 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.616 -2.353 9.418 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.217 -1.977 11.228 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.963 -3.145 11.708 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.894 -1.469 12.305 1.00 0.00 H new ATOM 968 N VAL A 61 -6.733 -0.056 9.190 1.00 0.00 N ATOM 969 CA VAL A 61 -7.109 1.267 8.722 1.00 0.00 C ATOM 970 C VAL A 61 -8.537 1.577 9.173 1.00 0.00 C ATOM 971 O VAL A 61 -9.314 0.666 9.455 1.00 0.00 O ATOM 972 CB VAL A 61 -6.928 1.355 7.205 1.00 0.00 C ATOM 973 CG1 VAL A 61 -7.120 -0.014 6.549 1.00 0.00 C ATOM 974 CG2 VAL A 61 -7.878 2.392 6.599 1.00 0.00 C ATOM 0 H VAL A 61 -7.421 -0.786 9.004 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.460 2.026 9.159 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.906 1.680 7.008 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.986 0.077 5.471 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.387 -0.715 6.948 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.124 -0.381 6.760 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.729 2.435 5.520 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.909 2.109 6.812 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.673 3.371 7.033 1.00 0.00 H new ATOM 984 N ALA A 62 -8.841 2.865 9.228 1.00 0.00 N ATOM 985 CA ALA A 62 -10.162 3.306 9.640 1.00 0.00 C ATOM 986 C ALA A 62 -10.543 4.564 8.856 1.00 0.00 C ATOM 987 O ALA A 62 -9.691 5.403 8.570 1.00 0.00 O ATOM 988 CB ALA A 62 -10.175 3.536 11.152 1.00 0.00 C ATOM 0 H ALA A 62 -8.194 3.618 8.994 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.907 2.542 9.420 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.166 3.867 11.461 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.927 2.606 11.664 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.441 4.299 11.410 1.00 0.00 H new ATOM 994 N PRO A 63 -11.858 4.656 8.522 1.00 0.00 N ATOM 995 CA PRO A 63 -12.363 5.797 7.776 1.00 0.00 C ATOM 996 C PRO A 63 -12.467 7.034 8.671 1.00 0.00 C ATOM 997 O PRO A 63 -13.341 7.109 9.533 1.00 0.00 O ATOM 998 CB PRO A 63 -13.706 5.346 7.228 1.00 0.00 C ATOM 999 CG PRO A 63 -14.116 4.145 8.065 1.00 0.00 C ATOM 1000 CD PRO A 63 -12.896 3.681 8.844 1.00 0.00 C ATOM 0 HA PRO A 63 -11.699 6.097 6.966 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.445 6.144 7.301 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.628 5.079 6.174 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -14.924 4.412 8.746 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.488 3.344 7.426 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.096 3.655 9.915 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -12.598 2.674 8.551 1.00 0.00 H new ATOM 1008 N GLY A 64 -11.563 7.973 8.435 1.00 0.00 N ATOM 1009 CA GLY A 64 -11.543 9.203 9.209 1.00 0.00 C ATOM 1010 C GLY A 64 -12.434 10.269 8.568 1.00 0.00 C ATOM 1011 O GLY A 64 -13.134 9.995 7.595 1.00 0.00 O ATOM 0 H GLY A 64 -10.839 7.907 7.719 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.883 9.003 10.225 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.521 9.574 9.282 1.00 0.00 H new ATOM 1015 N THR A 65 -12.378 11.463 9.140 1.00 0.00 N ATOM 1016 CA THR A 65 -13.171 12.571 8.636 1.00 0.00 C ATOM 1017 C THR A 65 -12.263 13.661 8.064 1.00 0.00 C ATOM 1018 O THR A 65 -11.079 13.724 8.394 1.00 0.00 O ATOM 1019 CB THR A 65 -14.069 13.064 9.773 1.00 0.00 C ATOM 1020 OG1 THR A 65 -13.255 12.944 10.936 1.00 0.00 O ATOM 1021 CG2 THR A 65 -15.245 12.122 10.041 1.00 0.00 C ATOM 0 H THR A 65 -11.796 11.687 9.947 1.00 0.00 H new ATOM 0 HA THR A 65 -13.809 12.257 7.810 1.00 0.00 H new ATOM 0 HB THR A 65 -14.448 14.057 9.531 1.00 0.00 H new ATOM 0 HG1 THR A 65 -13.759 13.245 11.721 1.00 0.00 H new ATOM 0 HG21 THR A 65 -15.850 12.518 10.856 1.00 0.00 H new ATOM 0 HG22 THR A 65 -15.857 12.039 9.143 1.00 0.00 H new ATOM 0 HG23 THR A 65 -14.867 11.137 10.315 1.00 0.00 H new ATOM 1029 N PRO A 66 -12.866 14.514 7.194 1.00 0.00 N ATOM 1030 CA PRO A 66 -12.124 15.598 6.572 1.00 0.00 C ATOM 1031 C PRO A 66 -11.876 16.733 7.567 1.00 0.00 C ATOM 1032 O PRO A 66 -12.820 17.296 8.120 1.00 0.00 O ATOM 1033 CB PRO A 66 -12.971 16.024 5.384 1.00 0.00 C ATOM 1034 CG PRO A 66 -14.367 15.484 5.652 1.00 0.00 C ATOM 1035 CD PRO A 66 -14.266 14.470 6.780 1.00 0.00 C ATOM 0 HA PRO A 66 -11.129 15.294 6.246 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.985 17.109 5.283 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.569 15.623 4.454 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -15.043 16.294 5.926 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -14.775 15.018 4.755 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.931 14.727 7.604 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -14.548 13.473 6.442 1.00 0.00 H new ATOM 1043 N THR A 67 -10.601 17.036 7.764 1.00 0.00 N ATOM 1044 CA THR A 67 -10.217 18.095 8.682 1.00 0.00 C ATOM 1045 C THR A 67 -9.749 19.329 7.908 1.00 0.00 C ATOM 1046 O THR A 67 -9.952 19.421 6.699 1.00 0.00 O ATOM 1047 CB THR A 67 -9.156 17.535 9.632 1.00 0.00 C ATOM 1048 OG1 THR A 67 -8.089 17.148 8.770 1.00 0.00 O ATOM 1049 CG2 THR A 67 -9.594 16.226 10.293 1.00 0.00 C ATOM 0 H THR A 67 -9.821 16.567 7.304 1.00 0.00 H new ATOM 0 HA THR A 67 -11.066 18.428 9.279 1.00 0.00 H new ATOM 0 HB THR A 67 -8.932 18.273 10.402 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.356 16.775 9.303 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.805 15.872 10.957 1.00 0.00 H new ATOM 0 HG22 THR A 67 -10.504 16.396 10.869 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.785 15.477 9.525 1.00 0.00 H new ATOM 1057 N ILE A 68 -9.132 20.247 8.638 1.00 0.00 N ATOM 1058 CA ILE A 68 -8.634 21.471 8.035 1.00 0.00 C ATOM 1059 C ILE A 68 -7.410 21.150 7.175 1.00 0.00 C ATOM 1060 O ILE A 68 -6.517 20.424 7.608 1.00 0.00 O ATOM 1061 CB ILE A 68 -8.371 22.529 9.109 1.00 0.00 C ATOM 1062 CG1 ILE A 68 -9.683 23.037 9.710 1.00 0.00 C ATOM 1063 CG2 ILE A 68 -7.514 23.669 8.557 1.00 0.00 C ATOM 1064 CD1 ILE A 68 -9.605 23.083 11.238 1.00 0.00 C ATOM 0 H ILE A 68 -8.966 20.167 9.641 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.385 21.902 7.373 1.00 0.00 H new ATOM 0 HB ILE A 68 -7.806 22.064 9.916 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.903 24.032 9.323 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.503 22.388 9.404 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.342 24.407 9.340 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.558 23.273 8.215 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.031 24.141 7.721 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -10.550 23.448 11.640 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.409 22.082 11.623 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.800 23.752 11.541 1.00 0.00 H new ATOM 1076 N GLY A 69 -7.408 21.707 5.973 1.00 0.00 N ATOM 1077 CA GLY A 69 -6.308 21.489 5.049 1.00 0.00 C ATOM 1078 C GLY A 69 -6.700 20.494 3.955 1.00 0.00 C ATOM 1079 O GLY A 69 -6.291 20.638 2.804 1.00 0.00 O ATOM 0 H GLY A 69 -8.151 22.309 5.618 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.016 22.436 4.596 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.441 21.114 5.592 1.00 0.00 H new ATOM 1083 N ALA A 70 -7.488 19.506 4.354 1.00 0.00 N ATOM 1084 CA ALA A 70 -7.940 18.486 3.422 1.00 0.00 C ATOM 1085 C ALA A 70 -8.616 19.159 2.226 1.00 0.00 C ATOM 1086 O ALA A 70 -9.058 20.303 2.320 1.00 0.00 O ATOM 1087 CB ALA A 70 -8.870 17.510 4.144 1.00 0.00 C ATOM 0 H ALA A 70 -7.825 19.390 5.310 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.095 17.911 3.043 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.209 16.745 3.445 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.334 17.037 4.967 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.732 18.051 4.536 1.00 0.00 H new ATOM 1093 N PRO A 71 -8.677 18.401 1.098 1.00 0.00 N ATOM 1094 CA PRO A 71 -9.291 18.911 -0.115 1.00 0.00 C ATOM 1095 C PRO A 71 -10.817 18.918 0.004 1.00 0.00 C ATOM 1096 O PRO A 71 -11.367 18.453 1.001 1.00 0.00 O ATOM 1097 CB PRO A 71 -8.786 18.003 -1.224 1.00 0.00 C ATOM 1098 CG PRO A 71 -8.284 16.744 -0.536 1.00 0.00 C ATOM 1099 CD PRO A 71 -8.163 17.042 0.950 1.00 0.00 C ATOM 0 HA PRO A 71 -9.025 19.949 -0.317 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.582 17.771 -1.931 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.988 18.484 -1.789 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.973 15.916 -0.705 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.319 16.444 -0.945 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.740 16.333 1.544 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.128 16.971 1.285 1.00 0.00 H new ATOM 1107 N LYS A 72 -11.457 19.451 -1.026 1.00 0.00 N ATOM 1108 CA LYS A 72 -12.908 19.524 -1.050 1.00 0.00 C ATOM 1109 C LYS A 72 -13.455 18.424 -1.960 1.00 0.00 C ATOM 1110 O LYS A 72 -14.458 17.788 -1.638 1.00 0.00 O ATOM 1111 CB LYS A 72 -13.367 20.931 -1.440 1.00 0.00 C ATOM 1112 CG LYS A 72 -13.503 21.825 -0.207 1.00 0.00 C ATOM 1113 CD LYS A 72 -14.836 22.576 -0.219 1.00 0.00 C ATOM 1114 CE LYS A 72 -15.224 23.028 1.190 1.00 0.00 C ATOM 1115 NZ LYS A 72 -16.021 24.274 1.134 1.00 0.00 N ATOM 0 H LYS A 72 -10.997 19.837 -1.851 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.315 19.345 -0.055 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.652 21.371 -2.135 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.323 20.874 -1.960 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.431 21.219 0.696 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.680 22.539 -0.178 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.763 23.443 -0.876 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.616 21.933 -0.626 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -15.798 22.244 1.685 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.326 23.190 1.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -16.276 24.567 2.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -15.461 25.024 0.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.887 24.108 0.583 1.00 0.00 H new ATOM 1129 N THR A 73 -12.773 18.232 -3.080 1.00 0.00 N ATOM 1130 CA THR A 73 -13.178 17.219 -4.039 1.00 0.00 C ATOM 1131 C THR A 73 -13.662 15.961 -3.314 1.00 0.00 C ATOM 1132 O THR A 73 -14.837 15.605 -3.399 1.00 0.00 O ATOM 1133 CB THR A 73 -12.000 16.961 -4.981 1.00 0.00 C ATOM 1134 OG1 THR A 73 -10.965 16.490 -4.122 1.00 0.00 O ATOM 1135 CG2 THR A 73 -11.433 18.252 -5.575 1.00 0.00 C ATOM 0 H THR A 73 -11.942 18.761 -3.344 1.00 0.00 H new ATOM 0 HA THR A 73 -14.024 17.558 -4.638 1.00 0.00 H new ATOM 0 HB THR A 73 -12.317 16.299 -5.787 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.093 16.742 -4.492 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.600 18.013 -6.236 1.00 0.00 H new ATOM 0 HG22 THR A 73 -12.211 18.764 -6.142 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.084 18.900 -4.771 1.00 0.00 H new ATOM 1143 N VAL A 74 -12.733 15.323 -2.618 1.00 0.00 N ATOM 1144 CA VAL A 74 -13.051 14.113 -1.879 1.00 0.00 C ATOM 1145 C VAL A 74 -14.053 14.445 -0.772 1.00 0.00 C ATOM 1146 O VAL A 74 -14.072 15.564 -0.261 1.00 0.00 O ATOM 1147 CB VAL A 74 -11.767 13.471 -1.349 1.00 0.00 C ATOM 1148 CG1 VAL A 74 -11.052 14.403 -0.368 1.00 0.00 C ATOM 1149 CG2 VAL A 74 -12.058 12.114 -0.705 1.00 0.00 C ATOM 0 H VAL A 74 -11.760 15.621 -2.550 1.00 0.00 H new ATOM 0 HA VAL A 74 -13.520 13.378 -2.533 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.102 13.303 -2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.143 13.922 -0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.794 15.334 -0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.709 14.617 0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -11.129 11.679 -0.337 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.751 12.247 0.126 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.502 11.448 -1.445 1.00 0.00 H new ATOM 1159 N ASP A 75 -14.863 13.453 -0.434 1.00 0.00 N ATOM 1160 CA ASP A 75 -15.866 13.625 0.603 1.00 0.00 C ATOM 1161 C ASP A 75 -15.308 13.122 1.936 1.00 0.00 C ATOM 1162 O ASP A 75 -14.101 12.931 2.075 1.00 0.00 O ATOM 1163 CB ASP A 75 -17.130 12.823 0.286 1.00 0.00 C ATOM 1164 CG ASP A 75 -18.446 13.562 0.539 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -18.404 14.548 1.306 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -19.463 13.125 -0.041 1.00 0.00 O ATOM 0 H ASP A 75 -14.845 12.527 -0.860 1.00 0.00 H new ATOM 0 HA ASP A 75 -16.116 14.685 0.657 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -17.097 12.520 -0.760 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -17.123 11.911 0.883 1.00 0.00 H new ATOM 1171 N GLU A 76 -16.213 12.920 2.882 1.00 0.00 N ATOM 1172 CA GLU A 76 -15.827 12.442 4.198 1.00 0.00 C ATOM 1173 C GLU A 76 -15.797 10.912 4.220 1.00 0.00 C ATOM 1174 O GLU A 76 -15.041 10.313 4.983 1.00 0.00 O ATOM 1175 CB GLU A 76 -16.764 12.987 5.277 1.00 0.00 C ATOM 1176 CG GLU A 76 -18.180 12.434 5.104 1.00 0.00 C ATOM 1177 CD GLU A 76 -19.229 13.489 5.463 1.00 0.00 C ATOM 1178 OE1 GLU A 76 -19.315 14.483 4.709 1.00 0.00 O ATOM 1179 OE2 GLU A 76 -19.920 13.278 6.483 1.00 0.00 O ATOM 0 H GLU A 76 -17.213 13.079 2.763 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.824 12.809 4.416 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -16.383 12.720 6.263 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.786 14.076 5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -18.324 12.109 4.074 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -18.311 11.556 5.736 1.00 0.00 H new ATOM 1186 N LYS A 77 -16.630 10.324 3.374 1.00 0.00 N ATOM 1187 CA LYS A 77 -16.708 8.876 3.286 1.00 0.00 C ATOM 1188 C LYS A 77 -15.636 8.369 2.320 1.00 0.00 C ATOM 1189 O LYS A 77 -15.925 7.569 1.430 1.00 0.00 O ATOM 1190 CB LYS A 77 -18.127 8.438 2.916 1.00 0.00 C ATOM 1191 CG LYS A 77 -19.166 9.155 3.781 1.00 0.00 C ATOM 1192 CD LYS A 77 -20.563 9.039 3.169 1.00 0.00 C ATOM 1193 CE LYS A 77 -21.002 7.577 3.076 1.00 0.00 C ATOM 1194 NZ LYS A 77 -21.099 6.978 4.426 1.00 0.00 N ATOM 0 H LYS A 77 -17.257 10.824 2.743 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.502 8.424 4.256 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.315 8.652 1.864 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.224 7.360 3.044 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.168 8.727 4.783 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -18.896 10.206 3.884 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -21.276 9.599 3.774 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.567 9.487 2.175 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -21.967 7.512 2.573 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -20.289 7.015 2.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -21.632 6.086 4.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -20.144 6.789 4.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -21.590 7.637 5.064 1.00 0.00 H new ATOM 1208 N ALA A 78 -14.421 8.854 2.527 1.00 0.00 N ATOM 1209 CA ALA A 78 -13.304 8.460 1.685 1.00 0.00 C ATOM 1210 C ALA A 78 -12.023 8.439 2.521 1.00 0.00 C ATOM 1211 O ALA A 78 -11.254 7.481 2.461 1.00 0.00 O ATOM 1212 CB ALA A 78 -13.205 9.410 0.490 1.00 0.00 C ATOM 0 H ALA A 78 -14.185 9.517 3.266 1.00 0.00 H new ATOM 0 HA ALA A 78 -13.457 7.455 1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -12.367 9.114 -0.141 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.128 9.365 -0.088 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.049 10.428 0.847 1.00 0.00 H new ATOM 1218 N PHE A 79 -11.834 9.507 3.282 1.00 0.00 N ATOM 1219 CA PHE A 79 -10.659 9.623 4.129 1.00 0.00 C ATOM 1220 C PHE A 79 -10.495 8.384 5.012 1.00 0.00 C ATOM 1221 O PHE A 79 -11.434 7.973 5.692 1.00 0.00 O ATOM 1222 CB PHE A 79 -10.872 10.846 5.023 1.00 0.00 C ATOM 1223 CG PHE A 79 -10.725 12.183 4.293 1.00 0.00 C ATOM 1224 CD1 PHE A 79 -11.796 12.735 3.663 1.00 0.00 C ATOM 1225 CD2 PHE A 79 -9.523 12.820 4.275 1.00 0.00 C ATOM 1226 CE1 PHE A 79 -11.659 13.976 2.986 1.00 0.00 C ATOM 1227 CE2 PHE A 79 -9.386 14.060 3.598 1.00 0.00 C ATOM 1228 CZ PHE A 79 -10.458 14.612 2.967 1.00 0.00 C ATOM 0 H PHE A 79 -12.474 10.299 3.330 1.00 0.00 H new ATOM 0 HA PHE A 79 -9.765 9.719 3.513 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.867 10.792 5.464 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -10.157 10.812 5.845 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.751 12.230 3.677 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.673 12.382 4.776 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -12.510 14.415 2.486 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.432 14.565 3.584 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.354 15.555 2.451 1.00 0.00 H new ATOM 1238 N PHE A 80 -9.295 7.824 4.972 1.00 0.00 N ATOM 1239 CA PHE A 80 -8.995 6.640 5.760 1.00 0.00 C ATOM 1240 C PHE A 80 -7.570 6.695 6.313 1.00 0.00 C ATOM 1241 O PHE A 80 -6.624 6.966 5.574 1.00 0.00 O ATOM 1242 CB PHE A 80 -9.120 5.436 4.824 1.00 0.00 C ATOM 1243 CG PHE A 80 -8.077 5.408 3.704 1.00 0.00 C ATOM 1244 CD1 PHE A 80 -8.225 6.211 2.617 1.00 0.00 C ATOM 1245 CD2 PHE A 80 -7.003 4.579 3.797 1.00 0.00 C ATOM 1246 CE1 PHE A 80 -7.257 6.184 1.578 1.00 0.00 C ATOM 1247 CE2 PHE A 80 -6.035 4.553 2.758 1.00 0.00 C ATOM 1248 CZ PHE A 80 -6.183 5.356 1.671 1.00 0.00 C ATOM 0 H PHE A 80 -8.519 8.168 4.406 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.681 6.572 6.604 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -9.033 4.522 5.411 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -10.115 5.436 4.380 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -9.078 6.869 2.544 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.886 3.941 4.660 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -7.374 6.821 0.714 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.181 3.895 2.831 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.447 5.336 0.881 1.00 0.00 H new ATOM 1258 N ASP A 81 -7.461 6.434 7.607 1.00 0.00 N ATOM 1259 CA ASP A 81 -6.166 6.451 8.267 1.00 0.00 C ATOM 1260 C ASP A 81 -5.548 5.053 8.203 1.00 0.00 C ATOM 1261 O ASP A 81 -6.209 4.063 8.514 1.00 0.00 O ATOM 1262 CB ASP A 81 -6.305 6.840 9.741 1.00 0.00 C ATOM 1263 CG ASP A 81 -5.512 8.080 10.159 1.00 0.00 C ATOM 1264 OD1 ASP A 81 -5.554 9.066 9.392 1.00 0.00 O ATOM 1265 OD2 ASP A 81 -4.883 8.014 11.237 1.00 0.00 O ATOM 0 H ASP A 81 -8.248 6.210 8.216 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.537 7.182 7.759 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.359 7.011 9.958 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.985 5.998 10.355 1.00 0.00 H new ATOM 1270 N VAL A 82 -4.287 5.017 7.798 1.00 0.00 N ATOM 1271 CA VAL A 82 -3.572 3.757 7.690 1.00 0.00 C ATOM 1272 C VAL A 82 -2.605 3.621 8.867 1.00 0.00 C ATOM 1273 O VAL A 82 -1.632 4.367 8.965 1.00 0.00 O ATOM 1274 CB VAL A 82 -2.875 3.666 6.330 1.00 0.00 C ATOM 1275 CG1 VAL A 82 -1.844 2.535 6.317 1.00 0.00 C ATOM 1276 CG2 VAL A 82 -3.894 3.493 5.203 1.00 0.00 C ATOM 0 H VAL A 82 -3.742 5.840 7.541 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.266 2.918 7.742 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.345 4.603 6.161 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.363 2.492 5.340 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.091 2.720 7.084 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.342 1.587 6.519 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.373 3.431 4.248 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.464 2.578 5.365 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.572 4.346 5.192 1.00 0.00 H new ATOM 1286 N LYS A 83 -2.906 2.663 9.732 1.00 0.00 N ATOM 1287 CA LYS A 83 -2.076 2.420 10.899 1.00 0.00 C ATOM 1288 C LYS A 83 -0.995 1.397 10.546 1.00 0.00 C ATOM 1289 O LYS A 83 -1.299 0.309 10.059 1.00 0.00 O ATOM 1290 CB LYS A 83 -2.939 2.014 12.096 1.00 0.00 C ATOM 1291 CG LYS A 83 -3.802 3.185 12.571 1.00 0.00 C ATOM 1292 CD LYS A 83 -4.500 2.851 13.891 1.00 0.00 C ATOM 1293 CE LYS A 83 -5.239 4.071 14.444 1.00 0.00 C ATOM 1294 NZ LYS A 83 -6.469 3.655 15.154 1.00 0.00 N ATOM 0 H LYS A 83 -3.714 2.046 9.647 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.565 3.335 11.200 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.578 1.175 11.821 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.300 1.674 12.911 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.181 4.071 12.698 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.547 3.424 11.812 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.204 2.033 13.737 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -3.765 2.506 14.618 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.588 4.620 15.124 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.494 4.749 13.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.958 4.495 15.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -7.096 3.151 14.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.218 3.026 15.943 1.00 0.00 H new ATOM 1308 N THR A 84 0.247 1.781 10.805 1.00 0.00 N ATOM 1309 CA THR A 84 1.375 0.911 10.521 1.00 0.00 C ATOM 1310 C THR A 84 2.321 0.854 11.722 1.00 0.00 C ATOM 1311 O THR A 84 2.293 1.735 12.581 1.00 0.00 O ATOM 1312 CB THR A 84 2.047 1.411 9.241 1.00 0.00 C ATOM 1313 OG1 THR A 84 1.966 2.831 9.338 1.00 0.00 O ATOM 1314 CG2 THR A 84 1.239 1.077 7.986 1.00 0.00 C ATOM 0 H THR A 84 0.496 2.684 11.209 1.00 0.00 H new ATOM 0 HA THR A 84 1.050 -0.116 10.355 1.00 0.00 H new ATOM 0 HB THR A 84 3.042 0.973 9.159 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.235 3.113 10.237 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.761 1.454 7.106 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.124 -0.004 7.904 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.256 1.542 8.052 1.00 0.00 H new ATOM 1322 N THR A 85 3.136 -0.190 11.744 1.00 0.00 N ATOM 1323 CA THR A 85 4.089 -0.373 12.826 1.00 0.00 C ATOM 1324 C THR A 85 4.894 0.908 13.050 1.00 0.00 C ATOM 1325 O THR A 85 5.063 1.350 14.185 1.00 0.00 O ATOM 1326 CB THR A 85 4.958 -1.586 12.490 1.00 0.00 C ATOM 1327 OG1 THR A 85 5.547 -1.255 11.235 1.00 0.00 O ATOM 1328 CG2 THR A 85 4.128 -2.837 12.194 1.00 0.00 C ATOM 0 H THR A 85 3.156 -0.918 11.030 1.00 0.00 H new ATOM 0 HA THR A 85 3.582 -0.570 13.771 1.00 0.00 H new ATOM 0 HB THR A 85 5.635 -1.788 13.320 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.129 -1.988 10.943 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.793 -3.669 11.962 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.524 -3.088 13.066 1.00 0.00 H new ATOM 0 HG23 THR A 85 3.474 -2.647 11.343 1.00 0.00 H new ATOM 1336 N ARG A 86 5.370 1.470 11.948 1.00 0.00 N ATOM 1337 CA ARG A 86 6.154 2.692 12.009 1.00 0.00 C ATOM 1338 C ARG A 86 5.361 3.796 12.711 1.00 0.00 C ATOM 1339 O ARG A 86 5.668 4.162 13.844 1.00 0.00 O ATOM 1340 CB ARG A 86 6.545 3.166 10.608 1.00 0.00 C ATOM 1341 CG ARG A 86 7.850 2.510 10.152 1.00 0.00 C ATOM 1342 CD ARG A 86 8.806 3.546 9.557 1.00 0.00 C ATOM 1343 NE ARG A 86 9.925 2.865 8.869 1.00 0.00 N ATOM 1344 CZ ARG A 86 10.794 3.482 8.056 1.00 0.00 C ATOM 1345 NH1 ARG A 86 10.677 4.796 7.824 1.00 0.00 N ATOM 1346 NH2 ARG A 86 11.779 2.784 7.474 1.00 0.00 N ATOM 0 H ARG A 86 5.228 1.101 11.008 1.00 0.00 H new ATOM 0 HA ARG A 86 7.061 2.476 12.573 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.748 2.927 9.904 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.658 4.250 10.605 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.326 2.014 10.997 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.635 1.741 9.411 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.271 4.185 8.854 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.192 4.192 10.346 1.00 0.00 H new ATOM 0 HE ARG A 86 10.042 1.864 9.023 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.927 5.327 8.266 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.338 5.266 7.205 1.00 0.00 H new ATOM 0 HH21 ARG A 86 11.867 1.783 7.650 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.440 3.254 6.855 1.00 0.00 H new ATOM 1360 N ARG A 87 4.355 4.297 12.008 1.00 0.00 N ATOM 1361 CA ARG A 87 3.516 5.352 12.549 1.00 0.00 C ATOM 1362 C ARG A 87 2.144 5.338 11.873 1.00 0.00 C ATOM 1363 O ARG A 87 1.818 4.405 11.141 1.00 0.00 O ATOM 1364 CB ARG A 87 4.161 6.725 12.351 1.00 0.00 C ATOM 1365 CG ARG A 87 4.229 7.090 10.867 1.00 0.00 C ATOM 1366 CD ARG A 87 5.588 7.697 10.513 1.00 0.00 C ATOM 1367 NE ARG A 87 5.451 8.599 9.347 1.00 0.00 N ATOM 1368 CZ ARG A 87 6.487 9.129 8.682 1.00 0.00 C ATOM 1369 NH1 ARG A 87 7.741 8.851 9.063 1.00 0.00 N ATOM 1370 NH2 ARG A 87 6.268 9.936 7.635 1.00 0.00 N ATOM 0 H ARG A 87 4.103 3.991 11.068 1.00 0.00 H new ATOM 0 HA ARG A 87 3.400 5.169 13.617 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.589 7.481 12.889 1.00 0.00 H new ATOM 0 HB3 ARG A 87 5.165 6.724 12.775 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.055 6.200 10.262 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.436 7.799 10.627 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.982 8.249 11.366 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.302 6.905 10.288 1.00 0.00 H new ATOM 0 HE ARG A 87 4.510 8.832 9.030 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.908 8.236 9.859 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.529 9.255 8.557 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.313 10.147 7.344 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.056 10.340 7.129 1.00 0.00 H new ATOM 1384 N VAL A 88 1.376 6.385 12.141 1.00 0.00 N ATOM 1385 CA VAL A 88 0.047 6.505 11.568 1.00 0.00 C ATOM 1386 C VAL A 88 0.087 7.492 10.400 1.00 0.00 C ATOM 1387 O VAL A 88 0.864 8.446 10.415 1.00 0.00 O ATOM 1388 CB VAL A 88 -0.957 6.902 12.652 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -2.162 7.623 12.045 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.399 5.682 13.463 1.00 0.00 C ATOM 0 H VAL A 88 1.650 7.158 12.748 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.286 5.546 11.172 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.460 7.594 13.332 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.860 7.894 12.837 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.826 8.525 11.533 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.659 6.965 11.333 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.112 5.992 14.227 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.869 4.956 12.800 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.530 5.228 13.941 1.00 0.00 H new ATOM 1400 N TYR A 89 -0.760 7.230 9.415 1.00 0.00 N ATOM 1401 CA TYR A 89 -0.830 8.084 8.242 1.00 0.00 C ATOM 1402 C TYR A 89 -2.244 8.637 8.050 1.00 0.00 C ATOM 1403 O TYR A 89 -3.204 8.103 8.605 1.00 0.00 O ATOM 1404 CB TYR A 89 -0.479 7.192 7.049 1.00 0.00 C ATOM 1405 CG TYR A 89 0.929 6.595 7.113 1.00 0.00 C ATOM 1406 CD1 TYR A 89 2.014 7.411 7.359 1.00 0.00 C ATOM 1407 CD2 TYR A 89 1.113 5.241 6.923 1.00 0.00 C ATOM 1408 CE1 TYR A 89 3.338 6.849 7.418 1.00 0.00 C ATOM 1409 CE2 TYR A 89 2.437 4.679 6.983 1.00 0.00 C ATOM 1410 CZ TYR A 89 3.485 5.511 7.227 1.00 0.00 C ATOM 1411 OH TYR A 89 4.735 4.980 7.284 1.00 0.00 O ATOM 0 H TYR A 89 -1.403 6.438 9.406 1.00 0.00 H new ATOM 0 HA TYR A 89 -0.153 8.932 8.344 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.204 6.381 6.989 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.575 7.774 6.132 1.00 0.00 H new ATOM 0 HD1 TYR A 89 1.870 8.471 7.507 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.264 4.603 6.729 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.196 7.477 7.610 1.00 0.00 H new ATOM 0 HE2 TYR A 89 2.595 3.621 6.838 1.00 0.00 H new ATOM 0 HH TYR A 89 4.687 4.013 7.130 1.00 0.00 H new ATOM 1421 N ASN A 90 -2.328 9.699 7.263 1.00 0.00 N ATOM 1422 CA ASN A 90 -3.609 10.330 6.991 1.00 0.00 C ATOM 1423 C ASN A 90 -3.842 10.371 5.480 1.00 0.00 C ATOM 1424 O ASN A 90 -3.636 11.404 4.844 1.00 0.00 O ATOM 1425 CB ASN A 90 -3.636 11.768 7.514 1.00 0.00 C ATOM 1426 CG ASN A 90 -4.471 11.872 8.791 1.00 0.00 C ATOM 1427 OD1 ASN A 90 -5.637 12.230 8.774 1.00 0.00 O ATOM 1428 ND2 ASN A 90 -3.812 11.538 9.897 1.00 0.00 N ATOM 0 H ASN A 90 -1.530 10.139 6.805 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.384 9.750 7.491 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -2.619 12.106 7.712 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.048 12.428 6.751 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.283 11.573 10.801 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.836 11.247 9.841 1.00 0.00 H new ATOM 1435 N PHE A 91 -4.268 9.235 4.948 1.00 0.00 N ATOM 1436 CA PHE A 91 -4.531 9.129 3.523 1.00 0.00 C ATOM 1437 C PHE A 91 -6.019 9.325 3.224 1.00 0.00 C ATOM 1438 O PHE A 91 -6.856 9.212 4.118 1.00 0.00 O ATOM 1439 CB PHE A 91 -4.119 7.719 3.096 1.00 0.00 C ATOM 1440 CG PHE A 91 -2.611 7.467 3.153 1.00 0.00 C ATOM 1441 CD1 PHE A 91 -1.745 8.425 2.726 1.00 0.00 C ATOM 1442 CD2 PHE A 91 -2.136 6.285 3.631 1.00 0.00 C ATOM 1443 CE1 PHE A 91 -0.345 8.191 2.779 1.00 0.00 C ATOM 1444 CE2 PHE A 91 -0.737 6.052 3.684 1.00 0.00 C ATOM 1445 CZ PHE A 91 0.129 7.010 3.257 1.00 0.00 C ATOM 0 H PHE A 91 -4.438 8.380 5.478 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.975 9.896 2.984 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.622 6.995 3.737 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.468 7.542 2.079 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.122 9.363 2.347 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.823 5.524 3.970 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.343 8.951 2.440 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.360 5.114 4.063 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.194 6.832 3.298 1.00 0.00 H new ATOM 1455 N CYS A 92 -6.303 9.616 1.963 1.00 0.00 N ATOM 1456 CA CYS A 92 -7.675 9.829 1.534 1.00 0.00 C ATOM 1457 C CYS A 92 -7.712 9.793 0.005 1.00 0.00 C ATOM 1458 O CYS A 92 -6.813 10.314 -0.653 1.00 0.00 O ATOM 1459 CB CYS A 92 -8.244 11.137 2.088 1.00 0.00 C ATOM 1460 SG CYS A 92 -7.135 12.530 1.666 1.00 0.00 S ATOM 0 H CYS A 92 -5.606 9.709 1.224 1.00 0.00 H new ATOM 0 HA CYS A 92 -8.310 9.036 1.930 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -9.237 11.314 1.676 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -8.356 11.065 3.170 1.00 0.00 H new ATOM 0 HG CYS A 92 -7.569 13.617 2.232 1.00 0.00 H new ATOM 1466 N ALA A 93 -8.761 9.173 -0.515 1.00 0.00 N ATOM 1467 CA ALA A 93 -8.927 9.062 -1.954 1.00 0.00 C ATOM 1468 C ALA A 93 -9.589 10.335 -2.486 1.00 0.00 C ATOM 1469 O ALA A 93 -9.822 11.279 -1.733 1.00 0.00 O ATOM 1470 CB ALA A 93 -9.736 7.804 -2.279 1.00 0.00 C ATOM 0 H ALA A 93 -9.505 8.742 0.035 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.959 8.963 -2.446 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.861 7.720 -3.359 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.209 6.926 -1.906 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.715 7.868 -1.805 1.00 0.00 H new ATOM 1476 N GLN A 94 -9.873 10.319 -3.780 1.00 0.00 N ATOM 1477 CA GLN A 94 -10.504 11.460 -4.422 1.00 0.00 C ATOM 1478 C GLN A 94 -12.013 11.235 -4.541 1.00 0.00 C ATOM 1479 O GLN A 94 -12.766 12.174 -4.792 1.00 0.00 O ATOM 1480 CB GLN A 94 -9.880 11.732 -5.792 1.00 0.00 C ATOM 1481 CG GLN A 94 -8.893 12.900 -5.723 1.00 0.00 C ATOM 1482 CD GLN A 94 -9.274 13.999 -6.717 1.00 0.00 C ATOM 1483 OE1 GLN A 94 -8.790 14.055 -7.835 1.00 0.00 O ATOM 1484 NE2 GLN A 94 -10.166 14.867 -6.248 1.00 0.00 N ATOM 0 H GLN A 94 -9.678 9.534 -4.401 1.00 0.00 H new ATOM 0 HA GLN A 94 -10.336 12.340 -3.802 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -9.367 10.838 -6.146 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.664 11.956 -6.515 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.877 13.308 -4.712 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.886 12.543 -5.938 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -10.531 14.762 -5.301 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.485 15.638 -6.835 1.00 0.00 H new ATOM 1493 N ASP A 95 -12.409 9.984 -4.357 1.00 0.00 N ATOM 1494 CA ASP A 95 -13.814 9.624 -4.441 1.00 0.00 C ATOM 1495 C ASP A 95 -14.199 8.800 -3.210 1.00 0.00 C ATOM 1496 O ASP A 95 -13.335 8.232 -2.544 1.00 0.00 O ATOM 1497 CB ASP A 95 -14.092 8.776 -5.684 1.00 0.00 C ATOM 1498 CG ASP A 95 -15.232 9.282 -6.569 1.00 0.00 C ATOM 1499 OD1 ASP A 95 -16.039 10.085 -6.052 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -15.271 8.854 -7.743 1.00 0.00 O ATOM 0 H ASP A 95 -11.781 9.207 -4.150 1.00 0.00 H new ATOM 0 HA ASP A 95 -14.396 10.544 -4.495 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -13.182 8.726 -6.282 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.322 7.759 -5.368 1.00 0.00 H new ATOM 1505 N VAL A 96 -15.497 8.760 -2.947 1.00 0.00 N ATOM 1506 CA VAL A 96 -16.007 8.015 -1.809 1.00 0.00 C ATOM 1507 C VAL A 96 -15.920 6.517 -2.105 1.00 0.00 C ATOM 1508 O VAL A 96 -15.447 5.743 -1.274 1.00 0.00 O ATOM 1509 CB VAL A 96 -17.427 8.477 -1.475 1.00 0.00 C ATOM 1510 CG1 VAL A 96 -18.294 7.300 -1.023 1.00 0.00 C ATOM 1511 CG2 VAL A 96 -17.410 9.583 -0.418 1.00 0.00 C ATOM 0 H VAL A 96 -16.211 9.232 -3.503 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.400 8.207 -0.924 1.00 0.00 H new ATOM 0 HB VAL A 96 -17.867 8.889 -2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -19.298 7.655 -0.792 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -18.346 6.559 -1.821 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -17.856 6.846 -0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -18.432 9.893 -0.199 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -16.941 9.209 0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -16.845 10.436 -0.793 1.00 0.00 H new ATOM 1521 N PRO A 97 -16.395 6.143 -3.323 1.00 0.00 N ATOM 1522 CA PRO A 97 -16.375 4.751 -3.739 1.00 0.00 C ATOM 1523 C PRO A 97 -14.959 4.313 -4.119 1.00 0.00 C ATOM 1524 O PRO A 97 -14.683 3.119 -4.224 1.00 0.00 O ATOM 1525 CB PRO A 97 -17.352 4.674 -4.901 1.00 0.00 C ATOM 1526 CG PRO A 97 -17.531 6.102 -5.391 1.00 0.00 C ATOM 1527 CD PRO A 97 -16.962 7.033 -4.333 1.00 0.00 C ATOM 0 HA PRO A 97 -16.670 4.069 -2.942 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.965 4.034 -5.694 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.304 4.248 -4.583 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -17.018 6.246 -6.342 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.586 6.318 -5.562 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -16.201 7.692 -4.753 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -17.737 7.671 -3.909 1.00 0.00 H new ATOM 1535 N SER A 98 -14.100 5.302 -4.314 1.00 0.00 N ATOM 1536 CA SER A 98 -12.720 5.033 -4.679 1.00 0.00 C ATOM 1537 C SER A 98 -11.901 4.708 -3.428 1.00 0.00 C ATOM 1538 O SER A 98 -10.994 3.878 -3.474 1.00 0.00 O ATOM 1539 CB SER A 98 -12.105 6.221 -5.421 1.00 0.00 C ATOM 1540 OG SER A 98 -12.833 6.548 -6.602 1.00 0.00 O ATOM 0 H SER A 98 -14.333 6.291 -4.226 1.00 0.00 H new ATOM 0 HA SER A 98 -12.705 4.173 -5.349 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.079 7.087 -4.760 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.073 5.989 -5.684 1.00 0.00 H new ATOM 0 HG SER A 98 -12.259 7.060 -7.209 1.00 0.00 H new ATOM 1546 N ALA A 99 -12.250 5.379 -2.340 1.00 0.00 N ATOM 1547 CA ALA A 99 -11.559 5.171 -1.079 1.00 0.00 C ATOM 1548 C ALA A 99 -11.843 3.756 -0.573 1.00 0.00 C ATOM 1549 O ALA A 99 -10.920 3.015 -0.239 1.00 0.00 O ATOM 1550 CB ALA A 99 -11.989 6.246 -0.078 1.00 0.00 C ATOM 0 H ALA A 99 -13.002 6.067 -2.306 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.481 5.262 -1.213 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.471 6.090 0.868 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.738 7.231 -0.472 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -13.065 6.183 0.083 1.00 0.00 H new ATOM 1556 N GLN A 100 -13.125 3.422 -0.533 1.00 0.00 N ATOM 1557 CA GLN A 100 -13.543 2.109 -0.074 1.00 0.00 C ATOM 1558 C GLN A 100 -12.701 1.020 -0.743 1.00 0.00 C ATOM 1559 O GLN A 100 -12.366 0.016 -0.117 1.00 0.00 O ATOM 1560 CB GLN A 100 -15.034 1.886 -0.333 1.00 0.00 C ATOM 1561 CG GLN A 100 -15.880 2.924 0.406 1.00 0.00 C ATOM 1562 CD GLN A 100 -16.189 2.464 1.833 1.00 0.00 C ATOM 1563 OE1 GLN A 100 -15.673 1.471 2.318 1.00 0.00 O ATOM 1564 NE2 GLN A 100 -17.057 3.241 2.475 1.00 0.00 N ATOM 0 H GLN A 100 -13.888 4.039 -0.811 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.383 2.054 1.003 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -15.234 1.944 -1.403 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.317 0.884 -0.010 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.351 3.877 0.434 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -16.811 3.092 -0.135 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -17.451 4.058 2.009 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -17.328 3.020 3.433 1.00 0.00 H new ATOM 1573 N GLN A 101 -12.384 1.256 -2.008 1.00 0.00 N ATOM 1574 CA GLN A 101 -11.588 0.308 -2.769 1.00 0.00 C ATOM 1575 C GLN A 101 -10.168 0.234 -2.206 1.00 0.00 C ATOM 1576 O GLN A 101 -9.550 -0.829 -2.206 1.00 0.00 O ATOM 1577 CB GLN A 101 -11.570 0.675 -4.254 1.00 0.00 C ATOM 1578 CG GLN A 101 -12.938 0.431 -4.896 1.00 0.00 C ATOM 1579 CD GLN A 101 -12.789 -0.007 -6.354 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -11.851 -0.689 -6.732 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -13.765 0.421 -7.150 1.00 0.00 N ATOM 0 H GLN A 101 -12.664 2.090 -2.525 1.00 0.00 H new ATOM 0 HA GLN A 101 -12.046 -0.677 -2.677 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -11.291 1.722 -4.370 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -10.812 0.085 -4.769 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -13.475 -0.334 -4.336 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -13.535 1.341 -4.845 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -14.522 0.989 -6.769 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -13.757 0.181 -8.141 1.00 0.00 H new ATOM 1590 N TRP A 102 -9.691 1.379 -1.738 1.00 0.00 N ATOM 1591 CA TRP A 102 -8.355 1.458 -1.172 1.00 0.00 C ATOM 1592 C TRP A 102 -8.347 0.663 0.135 1.00 0.00 C ATOM 1593 O TRP A 102 -7.521 -0.229 0.319 1.00 0.00 O ATOM 1594 CB TRP A 102 -7.922 2.914 -0.990 1.00 0.00 C ATOM 1595 CG TRP A 102 -7.297 3.538 -2.239 1.00 0.00 C ATOM 1596 CD1 TRP A 102 -7.863 4.386 -3.109 1.00 0.00 C ATOM 1597 CD2 TRP A 102 -5.954 3.329 -2.725 1.00 0.00 C ATOM 1598 NE1 TRP A 102 -6.987 4.736 -4.116 1.00 0.00 N ATOM 1599 CE2 TRP A 102 -5.790 4.073 -3.875 1.00 0.00 C ATOM 1600 CE3 TRP A 102 -4.913 2.537 -2.210 1.00 0.00 C ATOM 1601 CZ2 TRP A 102 -4.597 4.099 -4.608 1.00 0.00 C ATOM 1602 CZ3 TRP A 102 -3.727 2.574 -2.954 1.00 0.00 C ATOM 1603 CH2 TRP A 102 -3.546 3.318 -4.113 1.00 0.00 C ATOM 0 H TRP A 102 -10.206 2.259 -1.739 1.00 0.00 H new ATOM 0 HA TRP A 102 -7.622 1.020 -1.850 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.789 3.506 -0.695 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -7.205 2.969 -0.171 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.877 4.750 -3.032 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.182 5.366 -4.894 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -5.019 1.947 -1.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -4.493 4.689 -5.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.895 1.983 -2.602 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -2.598 3.294 -4.630 1.00 0.00 H new ATOM 1614 N VAL A 103 -9.277 1.016 1.011 1.00 0.00 N ATOM 1615 CA VAL A 103 -9.387 0.348 2.296 1.00 0.00 C ATOM 1616 C VAL A 103 -9.338 -1.167 2.084 1.00 0.00 C ATOM 1617 O VAL A 103 -8.422 -1.834 2.561 1.00 0.00 O ATOM 1618 CB VAL A 103 -10.655 0.809 3.018 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -10.873 0.011 4.305 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -10.606 2.311 3.306 1.00 0.00 C ATOM 0 H VAL A 103 -9.961 1.756 0.855 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.547 0.614 2.938 1.00 0.00 H new ATOM 0 HB VAL A 103 -11.503 0.622 2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -11.781 0.358 4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -10.973 -1.047 4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -10.021 0.153 4.970 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -11.519 2.613 3.820 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.745 2.533 3.936 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.519 2.859 2.368 1.00 0.00 H new ATOM 1630 N ASP A 104 -10.335 -1.665 1.367 1.00 0.00 N ATOM 1631 CA ASP A 104 -10.417 -3.088 1.086 1.00 0.00 C ATOM 1632 C ASP A 104 -9.029 -3.609 0.708 1.00 0.00 C ATOM 1633 O ASP A 104 -8.486 -4.484 1.382 1.00 0.00 O ATOM 1634 CB ASP A 104 -11.361 -3.365 -0.086 1.00 0.00 C ATOM 1635 CG ASP A 104 -11.921 -4.787 -0.142 1.00 0.00 C ATOM 1636 OD1 ASP A 104 -12.386 -5.257 0.919 1.00 0.00 O ATOM 1637 OD2 ASP A 104 -11.873 -5.373 -1.246 1.00 0.00 O ATOM 0 H ASP A 104 -11.093 -1.108 0.972 1.00 0.00 H new ATOM 0 HA ASP A 104 -10.795 -3.587 1.979 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -12.194 -2.664 -0.035 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -10.830 -3.163 -1.016 1.00 0.00 H new ATOM 1642 N ARG A 105 -8.495 -3.051 -0.368 1.00 0.00 N ATOM 1643 CA ARG A 105 -7.180 -3.448 -0.843 1.00 0.00 C ATOM 1644 C ARG A 105 -6.214 -3.600 0.333 1.00 0.00 C ATOM 1645 O ARG A 105 -5.826 -4.714 0.683 1.00 0.00 O ATOM 1646 CB ARG A 105 -6.617 -2.422 -1.828 1.00 0.00 C ATOM 1647 CG ARG A 105 -6.818 -2.881 -3.273 1.00 0.00 C ATOM 1648 CD ARG A 105 -8.190 -2.456 -3.798 1.00 0.00 C ATOM 1649 NE ARG A 105 -8.441 -3.075 -5.119 1.00 0.00 N ATOM 1650 CZ ARG A 105 -9.659 -3.241 -5.652 1.00 0.00 C ATOM 1651 NH1 ARG A 105 -10.745 -2.835 -4.980 1.00 0.00 N ATOM 1652 NH2 ARG A 105 -9.792 -3.813 -6.856 1.00 0.00 N ATOM 0 H ARG A 105 -8.949 -2.327 -0.925 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.287 -4.404 -1.355 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -7.107 -1.460 -1.677 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -5.555 -2.272 -1.635 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.036 -2.459 -3.904 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -6.723 -3.965 -3.330 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -8.966 -2.755 -3.094 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -8.236 -1.370 -3.881 1.00 0.00 H new ATOM 0 HE ARG A 105 -7.636 -3.395 -5.657 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -10.644 -2.400 -4.063 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -11.672 -2.961 -5.385 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -8.966 -4.123 -7.368 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -10.720 -3.939 -7.261 1.00 0.00 H new ATOM 1666 N ILE A 106 -5.853 -2.464 0.912 1.00 0.00 N ATOM 1667 CA ILE A 106 -4.940 -2.456 2.042 1.00 0.00 C ATOM 1668 C ILE A 106 -5.408 -3.480 3.078 1.00 0.00 C ATOM 1669 O ILE A 106 -4.613 -4.280 3.570 1.00 0.00 O ATOM 1670 CB ILE A 106 -4.790 -1.040 2.601 1.00 0.00 C ATOM 1671 CG1 ILE A 106 -4.212 -0.093 1.547 1.00 0.00 C ATOM 1672 CG2 ILE A 106 -3.961 -1.043 3.886 1.00 0.00 C ATOM 1673 CD1 ILE A 106 -4.782 1.318 1.707 1.00 0.00 C ATOM 0 H ILE A 106 -6.177 -1.542 0.619 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.941 -2.756 1.726 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.781 -0.667 2.859 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.126 -0.063 1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.439 -0.470 0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.870 -0.024 4.262 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.453 -1.664 4.635 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.969 -1.443 3.678 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.355 1.971 0.946 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.866 1.288 1.593 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.532 1.701 2.696 1.00 0.00 H new ATOM 1685 N GLN A 107 -6.697 -3.422 3.379 1.00 0.00 N ATOM 1686 CA GLN A 107 -7.281 -4.334 4.348 1.00 0.00 C ATOM 1687 C GLN A 107 -7.072 -5.784 3.905 1.00 0.00 C ATOM 1688 O GLN A 107 -7.088 -6.697 4.729 1.00 0.00 O ATOM 1689 CB GLN A 107 -8.767 -4.034 4.558 1.00 0.00 C ATOM 1690 CG GLN A 107 -8.976 -3.120 5.767 1.00 0.00 C ATOM 1691 CD GLN A 107 -9.677 -3.867 6.903 1.00 0.00 C ATOM 1692 OE1 GLN A 107 -9.853 -5.073 6.872 1.00 0.00 O ATOM 1693 NE2 GLN A 107 -10.067 -3.083 7.905 1.00 0.00 N ATOM 0 H GLN A 107 -7.353 -2.758 2.969 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.776 -4.190 5.303 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.176 -3.561 3.665 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.313 -4.966 4.704 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.014 -2.744 6.114 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.570 -2.254 5.475 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.888 -2.080 7.867 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.545 -3.485 8.711 1.00 0.00 H new ATOM 1702 N SER A 108 -6.881 -5.950 2.604 1.00 0.00 N ATOM 1703 CA SER A 108 -6.669 -7.273 2.042 1.00 0.00 C ATOM 1704 C SER A 108 -5.243 -7.743 2.333 1.00 0.00 C ATOM 1705 O SER A 108 -4.895 -8.890 2.057 1.00 0.00 O ATOM 1706 CB SER A 108 -6.933 -7.280 0.535 1.00 0.00 C ATOM 1707 OG SER A 108 -7.902 -8.258 0.167 1.00 0.00 O ATOM 0 H SER A 108 -6.869 -5.190 1.923 1.00 0.00 H new ATOM 0 HA SER A 108 -7.374 -7.960 2.510 1.00 0.00 H new ATOM 0 HB2 SER A 108 -7.277 -6.294 0.223 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.001 -7.476 0.005 1.00 0.00 H new ATOM 0 HG SER A 108 -8.044 -8.230 -0.802 1.00 0.00 H new ATOM 1713 N CYS A 109 -4.455 -6.832 2.887 1.00 0.00 N ATOM 1714 CA CYS A 109 -3.074 -7.139 3.218 1.00 0.00 C ATOM 1715 C CYS A 109 -2.713 -6.397 4.506 1.00 0.00 C ATOM 1716 O CYS A 109 -1.904 -5.470 4.486 1.00 0.00 O ATOM 1717 CB CYS A 109 -2.125 -6.787 2.070 1.00 0.00 C ATOM 1718 SG CYS A 109 -1.144 -8.257 1.596 1.00 0.00 S ATOM 0 H CYS A 109 -4.747 -5.882 3.115 1.00 0.00 H new ATOM 0 HA CYS A 109 -2.965 -8.212 3.375 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -2.695 -6.428 1.213 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -1.460 -5.978 2.372 1.00 0.00 H new ATOM 0 HG CYS A 109 -1.208 -8.425 0.309 1.00 0.00 H new ATOM 1724 N LEU A 110 -3.329 -6.832 5.595 1.00 0.00 N ATOM 1725 CA LEU A 110 -3.083 -6.220 6.889 1.00 0.00 C ATOM 1726 C LEU A 110 -1.946 -6.965 7.592 1.00 0.00 C ATOM 1727 O LEU A 110 -0.781 -6.815 7.225 1.00 0.00 O ATOM 1728 CB LEU A 110 -4.374 -6.157 7.707 1.00 0.00 C ATOM 1729 CG LEU A 110 -5.479 -5.259 7.148 1.00 0.00 C ATOM 1730 CD1 LEU A 110 -6.693 -5.239 8.078 1.00 0.00 C ATOM 1731 CD2 LEU A 110 -4.951 -3.851 6.866 1.00 0.00 C ATOM 0 H LEU A 110 -3.998 -7.602 5.608 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.761 -5.186 6.766 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.769 -7.168 7.804 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -4.128 -5.814 8.712 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.809 -5.676 6.197 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.463 -4.593 7.657 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.086 -6.250 8.185 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -6.396 -4.859 9.056 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -5.757 -3.233 6.469 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.577 -3.411 7.790 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.142 -3.905 6.137 1.00 0.00 H new ATOM 1743 N SER A 111 -2.323 -7.750 8.590 1.00 0.00 N ATOM 1744 CA SER A 111 -1.349 -8.518 9.347 1.00 0.00 C ATOM 1745 C SER A 111 -0.988 -9.797 8.590 1.00 0.00 C ATOM 1746 O SER A 111 0.183 -10.045 8.306 1.00 0.00 O ATOM 1747 CB SER A 111 -1.881 -8.859 10.741 1.00 0.00 C ATOM 1748 OG SER A 111 -0.868 -8.755 11.738 1.00 0.00 O ATOM 0 H SER A 111 -3.290 -7.871 8.892 1.00 0.00 H new ATOM 0 HA SER A 111 -0.453 -7.910 9.468 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.704 -8.189 10.989 1.00 0.00 H new ATOM 0 HB3 SER A 111 -2.284 -9.872 10.738 1.00 0.00 H new ATOM 0 HG SER A 111 -1.247 -8.979 12.614 1.00 0.00 H new ATOM 1754 N SER A 112 -2.015 -10.576 8.283 1.00 0.00 N ATOM 1755 CA SER A 112 -1.821 -11.823 7.564 1.00 0.00 C ATOM 1756 C SER A 112 -0.629 -12.584 8.149 1.00 0.00 C ATOM 1757 O SER A 112 0.488 -12.479 7.645 1.00 0.00 O ATOM 1758 CB SER A 112 -1.607 -11.570 6.070 1.00 0.00 C ATOM 1759 OG SER A 112 -2.805 -11.756 5.321 1.00 0.00 O ATOM 0 H SER A 112 -2.985 -10.367 8.520 1.00 0.00 H new ATOM 0 HA SER A 112 -2.721 -12.427 7.678 1.00 0.00 H new ATOM 0 HB2 SER A 112 -1.241 -10.554 5.923 1.00 0.00 H new ATOM 0 HB3 SER A 112 -0.836 -12.243 5.695 1.00 0.00 H new ATOM 0 HG SER A 112 -2.628 -11.584 4.373 1.00 0.00 H new ATOM 1765 N GLY A 113 -0.907 -13.334 9.205 1.00 0.00 N ATOM 1766 CA GLY A 113 0.128 -14.112 9.864 1.00 0.00 C ATOM 1767 C GLY A 113 -0.410 -15.473 10.311 1.00 0.00 C ATOM 1768 O GLY A 113 -1.557 -15.815 10.027 1.00 0.00 O ATOM 0 H GLY A 113 -1.835 -13.419 9.621 1.00 0.00 H new ATOM 0 HA2 GLY A 113 0.969 -14.254 9.185 1.00 0.00 H new ATOM 0 HA3 GLY A 113 0.505 -13.564 10.728 1.00 0.00 H new ATOM 1772 N PRO A 114 0.466 -16.233 11.021 1.00 0.00 N ATOM 1773 CA PRO A 114 0.091 -17.549 11.510 1.00 0.00 C ATOM 1774 C PRO A 114 -0.844 -17.440 12.716 1.00 0.00 C ATOM 1775 O PRO A 114 -0.519 -17.913 13.803 1.00 0.00 O ATOM 1776 CB PRO A 114 1.407 -18.236 11.839 1.00 0.00 C ATOM 1777 CG PRO A 114 2.437 -17.125 11.963 1.00 0.00 C ATOM 1778 CD PRO A 114 1.833 -15.861 11.376 1.00 0.00 C ATOM 0 HA PRO A 114 -0.472 -18.126 10.776 1.00 0.00 H new ATOM 0 HB2 PRO A 114 1.330 -18.803 12.767 1.00 0.00 H new ATOM 0 HB3 PRO A 114 1.686 -18.942 11.056 1.00 0.00 H new ATOM 0 HG2 PRO A 114 2.707 -16.970 13.008 1.00 0.00 H new ATOM 0 HG3 PRO A 114 3.352 -17.392 11.434 1.00 0.00 H new ATOM 0 HD2 PRO A 114 1.846 -15.044 12.097 1.00 0.00 H new ATOM 0 HD3 PRO A 114 2.391 -15.524 10.502 1.00 0.00 H new ATOM 1786 N SER A 115 -1.988 -16.813 12.482 1.00 0.00 N ATOM 1787 CA SER A 115 -2.973 -16.636 13.535 1.00 0.00 C ATOM 1788 C SER A 115 -3.447 -17.999 14.043 1.00 0.00 C ATOM 1789 O SER A 115 -3.325 -18.300 15.229 1.00 0.00 O ATOM 1790 CB SER A 115 -4.163 -15.809 13.044 1.00 0.00 C ATOM 1791 OG SER A 115 -3.839 -14.427 12.923 1.00 0.00 O ATOM 0 H SER A 115 -2.254 -16.421 11.579 1.00 0.00 H new ATOM 0 HA SER A 115 -2.502 -16.093 14.355 1.00 0.00 H new ATOM 0 HB2 SER A 115 -4.495 -16.189 12.078 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.997 -15.927 13.736 1.00 0.00 H new ATOM 0 HG SER A 115 -4.624 -13.934 12.606 1.00 0.00 H new ATOM 1797 N SER A 116 -3.979 -18.786 13.120 1.00 0.00 N ATOM 1798 CA SER A 116 -4.472 -20.110 13.459 1.00 0.00 C ATOM 1799 C SER A 116 -3.811 -21.160 12.564 1.00 0.00 C ATOM 1800 O SER A 116 -4.408 -21.615 11.589 1.00 0.00 O ATOM 1801 CB SER A 116 -5.995 -20.182 13.325 1.00 0.00 C ATOM 1802 OG SER A 116 -6.419 -20.035 11.973 1.00 0.00 O ATOM 0 H SER A 116 -4.080 -18.532 12.137 1.00 0.00 H new ATOM 0 HA SER A 116 -4.215 -20.314 14.499 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.348 -21.137 13.714 1.00 0.00 H new ATOM 0 HB3 SER A 116 -6.450 -19.401 13.935 1.00 0.00 H new ATOM 0 HG SER A 116 -5.915 -20.653 11.403 1.00 0.00 H new ATOM 1808 N GLY A 117 -2.587 -21.514 12.927 1.00 0.00 N ATOM 1809 CA GLY A 117 -1.838 -22.502 12.169 1.00 0.00 C ATOM 1810 C GLY A 117 -0.542 -22.879 12.889 1.00 0.00 C ATOM 1811 O GLY A 117 0.338 -23.508 12.304 1.00 0.00 O ATOM 0 H GLY A 117 -2.095 -21.134 13.736 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -2.449 -23.393 12.022 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -1.607 -22.108 11.179 1.00 0.00 H new TER 1815 GLY A 117