USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 560 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 NoAdj-H: A 86 HIS HE2 : A 86 HIS NE2 : A 256 ZNZN :(H bumps) USER MOD NoAdj-H: A 114 HIS HE2 : A 114 HIS NE2 : A 456 ZNZN :(H bumps) USER MOD Set 1.1: A 91 THR OG1 : rot -83:sc= 1.05 USER MOD Set 1.2: A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 88 TYR OH : rot -111:sc= -0.938 USER MOD Set 2.2: A 93 MET CE :methyl -137:sc= -0.181 (180deg=-2.75) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-3.4!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.459 X(o=-0.46,f=-0.063) USER MOD Single : A 90 MET CE :methyl 169:sc= -3.97 (180deg=-4.62!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 160:sc= -1.96 USER MOD Single : A 101 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00454) USER MOD Single : A 106 SER OG : rot -55:sc= 0.409 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ -157:sc=-0.00717 (180deg=-0.519) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 CYS SG : rot 32:sc= 0.404 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 45:sc= 0.994 USER MOD Single : A 131 SER OG : rot 34:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 56 -2.812 15.133 13.212 1.00 0.00 N ATOM 2 CA GLY A 56 -2.140 14.087 12.463 1.00 0.00 C ATOM 3 C GLY A 56 -3.048 13.429 11.444 1.00 0.00 C ATOM 4 O GLY A 56 -2.814 13.525 10.240 1.00 0.00 O ATOM 0 HA2 GLY A 56 -1.273 14.509 11.954 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.767 13.331 13.155 1.00 0.00 H new ATOM 8 N SER A 57 -4.088 12.756 11.927 1.00 0.00 N ATOM 9 CA SER A 57 -5.032 12.074 11.050 1.00 0.00 C ATOM 10 C SER A 57 -5.976 13.072 10.386 1.00 0.00 C ATOM 11 O SER A 57 -6.495 13.979 11.037 1.00 0.00 O ATOM 12 CB SER A 57 -5.837 11.039 11.838 1.00 0.00 C ATOM 13 OG SER A 57 -6.815 11.666 12.651 1.00 0.00 O ATOM 0 H SER A 57 -4.298 12.669 12.921 1.00 0.00 H new ATOM 0 HA SER A 57 -4.464 11.565 10.271 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.321 10.348 11.148 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.165 10.449 12.461 1.00 0.00 H new ATOM 0 HG SER A 57 -7.317 10.984 13.143 1.00 0.00 H new ATOM 19 N SER A 58 -6.194 12.897 9.087 1.00 0.00 N ATOM 20 CA SER A 58 -7.072 13.784 8.333 1.00 0.00 C ATOM 21 C SER A 58 -8.517 13.300 8.396 1.00 0.00 C ATOM 22 O SER A 58 -9.452 14.099 8.384 1.00 0.00 O ATOM 23 CB SER A 58 -6.614 13.872 6.876 1.00 0.00 C ATOM 24 OG SER A 58 -7.443 14.748 6.133 1.00 0.00 O ATOM 0 H SER A 58 -5.775 12.149 8.535 1.00 0.00 H new ATOM 0 HA SER A 58 -7.020 14.775 8.783 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.582 14.222 6.836 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.632 12.880 6.425 1.00 0.00 H new ATOM 0 HG SER A 58 -7.129 14.788 5.206 1.00 0.00 H new ATOM 30 N GLY A 59 -8.691 11.983 8.463 1.00 0.00 N ATOM 31 CA GLY A 59 -10.024 11.414 8.526 1.00 0.00 C ATOM 32 C GLY A 59 -10.040 9.937 8.185 1.00 0.00 C ATOM 33 O GLY A 59 -9.018 9.371 7.797 1.00 0.00 O ATOM 0 H GLY A 59 -7.933 11.301 8.475 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.430 11.557 9.527 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.677 11.950 7.838 1.00 0.00 H new ATOM 37 N SER A 60 -11.203 9.310 8.331 1.00 0.00 N ATOM 38 CA SER A 60 -11.347 7.888 8.041 1.00 0.00 C ATOM 39 C SER A 60 -10.811 7.560 6.651 1.00 0.00 C ATOM 40 O SER A 60 -11.523 7.685 5.654 1.00 0.00 O ATOM 41 CB SER A 60 -12.815 7.471 8.145 1.00 0.00 C ATOM 42 OG SER A 60 -13.199 7.290 9.497 1.00 0.00 O ATOM 0 H SER A 60 -12.059 9.764 8.648 1.00 0.00 H new ATOM 0 HA SER A 60 -10.765 7.332 8.776 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.446 8.231 7.683 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.974 6.545 7.592 1.00 0.00 H new ATOM 0 HG SER A 60 -14.142 7.025 9.537 1.00 0.00 H new ATOM 48 N SER A 61 -9.551 7.141 6.593 1.00 0.00 N ATOM 49 CA SER A 61 -8.917 6.799 5.325 1.00 0.00 C ATOM 50 C SER A 61 -8.367 5.376 5.359 1.00 0.00 C ATOM 51 O SER A 61 -7.181 5.163 5.606 1.00 0.00 O ATOM 52 CB SER A 61 -7.790 7.786 5.011 1.00 0.00 C ATOM 53 OG SER A 61 -8.310 9.038 4.598 1.00 0.00 O ATOM 0 H SER A 61 -8.949 7.030 7.409 1.00 0.00 H new ATOM 0 HA SER A 61 -9.672 6.860 4.542 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.164 7.921 5.893 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.152 7.377 4.228 1.00 0.00 H new ATOM 0 HG SER A 61 -7.571 9.652 4.405 1.00 0.00 H new ATOM 59 N GLY A 62 -9.240 4.405 5.109 1.00 0.00 N ATOM 60 CA GLY A 62 -8.825 3.014 5.116 1.00 0.00 C ATOM 61 C GLY A 62 -9.799 2.115 4.381 1.00 0.00 C ATOM 62 O GLY A 62 -10.518 1.332 4.999 1.00 0.00 O ATOM 0 H GLY A 62 -10.227 4.557 4.902 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.840 2.930 4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.727 2.673 6.146 1.00 0.00 H new ATOM 66 N GLU A 63 -9.822 2.229 3.056 1.00 0.00 N ATOM 67 CA GLU A 63 -10.717 1.420 2.236 1.00 0.00 C ATOM 68 C GLU A 63 -10.441 -0.067 2.435 1.00 0.00 C ATOM 69 O GLU A 63 -9.518 -0.449 3.154 1.00 0.00 O ATOM 70 CB GLU A 63 -10.561 1.786 0.759 1.00 0.00 C ATOM 71 CG GLU A 63 -9.119 1.777 0.278 1.00 0.00 C ATOM 72 CD GLU A 63 -8.459 3.138 0.387 1.00 0.00 C ATOM 73 OE1 GLU A 63 -8.926 3.959 1.204 1.00 0.00 O ATOM 74 OE2 GLU A 63 -7.478 3.382 -0.346 1.00 0.00 O ATOM 0 H GLU A 63 -9.232 2.873 2.529 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.741 1.627 2.548 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.140 1.086 0.157 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.985 2.776 0.592 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.550 1.054 0.862 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.088 1.444 -0.760 1.00 0.00 H new ATOM 81 N LYS A 64 -11.250 -0.904 1.793 1.00 0.00 N ATOM 82 CA LYS A 64 -11.096 -2.350 1.897 1.00 0.00 C ATOM 83 C LYS A 64 -9.862 -2.821 1.135 1.00 0.00 C ATOM 84 O LYS A 64 -9.550 -4.012 1.112 1.00 0.00 O ATOM 85 CB LYS A 64 -12.342 -3.056 1.359 1.00 0.00 C ATOM 86 CG LYS A 64 -13.642 -2.505 1.917 1.00 0.00 C ATOM 87 CD LYS A 64 -14.837 -3.325 1.461 1.00 0.00 C ATOM 88 CE LYS A 64 -14.992 -4.592 2.288 1.00 0.00 C ATOM 89 NZ LYS A 64 -16.129 -5.429 1.813 1.00 0.00 N ATOM 0 H LYS A 64 -12.020 -0.605 1.195 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.970 -2.603 2.950 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.357 -2.970 0.273 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.277 -4.118 1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.598 -2.499 3.006 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.766 -1.470 1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.743 -2.724 1.540 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.720 -3.588 0.410 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.070 -5.171 2.241 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.149 -4.326 3.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.201 -6.283 2.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -17.013 -4.885 1.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.968 -5.704 0.823 1.00 0.00 H new ATOM 103 N THR A 65 -9.161 -1.879 0.511 1.00 0.00 N ATOM 104 CA THR A 65 -7.961 -2.198 -0.252 1.00 0.00 C ATOM 105 C THR A 65 -7.202 -3.361 0.377 1.00 0.00 C ATOM 106 O THR A 65 -6.629 -4.194 -0.326 1.00 0.00 O ATOM 107 CB THR A 65 -7.021 -0.982 -0.355 1.00 0.00 C ATOM 108 OG1 THR A 65 -5.872 -1.316 -1.141 1.00 0.00 O ATOM 109 CG2 THR A 65 -6.580 -0.521 1.026 1.00 0.00 C ATOM 0 H THR A 65 -9.404 -0.888 0.519 1.00 0.00 H new ATOM 0 HA THR A 65 -8.289 -2.480 -1.252 1.00 0.00 H new ATOM 0 HB THR A 65 -7.566 -0.169 -0.836 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.280 -0.537 -1.203 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.917 0.339 0.928 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.455 -0.240 1.612 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.052 -1.331 1.529 1.00 0.00 H new ATOM 117 N VAL A 66 -7.203 -3.413 1.705 1.00 0.00 N ATOM 118 CA VAL A 66 -6.516 -4.476 2.429 1.00 0.00 C ATOM 119 C VAL A 66 -7.427 -5.682 2.629 1.00 0.00 C ATOM 120 O VAL A 66 -8.610 -5.536 2.937 1.00 0.00 O ATOM 121 CB VAL A 66 -6.019 -3.988 3.803 1.00 0.00 C ATOM 122 CG1 VAL A 66 -5.588 -5.166 4.663 1.00 0.00 C ATOM 123 CG2 VAL A 66 -4.879 -2.995 3.635 1.00 0.00 C ATOM 0 H VAL A 66 -7.672 -2.731 2.302 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.658 -4.769 1.824 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.841 -3.481 4.308 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.240 -4.803 5.630 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.434 -5.837 4.811 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.781 -5.704 4.165 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.540 -2.661 4.616 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.053 -3.475 3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.226 -2.137 3.059 1.00 0.00 H new ATOM 133 N VAL A 67 -6.868 -6.875 2.451 1.00 0.00 N ATOM 134 CA VAL A 67 -7.629 -8.108 2.614 1.00 0.00 C ATOM 135 C VAL A 67 -7.705 -8.517 4.080 1.00 0.00 C ATOM 136 O VAL A 67 -6.684 -8.630 4.759 1.00 0.00 O ATOM 137 CB VAL A 67 -7.009 -9.261 1.802 1.00 0.00 C ATOM 138 CG1 VAL A 67 -7.631 -10.590 2.202 1.00 0.00 C ATOM 139 CG2 VAL A 67 -7.176 -9.012 0.311 1.00 0.00 C ATOM 0 H VAL A 67 -5.891 -7.014 2.194 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.635 -7.911 2.242 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.942 -9.305 2.022 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.181 -11.393 1.618 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.455 -10.770 3.263 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.704 -10.561 2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.732 -9.836 -0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.237 -8.940 0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.679 -8.081 0.040 1.00 0.00 H new ATOM 149 N CYS A 68 -8.923 -8.739 4.564 1.00 0.00 N ATOM 150 CA CYS A 68 -9.134 -9.137 5.951 1.00 0.00 C ATOM 151 C CYS A 68 -8.155 -10.234 6.358 1.00 0.00 C ATOM 152 O CYS A 68 -7.977 -11.220 5.642 1.00 0.00 O ATOM 153 CB CYS A 68 -10.572 -9.621 6.151 1.00 0.00 C ATOM 154 SG CYS A 68 -11.095 -9.697 7.894 1.00 0.00 S ATOM 0 H CYS A 68 -9.779 -8.650 4.016 1.00 0.00 H new ATOM 0 HA CYS A 68 -8.959 -8.266 6.583 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -11.246 -8.958 5.609 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -10.676 -10.612 5.708 1.00 0.00 H new ATOM 159 N LYS A 69 -7.522 -10.056 7.512 1.00 0.00 N ATOM 160 CA LYS A 69 -6.562 -11.030 8.017 1.00 0.00 C ATOM 161 C LYS A 69 -7.268 -12.143 8.785 1.00 0.00 C ATOM 162 O LYS A 69 -6.669 -13.172 9.097 1.00 0.00 O ATOM 163 CB LYS A 69 -5.536 -10.343 8.922 1.00 0.00 C ATOM 164 CG LYS A 69 -6.160 -9.462 9.990 1.00 0.00 C ATOM 165 CD LYS A 69 -6.205 -8.006 9.555 1.00 0.00 C ATOM 166 CE LYS A 69 -4.880 -7.306 9.816 1.00 0.00 C ATOM 167 NZ LYS A 69 -4.904 -5.888 9.360 1.00 0.00 N ATOM 0 H LYS A 69 -7.657 -9.245 8.116 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.047 -11.472 7.164 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.922 -11.104 9.404 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.870 -9.738 8.307 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.170 -9.810 10.205 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.589 -9.549 10.914 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.445 -7.949 8.493 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.002 -7.490 10.090 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.654 -7.341 10.882 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.080 -7.839 9.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.983 -5.445 9.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.095 -5.855 8.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.651 -5.373 9.868 1.00 0.00 H new ATOM 181 N HIS A 70 -8.546 -11.930 9.086 1.00 0.00 N ATOM 182 CA HIS A 70 -9.334 -12.916 9.815 1.00 0.00 C ATOM 183 C HIS A 70 -9.965 -13.923 8.858 1.00 0.00 C ATOM 184 O HIS A 70 -9.847 -15.133 9.050 1.00 0.00 O ATOM 185 CB HIS A 70 -10.423 -12.224 10.636 1.00 0.00 C ATOM 186 CG HIS A 70 -9.906 -11.118 11.504 1.00 0.00 C ATOM 187 ND1 HIS A 70 -9.443 -9.921 11.000 1.00 0.00 N ATOM 188 CD2 HIS A 70 -9.783 -11.031 12.849 1.00 0.00 C ATOM 189 CE1 HIS A 70 -9.056 -9.146 11.998 1.00 0.00 C ATOM 190 NE2 HIS A 70 -9.252 -9.797 13.131 1.00 0.00 N ATOM 0 H HIS A 70 -9.057 -11.083 8.836 1.00 0.00 H new ATOM 0 HA HIS A 70 -8.666 -13.452 10.489 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -11.177 -11.822 9.959 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -10.920 -12.965 11.263 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -10.053 -11.791 13.567 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -8.649 -8.150 11.904 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -9.043 -9.441 14.064 1.00 0.00 H new ATOM 198 N TRP A 71 -10.634 -13.415 7.830 1.00 0.00 N ATOM 199 CA TRP A 71 -11.284 -14.271 6.844 1.00 0.00 C ATOM 200 C TRP A 71 -10.279 -15.217 6.197 1.00 0.00 C ATOM 201 O TRP A 71 -10.602 -16.366 5.890 1.00 0.00 O ATOM 202 CB TRP A 71 -11.965 -13.420 5.770 1.00 0.00 C ATOM 203 CG TRP A 71 -12.099 -14.121 4.453 1.00 0.00 C ATOM 204 CD1 TRP A 71 -13.103 -14.964 4.071 1.00 0.00 C ATOM 205 CD2 TRP A 71 -11.196 -14.042 3.344 1.00 0.00 C ATOM 206 NE1 TRP A 71 -12.879 -15.413 2.792 1.00 0.00 N ATOM 207 CE2 TRP A 71 -11.716 -14.862 2.324 1.00 0.00 C ATOM 208 CE3 TRP A 71 -10.000 -13.357 3.114 1.00 0.00 C ATOM 209 CZ2 TRP A 71 -11.080 -15.014 1.095 1.00 0.00 C ATOM 210 CZ3 TRP A 71 -9.370 -13.509 1.893 1.00 0.00 C ATOM 211 CH2 TRP A 71 -9.911 -14.331 0.896 1.00 0.00 C ATOM 0 H TRP A 71 -10.741 -12.415 7.657 1.00 0.00 H new ATOM 0 HA TRP A 71 -12.038 -14.868 7.358 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -12.955 -13.129 6.121 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -11.395 -12.502 5.628 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -13.949 -15.238 4.684 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.481 -16.053 2.275 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.576 -12.720 3.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.495 -15.649 0.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -8.445 -12.985 1.704 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -9.395 -14.428 -0.048 1.00 0.00 H new ATOM 222 N LEU A 72 -9.060 -14.730 5.994 1.00 0.00 N ATOM 223 CA LEU A 72 -8.007 -15.534 5.384 1.00 0.00 C ATOM 224 C LEU A 72 -7.938 -16.917 6.023 1.00 0.00 C ATOM 225 O LEU A 72 -7.939 -17.934 5.329 1.00 0.00 O ATOM 226 CB LEU A 72 -6.656 -14.829 5.520 1.00 0.00 C ATOM 227 CG LEU A 72 -6.389 -13.693 4.533 1.00 0.00 C ATOM 228 CD1 LEU A 72 -5.152 -12.909 4.942 1.00 0.00 C ATOM 229 CD2 LEU A 72 -6.233 -14.239 3.121 1.00 0.00 C ATOM 0 H LEU A 72 -8.776 -13.782 6.243 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.243 -15.654 4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.577 -14.431 6.531 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.868 -15.573 5.408 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.244 -13.017 4.548 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.978 -12.105 4.227 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.301 -12.486 5.935 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.288 -13.574 4.957 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.043 -13.416 2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.397 -14.937 3.091 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.147 -14.755 2.827 1.00 0.00 H new ATOM 241 N ARG A 73 -7.881 -16.948 7.351 1.00 0.00 N ATOM 242 CA ARG A 73 -7.813 -18.206 8.084 1.00 0.00 C ATOM 243 C ARG A 73 -9.206 -18.666 8.504 1.00 0.00 C ATOM 244 O ARG A 73 -9.351 -19.602 9.289 1.00 0.00 O ATOM 245 CB ARG A 73 -6.920 -18.055 9.317 1.00 0.00 C ATOM 246 CG ARG A 73 -5.493 -17.647 8.989 1.00 0.00 C ATOM 247 CD ARG A 73 -4.691 -17.365 10.250 1.00 0.00 C ATOM 248 NE ARG A 73 -5.205 -16.209 10.979 1.00 0.00 N ATOM 249 CZ ARG A 73 -4.885 -14.954 10.686 1.00 0.00 C ATOM 250 NH1 ARG A 73 -4.057 -14.694 9.684 1.00 0.00 N ATOM 251 NH2 ARG A 73 -5.394 -13.955 11.396 1.00 0.00 N ATOM 0 H ARG A 73 -7.881 -16.116 7.941 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.384 -18.960 7.424 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.358 -17.311 9.983 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -6.903 -19.000 9.861 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.009 -18.439 8.418 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.503 -16.759 8.357 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.714 -18.241 10.898 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.648 -17.192 9.985 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.845 -16.375 11.756 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.664 -15.459 9.136 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.813 -13.729 9.461 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.032 -14.151 12.168 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.148 -12.991 11.170 1.00 0.00 H new ATOM 265 N GLY A 74 -10.228 -18.000 7.976 1.00 0.00 N ATOM 266 CA GLY A 74 -11.596 -18.354 8.308 1.00 0.00 C ATOM 267 C GLY A 74 -11.951 -18.012 9.742 1.00 0.00 C ATOM 268 O GLY A 74 -12.467 -18.854 10.479 1.00 0.00 O ATOM 0 H GLY A 74 -10.133 -17.221 7.324 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.277 -17.833 7.634 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.741 -19.422 8.146 1.00 0.00 H new ATOM 272 N LEU A 75 -11.674 -16.776 10.139 1.00 0.00 N ATOM 273 CA LEU A 75 -11.966 -16.324 11.495 1.00 0.00 C ATOM 274 C LEU A 75 -12.852 -15.083 11.477 1.00 0.00 C ATOM 275 O LEU A 75 -12.818 -14.268 12.400 1.00 0.00 O ATOM 276 CB LEU A 75 -10.667 -16.026 12.246 1.00 0.00 C ATOM 277 CG LEU A 75 -9.922 -17.238 12.806 1.00 0.00 C ATOM 278 CD1 LEU A 75 -9.437 -18.135 11.677 1.00 0.00 C ATOM 279 CD2 LEU A 75 -8.754 -16.793 13.674 1.00 0.00 C ATOM 0 H LEU A 75 -11.247 -16.068 9.541 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.501 -17.122 12.009 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.996 -15.492 11.573 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.895 -15.351 13.071 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.613 -17.809 13.426 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.909 -18.992 12.095 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -10.291 -18.483 11.096 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.763 -17.574 11.030 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.236 -17.669 14.064 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.063 -16.198 13.077 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.126 -16.192 14.504 1.00 0.00 H new ATOM 291 N CYS A 76 -13.647 -14.946 10.421 1.00 0.00 N ATOM 292 CA CYS A 76 -14.545 -13.805 10.282 1.00 0.00 C ATOM 293 C CYS A 76 -15.976 -14.268 10.024 1.00 0.00 C ATOM 294 O CYS A 76 -16.202 -15.324 9.433 1.00 0.00 O ATOM 295 CB CYS A 76 -14.077 -12.897 9.143 1.00 0.00 C ATOM 296 SG CYS A 76 -14.514 -11.143 9.364 1.00 0.00 S ATOM 0 H CYS A 76 -13.688 -15.611 9.649 1.00 0.00 H new ATOM 0 HA CYS A 76 -14.527 -13.243 11.216 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -12.995 -12.981 9.047 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -14.509 -13.253 8.208 1.00 0.00 H new ATOM 301 N LYS A 77 -16.940 -13.469 10.471 1.00 0.00 N ATOM 302 CA LYS A 77 -18.349 -13.794 10.288 1.00 0.00 C ATOM 303 C LYS A 77 -19.118 -12.593 9.744 1.00 0.00 C ATOM 304 O LYS A 77 -20.338 -12.508 9.886 1.00 0.00 O ATOM 305 CB LYS A 77 -18.965 -14.250 11.612 1.00 0.00 C ATOM 306 CG LYS A 77 -18.450 -15.597 12.090 1.00 0.00 C ATOM 307 CD LYS A 77 -17.222 -15.443 12.972 1.00 0.00 C ATOM 308 CE LYS A 77 -17.599 -15.017 14.383 1.00 0.00 C ATOM 309 NZ LYS A 77 -17.989 -16.180 15.228 1.00 0.00 N ATOM 0 H LYS A 77 -16.770 -12.592 10.963 1.00 0.00 H new ATOM 0 HA LYS A 77 -18.418 -14.606 9.564 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.760 -13.500 12.376 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -20.048 -14.303 11.500 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.235 -16.112 12.644 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -18.206 -16.220 11.230 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -16.678 -16.387 13.009 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.549 -14.705 12.535 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -16.757 -14.500 14.843 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -18.425 -14.307 14.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -18.239 -15.848 16.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -18.808 -16.659 14.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -17.193 -16.846 15.291 1.00 0.00 H new ATOM 323 N LYS A 78 -18.397 -11.668 9.121 1.00 0.00 N ATOM 324 CA LYS A 78 -19.010 -10.473 8.554 1.00 0.00 C ATOM 325 C LYS A 78 -19.337 -10.678 7.078 1.00 0.00 C ATOM 326 O LYS A 78 -20.444 -10.380 6.630 1.00 0.00 O ATOM 327 CB LYS A 78 -18.080 -9.269 8.719 1.00 0.00 C ATOM 328 CG LYS A 78 -17.755 -8.946 10.167 1.00 0.00 C ATOM 329 CD LYS A 78 -17.146 -7.560 10.305 1.00 0.00 C ATOM 330 CE LYS A 78 -17.235 -7.053 11.737 1.00 0.00 C ATOM 331 NZ LYS A 78 -16.724 -5.660 11.864 1.00 0.00 N ATOM 0 H LYS A 78 -17.386 -11.723 8.996 1.00 0.00 H new ATOM 0 HA LYS A 78 -19.939 -10.282 9.091 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -17.152 -9.461 8.181 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -18.542 -8.397 8.256 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -18.663 -9.007 10.767 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -17.062 -9.690 10.560 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.102 -7.587 9.991 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -17.661 -6.867 9.640 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -18.271 -7.092 12.072 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -16.663 -7.711 12.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -16.801 -5.351 12.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.728 -5.627 11.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -17.286 -5.028 11.259 1.00 0.00 H new ATOM 345 N GLY A 79 -18.367 -11.189 6.327 1.00 0.00 N ATOM 346 CA GLY A 79 -18.572 -11.426 4.910 1.00 0.00 C ATOM 347 C GLY A 79 -18.583 -10.143 4.103 1.00 0.00 C ATOM 348 O GLY A 79 -17.529 -9.614 3.751 1.00 0.00 O ATOM 0 H GLY A 79 -17.442 -11.443 6.674 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -17.784 -12.080 4.536 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -19.516 -11.951 4.765 1.00 0.00 H new ATOM 352 N ASP A 80 -19.778 -9.642 3.808 1.00 0.00 N ATOM 353 CA ASP A 80 -19.923 -8.413 3.037 1.00 0.00 C ATOM 354 C ASP A 80 -20.053 -7.205 3.959 1.00 0.00 C ATOM 355 O ASP A 80 -20.176 -6.071 3.498 1.00 0.00 O ATOM 356 CB ASP A 80 -21.142 -8.503 2.118 1.00 0.00 C ATOM 357 CG ASP A 80 -20.849 -9.263 0.840 1.00 0.00 C ATOM 358 OD1 ASP A 80 -19.690 -9.220 0.376 1.00 0.00 O ATOM 359 OD2 ASP A 80 -21.778 -9.902 0.304 1.00 0.00 O ATOM 0 H ASP A 80 -20.660 -10.068 4.091 1.00 0.00 H new ATOM 0 HA ASP A 80 -19.028 -8.288 2.428 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -21.958 -8.992 2.649 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -21.481 -7.497 1.870 1.00 0.00 H new ATOM 364 N GLN A 81 -20.025 -7.457 5.264 1.00 0.00 N ATOM 365 CA GLN A 81 -20.142 -6.390 6.251 1.00 0.00 C ATOM 366 C GLN A 81 -18.767 -5.952 6.744 1.00 0.00 C ATOM 367 O GLN A 81 -18.594 -4.827 7.216 1.00 0.00 O ATOM 368 CB GLN A 81 -20.998 -6.850 7.432 1.00 0.00 C ATOM 369 CG GLN A 81 -22.478 -6.966 7.102 1.00 0.00 C ATOM 370 CD GLN A 81 -22.834 -8.304 6.484 1.00 0.00 C ATOM 371 OE1 GLN A 81 -23.131 -9.268 7.191 1.00 0.00 O ATOM 372 NE2 GLN A 81 -22.806 -8.371 5.158 1.00 0.00 N ATOM 0 H GLN A 81 -19.922 -8.390 5.662 1.00 0.00 H new ATOM 0 HA GLN A 81 -20.625 -5.538 5.772 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -20.635 -7.817 7.778 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -20.872 -6.148 8.257 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -23.062 -6.823 8.011 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -22.757 -6.167 6.415 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -22.554 -7.548 4.611 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -23.036 -9.246 4.687 1.00 0.00 H new ATOM 381 N CYS A 82 -17.791 -6.847 6.633 1.00 0.00 N ATOM 382 CA CYS A 82 -16.431 -6.554 7.069 1.00 0.00 C ATOM 383 C CYS A 82 -15.953 -5.221 6.500 1.00 0.00 C ATOM 384 O CYS A 82 -16.566 -4.669 5.587 1.00 0.00 O ATOM 385 CB CYS A 82 -15.483 -7.675 6.638 1.00 0.00 C ATOM 386 SG CYS A 82 -13.893 -7.687 7.527 1.00 0.00 S ATOM 0 H CYS A 82 -17.917 -7.782 6.245 1.00 0.00 H new ATOM 0 HA CYS A 82 -16.431 -6.485 8.157 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -15.979 -8.634 6.789 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -15.289 -7.581 5.569 1.00 0.00 H new ATOM 391 N GLU A 83 -14.853 -4.711 7.046 1.00 0.00 N ATOM 392 CA GLU A 83 -14.293 -3.443 6.593 1.00 0.00 C ATOM 393 C GLU A 83 -13.106 -3.674 5.663 1.00 0.00 C ATOM 394 O GLU A 83 -12.526 -2.727 5.131 1.00 0.00 O ATOM 395 CB GLU A 83 -13.860 -2.595 7.790 1.00 0.00 C ATOM 396 CG GLU A 83 -13.257 -3.406 8.925 1.00 0.00 C ATOM 397 CD GLU A 83 -12.261 -2.610 9.745 1.00 0.00 C ATOM 398 OE1 GLU A 83 -11.653 -1.671 9.191 1.00 0.00 O ATOM 399 OE2 GLU A 83 -12.089 -2.927 10.941 1.00 0.00 O ATOM 0 H GLU A 83 -14.333 -5.156 7.802 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.067 -2.910 6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.132 -1.856 7.456 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.723 -2.045 8.166 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.055 -3.763 9.576 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.763 -4.287 8.515 1.00 0.00 H new ATOM 406 N PHE A 84 -12.749 -4.940 5.472 1.00 0.00 N ATOM 407 CA PHE A 84 -11.630 -5.297 4.607 1.00 0.00 C ATOM 408 C PHE A 84 -12.087 -6.212 3.475 1.00 0.00 C ATOM 409 O PHE A 84 -13.173 -6.791 3.530 1.00 0.00 O ATOM 410 CB PHE A 84 -10.529 -5.982 5.420 1.00 0.00 C ATOM 411 CG PHE A 84 -9.936 -5.105 6.485 1.00 0.00 C ATOM 412 CD1 PHE A 84 -10.510 -5.036 7.744 1.00 0.00 C ATOM 413 CD2 PHE A 84 -8.804 -4.349 6.227 1.00 0.00 C ATOM 414 CE1 PHE A 84 -9.967 -4.230 8.726 1.00 0.00 C ATOM 415 CE2 PHE A 84 -8.256 -3.541 7.206 1.00 0.00 C ATOM 416 CZ PHE A 84 -8.839 -3.481 8.456 1.00 0.00 C ATOM 0 H PHE A 84 -13.218 -5.736 5.904 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.233 -4.380 4.170 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.937 -6.879 5.885 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -9.737 -6.305 4.744 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -11.393 -5.619 7.960 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.345 -4.391 5.250 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.424 -4.186 9.703 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.373 -2.957 6.993 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.413 -2.849 9.221 1.00 0.00 H new ATOM 426 N LEU A 85 -11.251 -6.338 2.450 1.00 0.00 N ATOM 427 CA LEU A 85 -11.569 -7.182 1.304 1.00 0.00 C ATOM 428 C LEU A 85 -11.480 -8.659 1.674 1.00 0.00 C ATOM 429 O LEU A 85 -10.603 -9.068 2.436 1.00 0.00 O ATOM 430 CB LEU A 85 -10.619 -6.878 0.144 1.00 0.00 C ATOM 431 CG LEU A 85 -10.927 -5.616 -0.663 1.00 0.00 C ATOM 432 CD1 LEU A 85 -9.675 -5.109 -1.360 1.00 0.00 C ATOM 433 CD2 LEU A 85 -12.031 -5.887 -1.675 1.00 0.00 C ATOM 0 H LEU A 85 -10.348 -5.867 2.389 1.00 0.00 H new ATOM 0 HA LEU A 85 -12.592 -6.964 0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.608 -6.793 0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.624 -7.730 -0.536 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.273 -4.844 0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.914 -4.211 -1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.914 -4.875 -0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.298 -5.877 -2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -12.237 -4.978 -2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.713 -6.675 -2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -12.934 -6.202 -1.152 1.00 0.00 H new ATOM 445 N HIS A 86 -12.394 -9.456 1.130 1.00 0.00 N ATOM 446 CA HIS A 86 -12.418 -10.889 1.401 1.00 0.00 C ATOM 447 C HIS A 86 -11.994 -11.683 0.168 1.00 0.00 C ATOM 448 O HIS A 86 -12.289 -12.872 0.053 1.00 0.00 O ATOM 449 CB HIS A 86 -13.815 -11.323 1.845 1.00 0.00 C ATOM 450 CG HIS A 86 -14.060 -11.146 3.312 1.00 0.00 C ATOM 451 ND1 HIS A 86 -15.057 -11.810 3.994 1.00 0.00 N ATOM 452 CD2 HIS A 86 -13.427 -10.376 4.228 1.00 0.00 C ATOM 453 CE1 HIS A 86 -15.029 -11.454 5.266 1.00 0.00 C ATOM 454 NE2 HIS A 86 -14.049 -10.586 5.434 1.00 0.00 N ATOM 0 H HIS A 86 -13.128 -9.134 0.499 1.00 0.00 H new ATOM 0 HA HIS A 86 -11.710 -11.093 2.204 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -14.558 -10.751 1.289 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -13.960 -12.371 1.585 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -15.714 -12.472 3.581 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.589 -9.719 4.045 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -15.695 -11.812 6.037 1.00 0.00 H new ATOM 462 N GLU A 87 -11.302 -11.015 -0.750 1.00 0.00 N ATOM 463 CA GLU A 87 -10.839 -11.659 -1.974 1.00 0.00 C ATOM 464 C GLU A 87 -9.317 -11.613 -2.071 1.00 0.00 C ATOM 465 O GLU A 87 -8.698 -10.581 -1.812 1.00 0.00 O ATOM 466 CB GLU A 87 -11.460 -10.982 -3.198 1.00 0.00 C ATOM 467 CG GLU A 87 -10.921 -9.586 -3.460 1.00 0.00 C ATOM 468 CD GLU A 87 -9.746 -9.585 -4.419 1.00 0.00 C ATOM 469 OE1 GLU A 87 -9.013 -10.595 -4.459 1.00 0.00 O ATOM 470 OE2 GLU A 87 -9.559 -8.574 -5.128 1.00 0.00 O ATOM 0 H GLU A 87 -11.050 -10.030 -0.670 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.152 -12.703 -1.946 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.280 -11.602 -4.076 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.540 -10.926 -3.063 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.718 -8.963 -3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.615 -9.136 -2.516 1.00 0.00 H new ATOM 477 N TYR A 88 -8.720 -12.739 -2.445 1.00 0.00 N ATOM 478 CA TYR A 88 -7.271 -12.830 -2.574 1.00 0.00 C ATOM 479 C TYR A 88 -6.786 -12.082 -3.812 1.00 0.00 C ATOM 480 O TYR A 88 -6.957 -12.548 -4.939 1.00 0.00 O ATOM 481 CB TYR A 88 -6.834 -14.294 -2.645 1.00 0.00 C ATOM 482 CG TYR A 88 -5.479 -14.553 -2.026 1.00 0.00 C ATOM 483 CD1 TYR A 88 -4.315 -14.409 -2.770 1.00 0.00 C ATOM 484 CD2 TYR A 88 -5.363 -14.943 -0.698 1.00 0.00 C ATOM 485 CE1 TYR A 88 -3.075 -14.645 -2.209 1.00 0.00 C ATOM 486 CE2 TYR A 88 -4.127 -15.180 -0.128 1.00 0.00 C ATOM 487 CZ TYR A 88 -2.986 -15.030 -0.888 1.00 0.00 C ATOM 488 OH TYR A 88 -1.753 -15.266 -0.324 1.00 0.00 O ATOM 0 H TYR A 88 -9.218 -13.602 -2.664 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.824 -12.367 -1.694 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.578 -14.911 -2.141 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -6.813 -14.608 -3.689 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.381 -14.107 -3.805 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.255 -15.063 -0.100 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.180 -14.529 -2.802 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.055 -15.481 0.907 1.00 0.00 H new ATOM 0 HH TYR A 88 -1.656 -16.223 -0.139 1.00 0.00 H new ATOM 498 N ASP A 89 -6.180 -10.921 -3.594 1.00 0.00 N ATOM 499 CA ASP A 89 -5.668 -10.108 -4.691 1.00 0.00 C ATOM 500 C ASP A 89 -4.195 -9.772 -4.477 1.00 0.00 C ATOM 501 O ASP A 89 -3.822 -9.193 -3.458 1.00 0.00 O ATOM 502 CB ASP A 89 -6.482 -8.820 -4.823 1.00 0.00 C ATOM 503 CG ASP A 89 -6.580 -8.341 -6.258 1.00 0.00 C ATOM 504 OD1 ASP A 89 -5.523 -8.190 -6.907 1.00 0.00 O ATOM 505 OD2 ASP A 89 -7.713 -8.119 -6.733 1.00 0.00 O ATOM 0 H ASP A 89 -6.031 -10.521 -2.668 1.00 0.00 H new ATOM 0 HA ASP A 89 -5.762 -10.684 -5.611 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.485 -8.986 -4.429 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.025 -8.041 -4.213 1.00 0.00 H new ATOM 510 N MET A 90 -3.363 -10.142 -5.445 1.00 0.00 N ATOM 511 CA MET A 90 -1.930 -9.881 -5.363 1.00 0.00 C ATOM 512 C MET A 90 -1.654 -8.382 -5.308 1.00 0.00 C ATOM 513 O MET A 90 -0.538 -7.956 -5.009 1.00 0.00 O ATOM 514 CB MET A 90 -1.207 -10.502 -6.559 1.00 0.00 C ATOM 515 CG MET A 90 -0.753 -11.932 -6.319 1.00 0.00 C ATOM 516 SD MET A 90 0.905 -12.027 -5.617 1.00 0.00 S ATOM 517 CE MET A 90 0.562 -11.681 -3.893 1.00 0.00 C ATOM 0 H MET A 90 -3.656 -10.623 -6.295 1.00 0.00 H new ATOM 0 HA MET A 90 -1.555 -10.336 -4.446 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.869 -10.480 -7.425 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.339 -9.891 -6.806 1.00 0.00 H new ATOM 0 HG2 MET A 90 -1.456 -12.424 -5.647 1.00 0.00 H new ATOM 0 HG3 MET A 90 -0.776 -12.479 -7.261 1.00 0.00 H new ATOM 0 HE1 MET A 90 1.449 -11.894 -3.296 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.291 -10.631 -3.779 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.263 -12.307 -3.553 1.00 0.00 H new ATOM 527 N THR A 91 -2.677 -7.584 -5.600 1.00 0.00 N ATOM 528 CA THR A 91 -2.544 -6.133 -5.586 1.00 0.00 C ATOM 529 C THR A 91 -3.191 -5.534 -4.342 1.00 0.00 C ATOM 530 O THR A 91 -2.573 -4.743 -3.628 1.00 0.00 O ATOM 531 CB THR A 91 -3.179 -5.498 -6.837 1.00 0.00 C ATOM 532 OG1 THR A 91 -4.587 -5.756 -6.856 1.00 0.00 O ATOM 533 CG2 THR A 91 -2.541 -6.046 -8.105 1.00 0.00 C ATOM 0 H THR A 91 -3.608 -7.919 -5.849 1.00 0.00 H new ATOM 0 HA THR A 91 -1.476 -5.914 -5.579 1.00 0.00 H new ATOM 0 HB THR A 91 -3.008 -4.422 -6.798 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.752 -6.645 -7.235 1.00 0.00 H new ATOM 0 HG21 THR A 91 -3.006 -5.583 -8.976 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.474 -5.823 -8.101 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.686 -7.126 -8.148 1.00 0.00 H new ATOM 541 N LYS A 92 -4.437 -5.915 -4.087 1.00 0.00 N ATOM 542 CA LYS A 92 -5.168 -5.417 -2.928 1.00 0.00 C ATOM 543 C LYS A 92 -4.542 -5.922 -1.631 1.00 0.00 C ATOM 544 O LYS A 92 -4.384 -5.167 -0.673 1.00 0.00 O ATOM 545 CB LYS A 92 -6.635 -5.849 -2.999 1.00 0.00 C ATOM 546 CG LYS A 92 -7.266 -5.633 -4.364 1.00 0.00 C ATOM 547 CD LYS A 92 -7.947 -4.278 -4.455 1.00 0.00 C ATOM 548 CE LYS A 92 -6.968 -3.188 -4.861 1.00 0.00 C ATOM 549 NZ LYS A 92 -6.901 -3.026 -6.340 1.00 0.00 N ATOM 0 H LYS A 92 -4.963 -6.568 -4.668 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.115 -4.328 -2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.708 -6.905 -2.737 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -7.205 -5.296 -2.253 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.500 -5.709 -5.136 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.994 -6.421 -4.558 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.760 -4.326 -5.179 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.392 -4.028 -3.492 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -7.266 -2.244 -4.405 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.977 -3.428 -4.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.223 -2.274 -6.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -6.592 -3.919 -6.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.841 -2.772 -6.704 1.00 0.00 H new ATOM 563 N MET A 93 -4.185 -7.202 -1.611 1.00 0.00 N ATOM 564 CA MET A 93 -3.573 -7.805 -0.433 1.00 0.00 C ATOM 565 C MET A 93 -2.271 -7.096 -0.073 1.00 0.00 C ATOM 566 O MET A 93 -1.556 -6.585 -0.935 1.00 0.00 O ATOM 567 CB MET A 93 -3.307 -9.292 -0.675 1.00 0.00 C ATOM 568 CG MET A 93 -1.954 -9.572 -1.309 1.00 0.00 C ATOM 569 SD MET A 93 -1.640 -11.335 -1.524 1.00 0.00 S ATOM 570 CE MET A 93 -1.628 -11.887 0.179 1.00 0.00 C ATOM 0 H MET A 93 -4.309 -7.841 -2.396 1.00 0.00 H new ATOM 0 HA MET A 93 -4.267 -7.698 0.401 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.371 -9.823 0.275 1.00 0.00 H new ATOM 0 HB3 MET A 93 -4.090 -9.693 -1.318 1.00 0.00 H new ATOM 0 HG2 MET A 93 -1.902 -9.077 -2.279 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.169 -9.140 -0.688 1.00 0.00 H new ATOM 0 HE1 MET A 93 -0.803 -12.584 0.330 1.00 0.00 H new ATOM 0 HE2 MET A 93 -1.503 -11.028 0.839 1.00 0.00 H new ATOM 0 HE3 MET A 93 -2.570 -12.385 0.407 1.00 0.00 H new ATOM 580 N PRO A 94 -1.955 -7.063 1.230 1.00 0.00 N ATOM 581 CA PRO A 94 -0.738 -6.419 1.733 1.00 0.00 C ATOM 582 C PRO A 94 0.524 -7.182 1.346 1.00 0.00 C ATOM 583 O PRO A 94 0.451 -8.270 0.776 1.00 0.00 O ATOM 584 CB PRO A 94 -0.928 -6.437 3.252 1.00 0.00 C ATOM 585 CG PRO A 94 -1.847 -7.582 3.505 1.00 0.00 C ATOM 586 CD PRO A 94 -2.761 -7.651 2.313 1.00 0.00 C ATOM 0 HA PRO A 94 -0.605 -5.420 1.318 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.023 -6.571 3.768 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.355 -5.500 3.609 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -1.289 -8.511 3.623 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.414 -7.431 4.423 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -3.050 -8.677 2.087 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.681 -7.090 2.479 1.00 0.00 H new ATOM 594 N GLU A 95 1.680 -6.604 1.659 1.00 0.00 N ATOM 595 CA GLU A 95 2.958 -7.232 1.343 1.00 0.00 C ATOM 596 C GLU A 95 3.368 -8.213 2.438 1.00 0.00 C ATOM 597 O GLU A 95 2.760 -8.256 3.508 1.00 0.00 O ATOM 598 CB GLU A 95 4.043 -6.168 1.163 1.00 0.00 C ATOM 599 CG GLU A 95 3.689 -5.105 0.138 1.00 0.00 C ATOM 600 CD GLU A 95 2.797 -4.019 0.707 1.00 0.00 C ATOM 601 OE1 GLU A 95 2.740 -3.887 1.948 1.00 0.00 O ATOM 602 OE2 GLU A 95 2.155 -3.301 -0.088 1.00 0.00 O ATOM 0 H GLU A 95 1.758 -5.703 2.131 1.00 0.00 H new ATOM 0 HA GLU A 95 2.842 -7.784 0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.231 -5.687 2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.971 -6.655 0.863 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.605 -4.654 -0.244 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.188 -5.575 -0.709 1.00 0.00 H new ATOM 609 N CYS A 96 4.402 -9.000 2.161 1.00 0.00 N ATOM 610 CA CYS A 96 4.894 -9.982 3.120 1.00 0.00 C ATOM 611 C CYS A 96 5.307 -9.308 4.425 1.00 0.00 C ATOM 612 O CYS A 96 6.136 -8.397 4.431 1.00 0.00 O ATOM 613 CB CYS A 96 6.080 -10.750 2.532 1.00 0.00 C ATOM 614 SG CYS A 96 6.374 -12.371 3.309 1.00 0.00 S ATOM 0 H CYS A 96 4.916 -8.977 1.280 1.00 0.00 H new ATOM 0 HA CYS A 96 4.086 -10.682 3.333 1.00 0.00 H new ATOM 0 HB2 CYS A 96 5.912 -10.896 1.465 1.00 0.00 H new ATOM 0 HB3 CYS A 96 6.979 -10.142 2.633 1.00 0.00 H new ATOM 619 N TYR A 97 4.725 -9.762 5.529 1.00 0.00 N ATOM 620 CA TYR A 97 5.030 -9.202 6.840 1.00 0.00 C ATOM 621 C TYR A 97 6.521 -9.309 7.145 1.00 0.00 C ATOM 622 O TYR A 97 7.093 -8.451 7.817 1.00 0.00 O ATOM 623 CB TYR A 97 4.224 -9.919 7.925 1.00 0.00 C ATOM 624 CG TYR A 97 4.914 -9.953 9.270 1.00 0.00 C ATOM 625 CD1 TYR A 97 5.393 -8.787 9.856 1.00 0.00 C ATOM 626 CD2 TYR A 97 5.088 -11.149 9.954 1.00 0.00 C ATOM 627 CE1 TYR A 97 6.025 -8.813 11.084 1.00 0.00 C ATOM 628 CE2 TYR A 97 5.717 -11.184 11.183 1.00 0.00 C ATOM 629 CZ TYR A 97 6.184 -10.014 11.744 1.00 0.00 C ATOM 630 OH TYR A 97 6.812 -10.044 12.968 1.00 0.00 O ATOM 0 H TYR A 97 4.039 -10.517 5.542 1.00 0.00 H new ATOM 0 HA TYR A 97 4.754 -8.148 6.829 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.258 -9.426 8.034 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.025 -10.941 7.602 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.269 -7.845 9.343 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.725 -12.068 9.517 1.00 0.00 H new ATOM 0 HE1 TYR A 97 6.393 -7.898 11.525 1.00 0.00 H new ATOM 0 HE2 TYR A 97 5.842 -12.123 11.702 1.00 0.00 H new ATOM 0 HH TYR A 97 6.842 -10.966 13.298 1.00 0.00 H new ATOM 640 N PHE A 98 7.146 -10.370 6.644 1.00 0.00 N ATOM 641 CA PHE A 98 8.571 -10.592 6.861 1.00 0.00 C ATOM 642 C PHE A 98 9.405 -9.603 6.052 1.00 0.00 C ATOM 643 O PHE A 98 10.025 -8.696 6.608 1.00 0.00 O ATOM 644 CB PHE A 98 8.949 -12.025 6.483 1.00 0.00 C ATOM 645 CG PHE A 98 8.299 -13.066 7.350 1.00 0.00 C ATOM 646 CD1 PHE A 98 8.469 -13.045 8.725 1.00 0.00 C ATOM 647 CD2 PHE A 98 7.520 -14.065 6.789 1.00 0.00 C ATOM 648 CE1 PHE A 98 7.873 -14.001 9.525 1.00 0.00 C ATOM 649 CE2 PHE A 98 6.920 -15.022 7.585 1.00 0.00 C ATOM 650 CZ PHE A 98 7.098 -14.991 8.955 1.00 0.00 C ATOM 0 H PHE A 98 6.688 -11.090 6.085 1.00 0.00 H new ATOM 0 HA PHE A 98 8.781 -10.436 7.919 1.00 0.00 H new ATOM 0 HB2 PHE A 98 8.671 -12.204 5.444 1.00 0.00 H new ATOM 0 HB3 PHE A 98 10.032 -12.135 6.546 1.00 0.00 H new ATOM 0 HD1 PHE A 98 9.074 -12.273 9.176 1.00 0.00 H new ATOM 0 HD2 PHE A 98 7.380 -14.096 5.719 1.00 0.00 H new ATOM 0 HE1 PHE A 98 8.013 -13.974 10.595 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.312 -15.794 7.137 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.632 -15.740 9.578 1.00 0.00 H new ATOM 660 N TYR A 99 9.415 -9.785 4.736 1.00 0.00 N ATOM 661 CA TYR A 99 10.174 -8.911 3.850 1.00 0.00 C ATOM 662 C TYR A 99 9.814 -7.448 4.087 1.00 0.00 C ATOM 663 O TYR A 99 10.546 -6.544 3.683 1.00 0.00 O ATOM 664 CB TYR A 99 9.914 -9.282 2.388 1.00 0.00 C ATOM 665 CG TYR A 99 11.089 -9.011 1.477 1.00 0.00 C ATOM 666 CD1 TYR A 99 11.237 -7.781 0.847 1.00 0.00 C ATOM 667 CD2 TYR A 99 12.053 -9.985 1.245 1.00 0.00 C ATOM 668 CE1 TYR A 99 12.308 -7.530 0.013 1.00 0.00 C ATOM 669 CE2 TYR A 99 13.129 -9.742 0.413 1.00 0.00 C ATOM 670 CZ TYR A 99 13.252 -8.513 -0.201 1.00 0.00 C ATOM 671 OH TYR A 99 14.321 -8.266 -1.031 1.00 0.00 O ATOM 0 H TYR A 99 8.906 -10.530 4.260 1.00 0.00 H new ATOM 0 HA TYR A 99 11.233 -9.045 4.069 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.657 -10.340 2.330 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.050 -8.724 2.028 1.00 0.00 H new ATOM 0 HD1 TYR A 99 10.501 -7.008 1.013 1.00 0.00 H new ATOM 0 HD2 TYR A 99 11.959 -10.949 1.723 1.00 0.00 H new ATOM 0 HE1 TYR A 99 12.406 -6.569 -0.470 1.00 0.00 H new ATOM 0 HE2 TYR A 99 13.869 -10.510 0.244 1.00 0.00 H new ATOM 0 HH TYR A 99 14.893 -9.061 -1.073 1.00 0.00 H new ATOM 681 N SER A 100 8.681 -7.223 4.745 1.00 0.00 N ATOM 682 CA SER A 100 8.221 -5.870 5.034 1.00 0.00 C ATOM 683 C SER A 100 8.737 -5.399 6.390 1.00 0.00 C ATOM 684 O SER A 100 8.954 -4.206 6.605 1.00 0.00 O ATOM 685 CB SER A 100 6.692 -5.813 5.009 1.00 0.00 C ATOM 686 OG SER A 100 6.137 -6.547 6.087 1.00 0.00 O ATOM 0 H SER A 100 8.065 -7.960 5.088 1.00 0.00 H new ATOM 0 HA SER A 100 8.615 -5.206 4.265 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.363 -4.775 5.064 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.325 -6.215 4.064 1.00 0.00 H new ATOM 0 HG SER A 100 5.217 -6.249 6.247 1.00 0.00 H new ATOM 692 N LYS A 101 8.932 -6.344 7.303 1.00 0.00 N ATOM 693 CA LYS A 101 9.424 -6.029 8.639 1.00 0.00 C ATOM 694 C LYS A 101 10.910 -6.351 8.761 1.00 0.00 C ATOM 695 O LYS A 101 11.733 -5.460 8.972 1.00 0.00 O ATOM 696 CB LYS A 101 8.634 -6.808 9.693 1.00 0.00 C ATOM 697 CG LYS A 101 8.714 -6.203 11.083 1.00 0.00 C ATOM 698 CD LYS A 101 10.003 -6.593 11.788 1.00 0.00 C ATOM 699 CE LYS A 101 9.819 -6.649 13.296 1.00 0.00 C ATOM 700 NZ LYS A 101 9.525 -5.306 13.869 1.00 0.00 N ATOM 0 H LYS A 101 8.757 -7.336 7.142 1.00 0.00 H new ATOM 0 HA LYS A 101 9.286 -4.961 8.807 1.00 0.00 H new ATOM 0 HB2 LYS A 101 7.589 -6.859 9.388 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.005 -7.832 9.730 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.651 -5.117 11.012 1.00 0.00 H new ATOM 0 HG3 LYS A 101 7.860 -6.534 11.674 1.00 0.00 H new ATOM 0 HD2 LYS A 101 10.338 -7.565 11.425 1.00 0.00 H new ATOM 0 HD3 LYS A 101 10.785 -5.874 11.542 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.005 -7.333 13.537 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.721 -7.051 13.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 9.440 -5.381 14.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 10.297 -4.651 13.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 8.633 -4.947 13.473 1.00 0.00 H new ATOM 714 N PHE A 102 11.247 -7.630 8.627 1.00 0.00 N ATOM 715 CA PHE A 102 12.634 -8.069 8.722 1.00 0.00 C ATOM 716 C PHE A 102 13.385 -7.784 7.425 1.00 0.00 C ATOM 717 O PHE A 102 14.593 -7.552 7.432 1.00 0.00 O ATOM 718 CB PHE A 102 12.697 -9.564 9.043 1.00 0.00 C ATOM 719 CG PHE A 102 12.010 -9.930 10.327 1.00 0.00 C ATOM 720 CD1 PHE A 102 10.654 -10.215 10.347 1.00 0.00 C ATOM 721 CD2 PHE A 102 12.721 -9.991 11.515 1.00 0.00 C ATOM 722 CE1 PHE A 102 10.020 -10.552 11.528 1.00 0.00 C ATOM 723 CE2 PHE A 102 12.092 -10.328 12.699 1.00 0.00 C ATOM 724 CZ PHE A 102 10.740 -10.609 12.705 1.00 0.00 C ATOM 0 H PHE A 102 10.578 -8.380 8.452 1.00 0.00 H new ATOM 0 HA PHE A 102 13.111 -7.511 9.528 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.243 -10.123 8.225 1.00 0.00 H new ATOM 0 HB3 PHE A 102 13.741 -9.872 9.098 1.00 0.00 H new ATOM 0 HD1 PHE A 102 10.086 -10.173 9.429 1.00 0.00 H new ATOM 0 HD2 PHE A 102 13.779 -9.773 11.516 1.00 0.00 H new ATOM 0 HE1 PHE A 102 8.962 -10.771 11.530 1.00 0.00 H new ATOM 0 HE2 PHE A 102 12.657 -10.371 13.618 1.00 0.00 H new ATOM 0 HZ PHE A 102 10.247 -10.873 13.629 1.00 0.00 H new ATOM 734 N GLY A 103 12.659 -7.804 6.311 1.00 0.00 N ATOM 735 CA GLY A 103 13.273 -7.547 5.021 1.00 0.00 C ATOM 736 C GLY A 103 14.089 -8.724 4.522 1.00 0.00 C ATOM 737 O GLY A 103 15.075 -8.544 3.809 1.00 0.00 O ATOM 0 H GLY A 103 11.657 -7.993 6.279 1.00 0.00 H new ATOM 0 HA2 GLY A 103 12.497 -7.312 4.293 1.00 0.00 H new ATOM 0 HA3 GLY A 103 13.915 -6.669 5.096 1.00 0.00 H new ATOM 741 N GLU A 104 13.677 -9.930 4.900 1.00 0.00 N ATOM 742 CA GLU A 104 14.380 -11.140 4.488 1.00 0.00 C ATOM 743 C GLU A 104 13.414 -12.315 4.368 1.00 0.00 C ATOM 744 O GLU A 104 12.858 -12.781 5.362 1.00 0.00 O ATOM 745 CB GLU A 104 15.489 -11.477 5.487 1.00 0.00 C ATOM 746 CG GLU A 104 16.292 -10.268 5.936 1.00 0.00 C ATOM 747 CD GLU A 104 17.581 -10.651 6.636 1.00 0.00 C ATOM 748 OE1 GLU A 104 17.517 -11.426 7.614 1.00 0.00 O ATOM 749 OE2 GLU A 104 18.654 -10.176 6.207 1.00 0.00 O ATOM 0 H GLU A 104 12.861 -10.095 5.490 1.00 0.00 H new ATOM 0 HA GLU A 104 14.825 -10.956 3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 104 15.046 -11.954 6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.164 -12.204 5.036 1.00 0.00 H new ATOM 0 HG2 GLU A 104 16.524 -9.648 5.070 1.00 0.00 H new ATOM 0 HG3 GLU A 104 15.684 -9.662 6.608 1.00 0.00 H new ATOM 756 N CYS A 105 13.219 -12.790 3.142 1.00 0.00 N ATOM 757 CA CYS A 105 12.321 -13.910 2.889 1.00 0.00 C ATOM 758 C CYS A 105 12.915 -14.859 1.852 1.00 0.00 C ATOM 759 O CYS A 105 13.091 -14.495 0.690 1.00 0.00 O ATOM 760 CB CYS A 105 10.960 -13.401 2.410 1.00 0.00 C ATOM 761 SG CYS A 105 9.595 -14.581 2.659 1.00 0.00 S ATOM 0 H CYS A 105 13.671 -12.416 2.308 1.00 0.00 H new ATOM 0 HA CYS A 105 12.189 -14.456 3.823 1.00 0.00 H new ATOM 0 HB2 CYS A 105 10.725 -12.475 2.934 1.00 0.00 H new ATOM 0 HB3 CYS A 105 11.028 -13.159 1.349 1.00 0.00 H new ATOM 766 N SER A 106 13.220 -16.080 2.282 1.00 0.00 N ATOM 767 CA SER A 106 13.797 -17.081 1.393 1.00 0.00 C ATOM 768 C SER A 106 12.703 -17.916 0.733 1.00 0.00 C ATOM 769 O SER A 106 12.835 -19.131 0.592 1.00 0.00 O ATOM 770 CB SER A 106 14.752 -17.992 2.167 1.00 0.00 C ATOM 771 OG SER A 106 15.483 -18.829 1.289 1.00 0.00 O ATOM 0 H SER A 106 13.077 -16.399 3.240 1.00 0.00 H new ATOM 0 HA SER A 106 14.354 -16.561 0.614 1.00 0.00 H new ATOM 0 HB2 SER A 106 15.442 -17.386 2.755 1.00 0.00 H new ATOM 0 HB3 SER A 106 14.186 -18.603 2.870 1.00 0.00 H new ATOM 0 HG SER A 106 14.861 -19.333 0.724 1.00 0.00 H new ATOM 777 N ASN A 107 11.624 -17.253 0.330 1.00 0.00 N ATOM 778 CA ASN A 107 10.507 -17.932 -0.315 1.00 0.00 C ATOM 779 C ASN A 107 10.315 -17.429 -1.743 1.00 0.00 C ATOM 780 O ASN A 107 9.708 -16.381 -1.967 1.00 0.00 O ATOM 781 CB ASN A 107 9.222 -17.722 0.489 1.00 0.00 C ATOM 782 CG ASN A 107 9.059 -18.745 1.596 1.00 0.00 C ATOM 783 OD1 ASN A 107 9.366 -18.475 2.757 1.00 0.00 O ATOM 784 ND2 ASN A 107 8.572 -19.929 1.240 1.00 0.00 N ATOM 0 H ASN A 107 11.500 -16.246 0.439 1.00 0.00 H new ATOM 0 HA ASN A 107 10.735 -18.997 -0.352 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.226 -16.721 0.921 1.00 0.00 H new ATOM 0 HB3 ASN A 107 8.364 -17.776 -0.181 1.00 0.00 H new ATOM 0 HD21 ASN A 107 8.439 -20.658 1.941 1.00 0.00 H new ATOM 0 HD22 ASN A 107 8.331 -20.109 0.265 1.00 0.00 H new ATOM 791 N LYS A 108 10.835 -18.183 -2.705 1.00 0.00 N ATOM 792 CA LYS A 108 10.721 -17.816 -4.111 1.00 0.00 C ATOM 793 C LYS A 108 9.262 -17.825 -4.559 1.00 0.00 C ATOM 794 O LYS A 108 8.843 -16.984 -5.354 1.00 0.00 O ATOM 795 CB LYS A 108 11.537 -18.777 -4.979 1.00 0.00 C ATOM 796 CG LYS A 108 11.145 -20.234 -4.807 1.00 0.00 C ATOM 797 CD LYS A 108 12.304 -21.164 -5.120 1.00 0.00 C ATOM 798 CE LYS A 108 12.333 -21.544 -6.592 1.00 0.00 C ATOM 799 NZ LYS A 108 13.158 -22.760 -6.835 1.00 0.00 N ATOM 0 H LYS A 108 11.340 -19.053 -2.536 1.00 0.00 H new ATOM 0 HA LYS A 108 11.114 -16.806 -4.230 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.417 -18.498 -6.026 1.00 0.00 H new ATOM 0 HB3 LYS A 108 12.594 -18.663 -4.738 1.00 0.00 H new ATOM 0 HG2 LYS A 108 10.808 -20.403 -3.784 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.305 -20.465 -5.462 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.243 -20.681 -4.850 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.223 -22.065 -4.512 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.316 -21.720 -6.942 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.731 -20.713 -7.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 13.152 -22.986 -7.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 14.135 -22.584 -6.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 12.763 -23.560 -6.300 1.00 0.00 H new ATOM 813 N GLU A 109 8.495 -18.779 -4.042 1.00 0.00 N ATOM 814 CA GLU A 109 7.084 -18.895 -4.389 1.00 0.00 C ATOM 815 C GLU A 109 6.202 -18.330 -3.278 1.00 0.00 C ATOM 816 O GLU A 109 5.180 -18.917 -2.922 1.00 0.00 O ATOM 817 CB GLU A 109 6.718 -20.358 -4.650 1.00 0.00 C ATOM 818 CG GLU A 109 7.312 -20.914 -5.934 1.00 0.00 C ATOM 819 CD GLU A 109 7.289 -22.429 -5.979 1.00 0.00 C ATOM 820 OE1 GLU A 109 7.757 -23.059 -5.008 1.00 0.00 O ATOM 821 OE2 GLU A 109 6.803 -22.985 -6.986 1.00 0.00 O ATOM 0 H GLU A 109 8.827 -19.482 -3.382 1.00 0.00 H new ATOM 0 HA GLU A 109 6.911 -18.317 -5.297 1.00 0.00 H new ATOM 0 HB2 GLU A 109 7.058 -20.964 -3.810 1.00 0.00 H new ATOM 0 HB3 GLU A 109 5.633 -20.450 -4.692 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.758 -20.520 -6.786 1.00 0.00 H new ATOM 0 HG3 GLU A 109 8.340 -20.567 -6.034 1.00 0.00 H new ATOM 828 N CYS A 110 6.606 -17.187 -2.735 1.00 0.00 N ATOM 829 CA CYS A 110 5.855 -16.541 -1.665 1.00 0.00 C ATOM 830 C CYS A 110 4.592 -15.880 -2.209 1.00 0.00 C ATOM 831 O CYS A 110 4.637 -15.052 -3.119 1.00 0.00 O ATOM 832 CB CYS A 110 6.726 -15.500 -0.959 1.00 0.00 C ATOM 833 SG CYS A 110 6.135 -15.039 0.702 1.00 0.00 S ATOM 0 H CYS A 110 7.450 -16.689 -3.018 1.00 0.00 H new ATOM 0 HA CYS A 110 5.562 -17.307 -0.947 1.00 0.00 H new ATOM 0 HB2 CYS A 110 7.742 -15.887 -0.877 1.00 0.00 H new ATOM 0 HB3 CYS A 110 6.775 -14.604 -1.577 1.00 0.00 H new ATOM 838 N PRO A 111 3.436 -16.254 -1.639 1.00 0.00 N ATOM 839 CA PRO A 111 2.139 -15.709 -2.049 1.00 0.00 C ATOM 840 C PRO A 111 1.973 -14.245 -1.655 1.00 0.00 C ATOM 841 O PRO A 111 0.920 -13.647 -1.877 1.00 0.00 O ATOM 842 CB PRO A 111 1.133 -16.583 -1.295 1.00 0.00 C ATOM 843 CG PRO A 111 1.879 -17.079 -0.106 1.00 0.00 C ATOM 844 CD PRO A 111 3.308 -17.236 -0.549 1.00 0.00 C ATOM 0 HA PRO A 111 2.014 -15.727 -3.132 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.254 -16.010 -1.000 1.00 0.00 H new ATOM 0 HB3 PRO A 111 0.783 -17.408 -1.915 1.00 0.00 H new ATOM 0 HG2 PRO A 111 1.803 -16.376 0.724 1.00 0.00 H new ATOM 0 HG3 PRO A 111 1.472 -18.028 0.242 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.006 -17.029 0.263 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.513 -18.249 -0.895 1.00 0.00 H new ATOM 852 N PHE A 112 3.020 -13.673 -1.070 1.00 0.00 N ATOM 853 CA PHE A 112 2.991 -12.279 -0.644 1.00 0.00 C ATOM 854 C PHE A 112 3.854 -11.413 -1.558 1.00 0.00 C ATOM 855 O PHE A 112 4.540 -11.919 -2.446 1.00 0.00 O ATOM 856 CB PHE A 112 3.474 -12.154 0.802 1.00 0.00 C ATOM 857 CG PHE A 112 2.384 -12.342 1.817 1.00 0.00 C ATOM 858 CD1 PHE A 112 1.424 -11.362 2.012 1.00 0.00 C ATOM 859 CD2 PHE A 112 2.319 -13.499 2.577 1.00 0.00 C ATOM 860 CE1 PHE A 112 0.419 -11.532 2.945 1.00 0.00 C ATOM 861 CE2 PHE A 112 1.315 -13.674 3.512 1.00 0.00 C ATOM 862 CZ PHE A 112 0.365 -12.689 3.697 1.00 0.00 C ATOM 0 H PHE A 112 3.899 -14.154 -0.880 1.00 0.00 H new ATOM 0 HA PHE A 112 1.961 -11.928 -0.706 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.256 -12.892 0.980 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.924 -11.171 0.942 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.462 -10.454 1.428 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.060 -14.272 2.438 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -0.324 -10.761 3.086 1.00 0.00 H new ATOM 0 HE2 PHE A 112 1.274 -14.581 4.097 1.00 0.00 H new ATOM 0 HZ PHE A 112 -0.418 -12.823 4.428 1.00 0.00 H new ATOM 872 N LEU A 113 3.814 -10.104 -1.333 1.00 0.00 N ATOM 873 CA LEU A 113 4.591 -9.166 -2.135 1.00 0.00 C ATOM 874 C LEU A 113 5.954 -8.907 -1.502 1.00 0.00 C ATOM 875 O LEU A 113 6.061 -8.714 -0.290 1.00 0.00 O ATOM 876 CB LEU A 113 3.831 -7.848 -2.293 1.00 0.00 C ATOM 877 CG LEU A 113 2.424 -7.951 -2.882 1.00 0.00 C ATOM 878 CD1 LEU A 113 1.407 -8.237 -1.788 1.00 0.00 C ATOM 879 CD2 LEU A 113 2.063 -6.675 -3.628 1.00 0.00 C ATOM 0 H LEU A 113 3.252 -9.669 -0.602 1.00 0.00 H new ATOM 0 HA LEU A 113 4.746 -9.609 -3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.760 -7.373 -1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.421 -7.185 -2.926 1.00 0.00 H new ATOM 0 HG LEU A 113 2.407 -8.779 -3.591 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.411 -8.307 -2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.655 -9.179 -1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.425 -7.431 -1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 113 1.058 -6.767 -4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.098 -5.830 -2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 113 2.774 -6.513 -4.438 1.00 0.00 H new ATOM 891 N HIS A 114 6.995 -8.903 -2.329 1.00 0.00 N ATOM 892 CA HIS A 114 8.352 -8.665 -1.850 1.00 0.00 C ATOM 893 C HIS A 114 8.887 -7.335 -2.373 1.00 0.00 C ATOM 894 O HIS A 114 9.243 -7.217 -3.546 1.00 0.00 O ATOM 895 CB HIS A 114 9.275 -9.805 -2.281 1.00 0.00 C ATOM 896 CG HIS A 114 9.289 -10.958 -1.325 1.00 0.00 C ATOM 897 ND1 HIS A 114 9.869 -12.173 -1.621 1.00 0.00 N ATOM 898 CD2 HIS A 114 8.791 -11.075 -0.072 1.00 0.00 C ATOM 899 CE1 HIS A 114 9.726 -12.989 -0.592 1.00 0.00 C ATOM 900 NE2 HIS A 114 9.076 -12.347 0.362 1.00 0.00 N ATOM 0 H HIS A 114 6.925 -9.062 -3.334 1.00 0.00 H new ATOM 0 HA HIS A 114 8.325 -8.622 -0.761 1.00 0.00 H new ATOM 0 HB2 HIS A 114 8.964 -10.162 -3.263 1.00 0.00 H new ATOM 0 HB3 HIS A 114 10.289 -9.420 -2.388 1.00 0.00 H new ATOM 0 HD1 HIS A 114 10.336 -12.406 -2.498 1.00 0.00 H new ATOM 0 HD2 HIS A 114 8.267 -10.311 0.483 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.080 -14.008 -0.540 1.00 0.00 H new ATOM 908 N ILE A 115 8.940 -6.338 -1.497 1.00 0.00 N ATOM 909 CA ILE A 115 9.432 -5.018 -1.871 1.00 0.00 C ATOM 910 C ILE A 115 10.678 -4.649 -1.072 1.00 0.00 C ATOM 911 O ILE A 115 10.758 -4.911 0.128 1.00 0.00 O ATOM 912 CB ILE A 115 8.358 -3.935 -1.655 1.00 0.00 C ATOM 913 CG1 ILE A 115 7.077 -4.300 -2.408 1.00 0.00 C ATOM 914 CG2 ILE A 115 8.877 -2.578 -2.107 1.00 0.00 C ATOM 915 CD1 ILE A 115 5.892 -3.434 -2.039 1.00 0.00 C ATOM 0 H ILE A 115 8.648 -6.419 -0.523 1.00 0.00 H new ATOM 0 HA ILE A 115 9.683 -5.063 -2.931 1.00 0.00 H new ATOM 0 HB ILE A 115 8.128 -3.878 -0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 115 7.258 -4.216 -3.480 1.00 0.00 H new ATOM 0 HG13 ILE A 115 6.831 -5.343 -2.207 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.107 -1.823 -1.948 1.00 0.00 H new ATOM 0 HG22 ILE A 115 9.765 -2.318 -1.531 1.00 0.00 H new ATOM 0 HG23 ILE A 115 9.131 -2.620 -3.166 1.00 0.00 H new ATOM 0 HD11 ILE A 115 5.019 -3.749 -2.611 1.00 0.00 H new ATOM 0 HD12 ILE A 115 5.684 -3.536 -0.974 1.00 0.00 H new ATOM 0 HD13 ILE A 115 6.118 -2.392 -2.266 1.00 0.00 H new ATOM 927 N ASP A 116 11.646 -4.038 -1.746 1.00 0.00 N ATOM 928 CA ASP A 116 12.887 -3.630 -1.099 1.00 0.00 C ATOM 929 C ASP A 116 12.612 -2.637 0.027 1.00 0.00 C ATOM 930 O ASP A 116 11.756 -1.760 -0.082 1.00 0.00 O ATOM 931 CB ASP A 116 13.840 -3.009 -2.122 1.00 0.00 C ATOM 932 CG ASP A 116 15.297 -3.206 -1.750 1.00 0.00 C ATOM 933 OD1 ASP A 116 15.724 -4.373 -1.621 1.00 0.00 O ATOM 934 OD2 ASP A 116 16.010 -2.194 -1.589 1.00 0.00 O ATOM 0 H ASP A 116 11.595 -3.814 -2.740 1.00 0.00 H new ATOM 0 HA ASP A 116 13.354 -4.517 -0.671 1.00 0.00 H new ATOM 0 HB2 ASP A 116 13.655 -3.451 -3.101 1.00 0.00 H new ATOM 0 HB3 ASP A 116 13.631 -1.943 -2.208 1.00 0.00 H new ATOM 939 N PRO A 117 13.355 -2.778 1.135 1.00 0.00 N ATOM 940 CA PRO A 117 13.209 -1.903 2.302 1.00 0.00 C ATOM 941 C PRO A 117 13.706 -0.487 2.031 1.00 0.00 C ATOM 942 O PRO A 117 13.713 0.359 2.924 1.00 0.00 O ATOM 943 CB PRO A 117 14.079 -2.581 3.364 1.00 0.00 C ATOM 944 CG PRO A 117 15.090 -3.354 2.589 1.00 0.00 C ATOM 945 CD PRO A 117 14.395 -3.802 1.333 1.00 0.00 C ATOM 0 HA PRO A 117 12.166 -1.786 2.596 1.00 0.00 H new ATOM 0 HB2 PRO A 117 14.555 -1.846 4.014 1.00 0.00 H new ATOM 0 HB3 PRO A 117 13.486 -3.235 4.003 1.00 0.00 H new ATOM 0 HG2 PRO A 117 15.958 -2.737 2.356 1.00 0.00 H new ATOM 0 HG3 PRO A 117 15.451 -4.209 3.161 1.00 0.00 H new ATOM 0 HD2 PRO A 117 15.082 -3.846 0.488 1.00 0.00 H new ATOM 0 HD3 PRO A 117 13.963 -4.797 1.445 1.00 0.00 H new ATOM 953 N GLU A 118 14.120 -0.237 0.793 1.00 0.00 N ATOM 954 CA GLU A 118 14.619 1.077 0.405 1.00 0.00 C ATOM 955 C GLU A 118 13.531 1.889 -0.291 1.00 0.00 C ATOM 956 O GLU A 118 13.567 3.119 -0.297 1.00 0.00 O ATOM 957 CB GLU A 118 15.833 0.936 -0.515 1.00 0.00 C ATOM 958 CG GLU A 118 16.998 0.198 0.123 1.00 0.00 C ATOM 959 CD GLU A 118 18.340 0.643 -0.426 1.00 0.00 C ATOM 960 OE1 GLU A 118 18.566 1.868 -0.520 1.00 0.00 O ATOM 961 OE2 GLU A 118 19.165 -0.233 -0.760 1.00 0.00 O ATOM 0 H GLU A 118 14.120 -0.927 0.042 1.00 0.00 H new ATOM 0 HA GLU A 118 14.918 1.605 1.311 1.00 0.00 H new ATOM 0 HB2 GLU A 118 15.533 0.409 -1.421 1.00 0.00 H new ATOM 0 HB3 GLU A 118 16.165 1.929 -0.819 1.00 0.00 H new ATOM 0 HG2 GLU A 118 16.979 0.359 1.201 1.00 0.00 H new ATOM 0 HG3 GLU A 118 16.879 -0.873 -0.042 1.00 0.00 H new ATOM 968 N SER A 119 12.563 1.190 -0.877 1.00 0.00 N ATOM 969 CA SER A 119 11.466 1.845 -1.580 1.00 0.00 C ATOM 970 C SER A 119 10.378 2.281 -0.603 1.00 0.00 C ATOM 971 O SER A 119 9.728 3.308 -0.798 1.00 0.00 O ATOM 972 CB SER A 119 10.875 0.905 -2.633 1.00 0.00 C ATOM 973 OG SER A 119 10.183 1.632 -3.634 1.00 0.00 O ATOM 0 H SER A 119 12.517 0.171 -0.879 1.00 0.00 H new ATOM 0 HA SER A 119 11.862 2.732 -2.075 1.00 0.00 H new ATOM 0 HB2 SER A 119 11.672 0.319 -3.090 1.00 0.00 H new ATOM 0 HB3 SER A 119 10.195 0.200 -2.155 1.00 0.00 H new ATOM 0 HG SER A 119 9.816 1.009 -4.296 1.00 0.00 H new ATOM 979 N LYS A 120 10.185 1.492 0.448 1.00 0.00 N ATOM 980 CA LYS A 120 9.178 1.794 1.458 1.00 0.00 C ATOM 981 C LYS A 120 9.737 2.737 2.519 1.00 0.00 C ATOM 982 O LYS A 120 9.931 2.345 3.670 1.00 0.00 O ATOM 983 CB LYS A 120 8.682 0.505 2.116 1.00 0.00 C ATOM 984 CG LYS A 120 8.307 -0.580 1.121 1.00 0.00 C ATOM 985 CD LYS A 120 8.549 -1.968 1.692 1.00 0.00 C ATOM 986 CE LYS A 120 7.351 -2.459 2.490 1.00 0.00 C ATOM 987 NZ LYS A 120 7.294 -1.840 3.843 1.00 0.00 N ATOM 0 H LYS A 120 10.714 0.637 0.623 1.00 0.00 H new ATOM 0 HA LYS A 120 8.341 2.287 0.964 1.00 0.00 H new ATOM 0 HB2 LYS A 120 9.458 0.125 2.781 1.00 0.00 H new ATOM 0 HB3 LYS A 120 7.815 0.734 2.736 1.00 0.00 H new ATOM 0 HG2 LYS A 120 7.257 -0.476 0.847 1.00 0.00 H new ATOM 0 HG3 LYS A 120 8.889 -0.455 0.208 1.00 0.00 H new ATOM 0 HD2 LYS A 120 8.757 -2.665 0.880 1.00 0.00 H new ATOM 0 HD3 LYS A 120 9.431 -1.951 2.332 1.00 0.00 H new ATOM 0 HE2 LYS A 120 6.434 -2.230 1.947 1.00 0.00 H new ATOM 0 HE3 LYS A 120 7.400 -3.543 2.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 6.740 -2.448 4.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 8.259 -1.735 4.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 6.844 -0.905 3.778 1.00 0.00 H new ATOM 1001 N ILE A 121 9.992 3.980 2.125 1.00 0.00 N ATOM 1002 CA ILE A 121 10.526 4.978 3.043 1.00 0.00 C ATOM 1003 C ILE A 121 9.972 6.364 2.731 1.00 0.00 C ATOM 1004 O ILE A 121 9.995 6.810 1.584 1.00 0.00 O ATOM 1005 CB ILE A 121 12.064 5.027 2.989 1.00 0.00 C ATOM 1006 CG1 ILE A 121 12.653 3.665 3.359 1.00 0.00 C ATOM 1007 CG2 ILE A 121 12.592 6.109 3.918 1.00 0.00 C ATOM 1008 CD1 ILE A 121 14.124 3.533 3.031 1.00 0.00 C ATOM 0 H ILE A 121 9.837 4.320 1.176 1.00 0.00 H new ATOM 0 HA ILE A 121 10.216 4.683 4.045 1.00 0.00 H new ATOM 0 HB ILE A 121 12.370 5.269 1.971 1.00 0.00 H new ATOM 0 HG12 ILE A 121 12.510 3.494 4.426 1.00 0.00 H new ATOM 0 HG13 ILE A 121 12.101 2.885 2.835 1.00 0.00 H new ATOM 0 HG21 ILE A 121 13.681 6.131 3.869 1.00 0.00 H new ATOM 0 HG22 ILE A 121 12.195 7.077 3.612 1.00 0.00 H new ATOM 0 HG23 ILE A 121 12.279 5.895 4.940 1.00 0.00 H new ATOM 0 HD11 ILE A 121 14.474 2.542 3.320 1.00 0.00 H new ATOM 0 HD12 ILE A 121 14.272 3.671 1.960 1.00 0.00 H new ATOM 0 HD13 ILE A 121 14.688 4.290 3.576 1.00 0.00 H new ATOM 1020 N LYS A 122 9.476 7.042 3.761 1.00 0.00 N ATOM 1021 CA LYS A 122 8.919 8.380 3.599 1.00 0.00 C ATOM 1022 C LYS A 122 10.026 9.411 3.408 1.00 0.00 C ATOM 1023 O LYS A 122 9.906 10.321 2.588 1.00 0.00 O ATOM 1024 CB LYS A 122 8.066 8.750 4.815 1.00 0.00 C ATOM 1025 CG LYS A 122 7.341 10.076 4.668 1.00 0.00 C ATOM 1026 CD LYS A 122 6.211 9.985 3.656 1.00 0.00 C ATOM 1027 CE LYS A 122 5.450 11.298 3.550 1.00 0.00 C ATOM 1028 NZ LYS A 122 4.217 11.160 2.727 1.00 0.00 N ATOM 0 H LYS A 122 9.448 6.687 4.717 1.00 0.00 H new ATOM 0 HA LYS A 122 8.290 8.380 2.708 1.00 0.00 H new ATOM 0 HB2 LYS A 122 7.333 7.962 4.988 1.00 0.00 H new ATOM 0 HB3 LYS A 122 8.704 8.790 5.698 1.00 0.00 H new ATOM 0 HG2 LYS A 122 6.941 10.382 5.635 1.00 0.00 H new ATOM 0 HG3 LYS A 122 8.048 10.846 4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 122 6.616 9.718 2.680 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.526 9.188 3.945 1.00 0.00 H new ATOM 0 HE2 LYS A 122 5.183 11.645 4.548 1.00 0.00 H new ATOM 0 HE3 LYS A 122 6.096 12.058 3.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 3.727 12.076 2.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 4.473 10.854 1.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 3.588 10.453 3.159 1.00 0.00 H new ATOM 1042 N ASP A 123 11.105 9.262 4.170 1.00 0.00 N ATOM 1043 CA ASP A 123 12.235 10.179 4.083 1.00 0.00 C ATOM 1044 C ASP A 123 13.071 9.894 2.839 1.00 0.00 C ATOM 1045 O ASP A 123 14.287 9.718 2.923 1.00 0.00 O ATOM 1046 CB ASP A 123 13.107 10.068 5.334 1.00 0.00 C ATOM 1047 CG ASP A 123 12.663 11.012 6.435 1.00 0.00 C ATOM 1048 OD1 ASP A 123 11.558 10.808 6.980 1.00 0.00 O ATOM 1049 OD2 ASP A 123 13.420 11.954 6.750 1.00 0.00 O ATOM 0 H ASP A 123 11.220 8.515 4.855 1.00 0.00 H new ATOM 0 HA ASP A 123 11.843 11.194 4.012 1.00 0.00 H new ATOM 0 HB2 ASP A 123 13.077 9.043 5.704 1.00 0.00 H new ATOM 0 HB3 ASP A 123 14.143 10.282 5.071 1.00 0.00 H new ATOM 1054 N CYS A 124 12.411 9.850 1.686 1.00 0.00 N ATOM 1055 CA CYS A 124 13.094 9.585 0.425 1.00 0.00 C ATOM 1056 C CYS A 124 12.285 10.120 -0.753 1.00 0.00 C ATOM 1057 O CYS A 124 11.083 10.366 -0.652 1.00 0.00 O ATOM 1058 CB CYS A 124 13.332 8.084 0.256 1.00 0.00 C ATOM 1059 SG CYS A 124 14.899 7.504 0.946 1.00 0.00 S ATOM 0 H CYS A 124 11.405 9.994 1.599 1.00 0.00 H new ATOM 0 HA CYS A 124 14.056 10.098 0.445 1.00 0.00 H new ATOM 0 HB2 CYS A 124 12.515 7.541 0.731 1.00 0.00 H new ATOM 0 HB3 CYS A 124 13.302 7.839 -0.806 1.00 0.00 H new ATOM 0 HG CYS A 124 15.209 8.223 1.984 1.00 0.00 H new ATOM 1065 N PRO A 125 12.959 10.306 -1.898 1.00 0.00 N ATOM 1066 CA PRO A 125 12.323 10.814 -3.117 1.00 0.00 C ATOM 1067 C PRO A 125 11.361 9.805 -3.733 1.00 0.00 C ATOM 1068 O PRO A 125 10.782 10.052 -4.791 1.00 0.00 O ATOM 1069 CB PRO A 125 13.506 11.067 -4.055 1.00 0.00 C ATOM 1070 CG PRO A 125 14.571 10.140 -3.580 1.00 0.00 C ATOM 1071 CD PRO A 125 14.393 10.033 -2.090 1.00 0.00 C ATOM 0 HA PRO A 125 11.718 11.700 -2.922 1.00 0.00 H new ATOM 0 HB2 PRO A 125 13.239 10.865 -5.092 1.00 0.00 H new ATOM 0 HB3 PRO A 125 13.834 12.105 -4.007 1.00 0.00 H new ATOM 0 HG2 PRO A 125 14.479 9.163 -4.055 1.00 0.00 H new ATOM 0 HG3 PRO A 125 15.561 10.523 -3.828 1.00 0.00 H new ATOM 0 HD2 PRO A 125 14.667 9.044 -1.723 1.00 0.00 H new ATOM 0 HD3 PRO A 125 15.014 10.754 -1.558 1.00 0.00 H new ATOM 1079 N TRP A 126 11.195 8.669 -3.065 1.00 0.00 N ATOM 1080 CA TRP A 126 10.301 7.623 -3.548 1.00 0.00 C ATOM 1081 C TRP A 126 8.918 7.754 -2.919 1.00 0.00 C ATOM 1082 O TRP A 126 8.789 8.145 -1.759 1.00 0.00 O ATOM 1083 CB TRP A 126 10.885 6.243 -3.241 1.00 0.00 C ATOM 1084 CG TRP A 126 12.384 6.221 -3.232 1.00 0.00 C ATOM 1085 CD1 TRP A 126 13.190 5.657 -2.285 1.00 0.00 C ATOM 1086 CD2 TRP A 126 13.255 6.790 -4.216 1.00 0.00 C ATOM 1087 NE1 TRP A 126 14.510 5.841 -2.620 1.00 0.00 N ATOM 1088 CE2 TRP A 126 14.577 6.532 -3.801 1.00 0.00 C ATOM 1089 CE3 TRP A 126 13.048 7.490 -5.407 1.00 0.00 C ATOM 1090 CZ2 TRP A 126 15.682 6.952 -4.536 1.00 0.00 C ATOM 1091 CZ3 TRP A 126 14.146 7.906 -6.135 1.00 0.00 C ATOM 1092 CH2 TRP A 126 15.450 7.636 -5.698 1.00 0.00 C ATOM 0 H TRP A 126 11.667 8.449 -2.188 1.00 0.00 H new ATOM 0 HA TRP A 126 10.200 7.736 -4.627 1.00 0.00 H new ATOM 0 HB2 TRP A 126 10.518 5.909 -2.271 1.00 0.00 H new ATOM 0 HB3 TRP A 126 10.523 5.530 -3.982 1.00 0.00 H new ATOM 0 HD1 TRP A 126 12.841 5.142 -1.402 1.00 0.00 H new ATOM 0 HE1 TRP A 126 15.310 5.516 -2.077 1.00 0.00 H new ATOM 0 HE3 TRP A 126 12.047 7.702 -5.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 16.688 6.745 -4.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 13.997 8.449 -7.057 1.00 0.00 H new ATOM 0 HH2 TRP A 126 16.288 7.974 -6.290 1.00 0.00 H new ATOM 1103 N SER A 127 7.888 7.426 -3.692 1.00 0.00 N ATOM 1104 CA SER A 127 6.514 7.511 -3.210 1.00 0.00 C ATOM 1105 C SER A 127 5.697 6.314 -3.686 1.00 0.00 C ATOM 1106 O SER A 127 5.418 6.171 -4.875 1.00 0.00 O ATOM 1107 CB SER A 127 5.863 8.810 -3.690 1.00 0.00 C ATOM 1108 OG SER A 127 4.483 8.838 -3.368 1.00 0.00 O ATOM 0 H SER A 127 7.978 7.099 -4.654 1.00 0.00 H new ATOM 0 HA SER A 127 6.536 7.504 -2.120 1.00 0.00 H new ATOM 0 HB2 SER A 127 6.364 9.663 -3.232 1.00 0.00 H new ATOM 0 HB3 SER A 127 5.990 8.907 -4.768 1.00 0.00 H new ATOM 0 HG SER A 127 4.090 9.679 -3.684 1.00 0.00 H new ATOM 1114 N GLY A 128 5.315 5.455 -2.745 1.00 0.00 N ATOM 1115 CA GLY A 128 4.534 4.280 -3.086 1.00 0.00 C ATOM 1116 C GLY A 128 5.290 3.320 -3.982 1.00 0.00 C ATOM 1117 O GLY A 128 6.512 3.189 -3.896 1.00 0.00 O ATOM 0 H GLY A 128 5.532 5.552 -1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 128 4.242 3.764 -2.171 1.00 0.00 H new ATOM 0 HA3 GLY A 128 3.616 4.590 -3.584 1.00 0.00 H new ATOM 1121 N PRO A 129 4.557 2.627 -4.867 1.00 0.00 N ATOM 1122 CA PRO A 129 5.146 1.662 -5.799 1.00 0.00 C ATOM 1123 C PRO A 129 5.988 2.336 -6.877 1.00 0.00 C ATOM 1124 O PRO A 129 7.066 1.855 -7.227 1.00 0.00 O ATOM 1125 CB PRO A 129 3.926 0.980 -6.422 1.00 0.00 C ATOM 1126 CG PRO A 129 2.829 1.981 -6.298 1.00 0.00 C ATOM 1127 CD PRO A 129 3.097 2.734 -5.025 1.00 0.00 C ATOM 0 HA PRO A 129 5.826 0.974 -5.297 1.00 0.00 H new ATOM 0 HB2 PRO A 129 4.108 0.719 -7.464 1.00 0.00 H new ATOM 0 HB3 PRO A 129 3.679 0.055 -5.900 1.00 0.00 H new ATOM 0 HG2 PRO A 129 2.817 2.655 -7.155 1.00 0.00 H new ATOM 0 HG3 PRO A 129 1.856 1.491 -6.264 1.00 0.00 H new ATOM 0 HD2 PRO A 129 2.776 3.773 -5.097 1.00 0.00 H new ATOM 0 HD3 PRO A 129 2.568 2.295 -4.179 1.00 0.00 H new ATOM 1135 N SER A 130 5.489 3.451 -7.399 1.00 0.00 N ATOM 1136 CA SER A 130 6.195 4.190 -8.440 1.00 0.00 C ATOM 1137 C SER A 130 7.280 5.076 -7.837 1.00 0.00 C ATOM 1138 O SER A 130 7.021 6.213 -7.444 1.00 0.00 O ATOM 1139 CB SER A 130 5.212 5.043 -9.245 1.00 0.00 C ATOM 1140 OG SER A 130 4.577 6.004 -8.419 1.00 0.00 O ATOM 0 H SER A 130 4.599 3.863 -7.119 1.00 0.00 H new ATOM 0 HA SER A 130 6.669 3.469 -9.106 1.00 0.00 H new ATOM 0 HB2 SER A 130 5.741 5.547 -10.054 1.00 0.00 H new ATOM 0 HB3 SER A 130 4.461 4.401 -9.706 1.00 0.00 H new ATOM 0 HG SER A 130 5.245 6.436 -7.847 1.00 0.00 H new ATOM 1146 N SER A 131 8.497 4.546 -7.768 1.00 0.00 N ATOM 1147 CA SER A 131 9.623 5.286 -7.210 1.00 0.00 C ATOM 1148 C SER A 131 10.174 6.283 -8.225 1.00 0.00 C ATOM 1149 O SER A 131 10.851 5.904 -9.179 1.00 0.00 O ATOM 1150 CB SER A 131 10.728 4.322 -6.773 1.00 0.00 C ATOM 1151 OG SER A 131 11.283 3.644 -7.886 1.00 0.00 O ATOM 0 H SER A 131 8.729 3.607 -8.092 1.00 0.00 H new ATOM 0 HA SER A 131 9.268 5.838 -6.340 1.00 0.00 H new ATOM 0 HB2 SER A 131 11.511 4.873 -6.252 1.00 0.00 H new ATOM 0 HB3 SER A 131 10.324 3.597 -6.066 1.00 0.00 H new ATOM 0 HG SER A 131 11.276 4.236 -8.667 1.00 0.00 H new ATOM 1157 N GLY A 132 9.878 7.562 -8.010 1.00 0.00 N ATOM 1158 CA GLY A 132 10.352 8.594 -8.913 1.00 0.00 C ATOM 1159 C GLY A 132 10.081 9.991 -8.389 1.00 0.00 C ATOM 1160 O GLY A 132 10.517 10.311 -7.284 1.00 0.00 O ATOM 0 H GLY A 132 9.319 7.901 -7.227 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.423 8.470 -9.071 1.00 0.00 H new ATOM 0 HA3 GLY A 132 9.870 8.473 -9.883 1.00 0.00 H new TER 1164 GLY A 132 HETATM 1165 ZN ZN A 256 -13.434 -9.996 7.647 1.00 0.00 ZN HETATM 1166 ZN ZN A 456 7.665 -13.584 1.757 1.00 0.00 ZN