USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 725 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 38 LYS NZ :NH3+ -166:sc= 0.734 (180deg=0.597) USER MOD Set 1.2: A 64 THR OG1 : rot -44:sc= 0.993 USER MOD Set 2.1: A 45 TYR OH : rot 180:sc= 0.0471 USER MOD Set 2.2: A 56 TYR OH : rot -87:sc= 0.104 USER MOD Set 3.1: A 6 SER OG : rot -79:sc= 0.984 USER MOD Set 3.2: A 9 SER OG : rot 34:sc= 1.18 USER MOD Set 3.3: A 11 SER OG : rot 28:sc= -0.42 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 180:sc= -0.11 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 46:sc= 1.11 USER MOD Single : A 17 SER OG : rot 180:sc= -0.0595 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -151:sc= -0.205 (180deg=-0.812) USER MOD Single : A 31 GLN : amide:sc= -0.0463 X(o=-0.046,f=-0.046) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 39 GLN : amide:sc= -3.1! C(o=-3.1!,f=-3.2!) USER MOD Single : A 47 LYS NZ :NH3+ -112:sc= 1.07 (180deg=-0.307) USER MOD Single : A 48 THR OG1 : rot 173:sc= 1.66 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.772 K(o=-0.77,f=-1.6) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 30:sc= 0 USER MOD Single : A 78 THR OG1 : rot 42:sc= 0.0277 USER MOD Single : A 79 CYS SG : rot 21:sc= -1.5 USER MOD Single : A 83 HIS : no HE2:sc= -5.22! C(o=-5.2!,f=-5.7!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN :FLIP amide:sc= -0.156 F(o=-1.3,f=-0.16) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -64:sc= 0.812 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.940 -28.045 -2.991 1.00 0.00 N ATOM 2 CA GLY A 1 22.358 -28.080 -2.539 1.00 0.00 C ATOM 3 C GLY A 1 22.484 -28.213 -1.034 1.00 0.00 C ATOM 4 O GLY A 1 22.042 -29.203 -0.453 1.00 0.00 O ATOM 0 H1 GLY A 1 20.908 -27.953 -4.026 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.463 -28.924 -2.706 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.457 -27.233 -2.556 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.868 -28.915 -3.018 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.862 -27.170 -2.864 1.00 0.00 H new ATOM 10 N SER A 2 23.089 -27.212 -0.402 1.00 0.00 N ATOM 11 CA SER A 2 23.272 -27.221 1.044 1.00 0.00 C ATOM 12 C SER A 2 23.359 -25.800 1.591 1.00 0.00 C ATOM 13 O SER A 2 24.234 -25.027 1.200 1.00 0.00 O ATOM 14 CB SER A 2 24.535 -28.001 1.415 1.00 0.00 C ATOM 15 OG SER A 2 25.526 -27.876 0.410 1.00 0.00 O ATOM 0 H SER A 2 23.461 -26.385 -0.869 1.00 0.00 H new ATOM 0 HA SER A 2 22.407 -27.710 1.491 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.927 -27.635 2.364 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.288 -29.053 1.557 1.00 0.00 H new ATOM 0 HG SER A 2 26.323 -28.382 0.672 1.00 0.00 H new ATOM 21 N SER A 3 22.448 -25.463 2.496 1.00 0.00 N ATOM 22 CA SER A 3 22.422 -24.134 3.097 1.00 0.00 C ATOM 23 C SER A 3 22.217 -23.060 2.034 1.00 0.00 C ATOM 24 O SER A 3 23.126 -22.756 1.261 1.00 0.00 O ATOM 25 CB SER A 3 23.722 -23.871 3.860 1.00 0.00 C ATOM 26 OG SER A 3 24.326 -25.085 4.273 1.00 0.00 O ATOM 0 H SER A 3 21.717 -26.091 2.830 1.00 0.00 H new ATOM 0 HA SER A 3 21.585 -24.094 3.794 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.413 -23.315 3.227 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.517 -23.249 4.731 1.00 0.00 H new ATOM 0 HG SER A 3 25.156 -24.890 4.757 1.00 0.00 H new ATOM 32 N GLY A 4 21.018 -22.489 2.000 1.00 0.00 N ATOM 33 CA GLY A 4 20.715 -21.457 1.027 1.00 0.00 C ATOM 34 C GLY A 4 19.769 -21.938 -0.056 1.00 0.00 C ATOM 35 O GLY A 4 18.611 -21.523 -0.106 1.00 0.00 O ATOM 0 H GLY A 4 20.250 -22.723 2.630 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.273 -20.601 1.536 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.642 -21.112 0.568 1.00 0.00 H new ATOM 39 N SER A 5 20.263 -22.814 -0.923 1.00 0.00 N ATOM 40 CA SER A 5 19.453 -23.353 -2.010 1.00 0.00 C ATOM 41 C SER A 5 18.432 -24.356 -1.482 1.00 0.00 C ATOM 42 O SER A 5 18.670 -25.031 -0.481 1.00 0.00 O ATOM 43 CB SER A 5 20.346 -24.019 -3.057 1.00 0.00 C ATOM 44 OG SER A 5 19.888 -23.743 -4.370 1.00 0.00 O ATOM 0 H SER A 5 21.220 -23.166 -0.895 1.00 0.00 H new ATOM 0 HA SER A 5 18.916 -22.526 -2.474 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.370 -23.664 -2.944 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.362 -25.097 -2.893 1.00 0.00 H new ATOM 0 HG SER A 5 20.477 -24.179 -5.020 1.00 0.00 H new ATOM 50 N SER A 6 17.294 -24.447 -2.163 1.00 0.00 N ATOM 51 CA SER A 6 16.235 -25.368 -1.762 1.00 0.00 C ATOM 52 C SER A 6 16.581 -26.799 -2.159 1.00 0.00 C ATOM 53 O SER A 6 16.541 -27.710 -1.332 1.00 0.00 O ATOM 54 CB SER A 6 14.906 -24.956 -2.397 1.00 0.00 C ATOM 55 OG SER A 6 13.827 -25.171 -1.504 1.00 0.00 O ATOM 0 H SER A 6 17.081 -23.895 -2.994 1.00 0.00 H new ATOM 0 HA SER A 6 16.140 -25.324 -0.677 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.945 -23.904 -2.679 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.744 -25.526 -3.312 1.00 0.00 H new ATOM 0 HG SER A 6 13.582 -26.120 -1.509 1.00 0.00 H new ATOM 61 N GLY A 7 16.919 -26.990 -3.431 1.00 0.00 N ATOM 62 CA GLY A 7 17.265 -28.313 -3.914 1.00 0.00 C ATOM 63 C GLY A 7 16.069 -29.243 -3.969 1.00 0.00 C ATOM 64 O GLY A 7 15.452 -29.532 -2.945 1.00 0.00 O ATOM 0 H GLY A 7 16.959 -26.252 -4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.702 -28.230 -4.909 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.027 -28.745 -3.266 1.00 0.00 H new ATOM 68 N LYS A 8 15.740 -29.711 -5.168 1.00 0.00 N ATOM 69 CA LYS A 8 14.610 -30.613 -5.353 1.00 0.00 C ATOM 70 C LYS A 8 13.309 -29.953 -4.906 1.00 0.00 C ATOM 71 O LYS A 8 12.412 -30.616 -4.384 1.00 0.00 O ATOM 72 CB LYS A 8 14.832 -31.910 -4.572 1.00 0.00 C ATOM 73 CG LYS A 8 14.346 -33.152 -5.303 1.00 0.00 C ATOM 74 CD LYS A 8 14.933 -34.417 -4.702 1.00 0.00 C ATOM 75 CE LYS A 8 14.272 -34.765 -3.378 1.00 0.00 C ATOM 76 NZ LYS A 8 13.090 -35.651 -3.563 1.00 0.00 N ATOM 0 H LYS A 8 16.240 -29.480 -6.026 1.00 0.00 H new ATOM 0 HA LYS A 8 14.533 -30.846 -6.415 1.00 0.00 H new ATOM 0 HB2 LYS A 8 15.895 -32.018 -4.358 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.319 -31.839 -3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.258 -33.198 -5.260 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.621 -33.087 -6.356 1.00 0.00 H new ATOM 0 HD2 LYS A 8 14.808 -35.244 -5.400 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.005 -34.286 -4.551 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.996 -35.257 -2.729 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.964 -33.849 -2.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.668 -35.865 -2.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.387 -35.172 -4.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.388 -36.536 -4.020 1.00 0.00 H new ATOM 90 N SER A 9 13.214 -28.645 -5.116 1.00 0.00 N ATOM 91 CA SER A 9 12.023 -27.893 -4.734 1.00 0.00 C ATOM 92 C SER A 9 12.131 -26.438 -5.186 1.00 0.00 C ATOM 93 O SER A 9 12.637 -25.588 -4.453 1.00 0.00 O ATOM 94 CB SER A 9 11.820 -27.955 -3.220 1.00 0.00 C ATOM 95 OG SER A 9 12.843 -27.251 -2.538 1.00 0.00 O ATOM 0 H SER A 9 13.947 -28.083 -5.549 1.00 0.00 H new ATOM 0 HA SER A 9 11.163 -28.346 -5.228 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.849 -27.531 -2.963 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.810 -28.995 -2.894 1.00 0.00 H new ATOM 0 HG SER A 9 13.125 -26.482 -3.076 1.00 0.00 H new ATOM 101 N PRO A 10 11.654 -26.131 -6.405 1.00 0.00 N ATOM 102 CA PRO A 10 11.701 -24.770 -6.951 1.00 0.00 C ATOM 103 C PRO A 10 11.136 -23.735 -5.982 1.00 0.00 C ATOM 104 O PRO A 10 9.963 -23.793 -5.612 1.00 0.00 O ATOM 105 CB PRO A 10 10.829 -24.862 -8.205 1.00 0.00 C ATOM 106 CG PRO A 10 10.911 -26.289 -8.618 1.00 0.00 C ATOM 107 CD PRO A 10 11.034 -27.083 -7.347 1.00 0.00 C ATOM 0 HA PRO A 10 12.722 -24.445 -7.148 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.800 -24.569 -7.994 1.00 0.00 H new ATOM 0 HB3 PRO A 10 11.194 -24.201 -8.991 1.00 0.00 H new ATOM 0 HG2 PRO A 10 10.024 -26.584 -9.178 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.769 -26.458 -9.268 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.062 -27.424 -6.991 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.652 -27.970 -7.486 1.00 0.00 H new ATOM 115 N SER A 11 11.978 -22.792 -5.576 1.00 0.00 N ATOM 116 CA SER A 11 11.563 -21.744 -4.650 1.00 0.00 C ATOM 117 C SER A 11 12.415 -20.492 -4.830 1.00 0.00 C ATOM 118 O SER A 11 13.639 -20.539 -4.709 1.00 0.00 O ATOM 119 CB SER A 11 11.663 -22.240 -3.207 1.00 0.00 C ATOM 120 OG SER A 11 12.964 -22.724 -2.922 1.00 0.00 O ATOM 0 H SER A 11 12.952 -22.731 -5.873 1.00 0.00 H new ATOM 0 HA SER A 11 10.525 -21.491 -4.868 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.416 -21.429 -2.523 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.933 -23.032 -3.040 1.00 0.00 H new ATOM 0 HG SER A 11 13.617 -22.260 -3.486 1.00 0.00 H new ATOM 126 N SER A 12 11.760 -19.372 -5.120 1.00 0.00 N ATOM 127 CA SER A 12 12.458 -18.107 -5.317 1.00 0.00 C ATOM 128 C SER A 12 12.646 -17.376 -3.988 1.00 0.00 C ATOM 129 O SER A 12 11.805 -17.471 -3.095 1.00 0.00 O ATOM 130 CB SER A 12 11.686 -17.221 -6.295 1.00 0.00 C ATOM 131 OG SER A 12 12.134 -17.418 -7.625 1.00 0.00 O ATOM 0 H SER A 12 10.747 -19.315 -5.224 1.00 0.00 H new ATOM 0 HA SER A 12 13.441 -18.324 -5.734 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.621 -17.444 -6.230 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.810 -16.174 -6.018 1.00 0.00 H new ATOM 0 HG SER A 12 11.623 -16.841 -8.231 1.00 0.00 H new ATOM 137 N PRO A 13 13.757 -16.634 -3.842 1.00 0.00 N ATOM 138 CA PRO A 13 14.051 -15.887 -2.616 1.00 0.00 C ATOM 139 C PRO A 13 13.173 -14.647 -2.469 1.00 0.00 C ATOM 140 O PRO A 13 13.671 -13.521 -2.431 1.00 0.00 O ATOM 141 CB PRO A 13 15.517 -15.489 -2.790 1.00 0.00 C ATOM 142 CG PRO A 13 15.713 -15.415 -4.264 1.00 0.00 C ATOM 143 CD PRO A 13 14.814 -16.466 -4.859 1.00 0.00 C ATOM 0 HA PRO A 13 13.859 -16.477 -1.720 1.00 0.00 H new ATOM 0 HB2 PRO A 13 15.727 -14.531 -2.313 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.184 -16.223 -2.338 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.458 -14.425 -4.642 1.00 0.00 H new ATOM 0 HG3 PRO A 13 16.755 -15.598 -4.528 1.00 0.00 H new ATOM 0 HD2 PRO A 13 14.402 -16.146 -5.816 1.00 0.00 H new ATOM 0 HD3 PRO A 13 15.350 -17.398 -5.038 1.00 0.00 H new ATOM 151 N SER A 14 11.865 -14.862 -2.384 1.00 0.00 N ATOM 152 CA SER A 14 10.918 -13.763 -2.239 1.00 0.00 C ATOM 153 C SER A 14 9.517 -14.286 -1.932 1.00 0.00 C ATOM 154 O SER A 14 8.627 -14.244 -2.780 1.00 0.00 O ATOM 155 CB SER A 14 10.891 -12.915 -3.513 1.00 0.00 C ATOM 156 OG SER A 14 11.805 -11.835 -3.427 1.00 0.00 O ATOM 0 H SER A 14 11.436 -15.787 -2.413 1.00 0.00 H new ATOM 0 HA SER A 14 11.245 -13.143 -1.404 1.00 0.00 H new ATOM 0 HB2 SER A 14 11.139 -13.537 -4.373 1.00 0.00 H new ATOM 0 HB3 SER A 14 9.884 -12.531 -3.677 1.00 0.00 H new ATOM 0 HG SER A 14 12.662 -12.159 -3.080 1.00 0.00 H new ATOM 162 N LEU A 15 9.331 -14.780 -0.712 1.00 0.00 N ATOM 163 CA LEU A 15 8.041 -15.312 -0.292 1.00 0.00 C ATOM 164 C LEU A 15 7.949 -15.373 1.230 1.00 0.00 C ATOM 165 O LEU A 15 6.940 -14.983 1.817 1.00 0.00 O ATOM 166 CB LEU A 15 7.822 -16.705 -0.888 1.00 0.00 C ATOM 167 CG LEU A 15 6.467 -16.912 -1.568 1.00 0.00 C ATOM 168 CD1 LEU A 15 6.577 -16.659 -3.063 1.00 0.00 C ATOM 169 CD2 LEU A 15 5.945 -18.315 -1.300 1.00 0.00 C ATOM 0 H LEU A 15 10.058 -14.823 0.002 1.00 0.00 H new ATOM 0 HA LEU A 15 7.262 -14.644 -0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.610 -16.901 -1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.930 -17.444 -0.094 1.00 0.00 H new ATOM 0 HG LEU A 15 5.759 -16.197 -1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.604 -16.811 -3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.906 -15.634 -3.235 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.300 -17.350 -3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.981 -18.444 -1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.652 -19.047 -1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.828 -18.461 -0.226 1.00 0.00 H new ATOM 181 N GLY A 16 9.009 -15.866 1.863 1.00 0.00 N ATOM 182 CA GLY A 16 9.027 -15.969 3.310 1.00 0.00 C ATOM 183 C GLY A 16 10.419 -15.795 3.886 1.00 0.00 C ATOM 184 O GLY A 16 10.794 -16.479 4.837 1.00 0.00 O ATOM 0 H GLY A 16 9.856 -16.196 1.399 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.365 -15.214 3.733 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.633 -16.941 3.607 1.00 0.00 H new ATOM 188 N SER A 17 11.185 -14.875 3.307 1.00 0.00 N ATOM 189 CA SER A 17 12.544 -14.613 3.769 1.00 0.00 C ATOM 190 C SER A 17 13.412 -15.861 3.644 1.00 0.00 C ATOM 191 O SER A 17 12.964 -16.893 3.145 1.00 0.00 O ATOM 192 CB SER A 17 12.527 -14.132 5.221 1.00 0.00 C ATOM 193 OG SER A 17 13.661 -13.329 5.505 1.00 0.00 O ATOM 0 H SER A 17 10.889 -14.300 2.519 1.00 0.00 H new ATOM 0 HA SER A 17 12.971 -13.832 3.140 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.617 -13.561 5.408 1.00 0.00 H new ATOM 0 HB3 SER A 17 12.508 -14.991 5.892 1.00 0.00 H new ATOM 0 HG SER A 17 13.626 -13.032 6.438 1.00 0.00 H new ATOM 199 N LEU A 18 14.655 -15.758 4.101 1.00 0.00 N ATOM 200 CA LEU A 18 15.587 -16.879 4.041 1.00 0.00 C ATOM 201 C LEU A 18 16.365 -17.010 5.345 1.00 0.00 C ATOM 202 O LEU A 18 16.491 -18.104 5.897 1.00 0.00 O ATOM 203 CB LEU A 18 16.556 -16.700 2.871 1.00 0.00 C ATOM 204 CG LEU A 18 17.228 -15.328 2.790 1.00 0.00 C ATOM 205 CD1 LEU A 18 18.574 -15.351 3.499 1.00 0.00 C ATOM 206 CD2 LEU A 18 17.395 -14.901 1.340 1.00 0.00 C ATOM 0 H LEU A 18 15.041 -14.910 4.517 1.00 0.00 H new ATOM 0 HA LEU A 18 15.010 -17.792 3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 18 17.331 -17.463 2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 18 16.016 -16.878 1.941 1.00 0.00 H new ATOM 0 HG LEU A 18 16.588 -14.601 3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 18 19.038 -14.367 3.431 1.00 0.00 H new ATOM 0 HD12 LEU A 18 18.429 -15.612 4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.221 -16.090 3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 18 17.875 -13.923 1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 18 18.013 -15.629 0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 18 16.417 -14.844 0.862 1.00 0.00 H new ATOM 218 N GLN A 19 16.885 -15.889 5.835 1.00 0.00 N ATOM 219 CA GLN A 19 17.650 -15.880 7.075 1.00 0.00 C ATOM 220 C GLN A 19 17.452 -14.567 7.827 1.00 0.00 C ATOM 221 O GLN A 19 16.934 -14.552 8.944 1.00 0.00 O ATOM 222 CB GLN A 19 19.136 -16.093 6.783 1.00 0.00 C ATOM 223 CG GLN A 19 19.929 -16.581 7.985 1.00 0.00 C ATOM 224 CD GLN A 19 21.419 -16.650 7.713 1.00 0.00 C ATOM 225 OE1 GLN A 19 22.025 -15.678 7.261 1.00 0.00 O ATOM 226 NE2 GLN A 19 22.018 -17.803 7.986 1.00 0.00 N ATOM 0 H GLN A 19 16.790 -14.975 5.391 1.00 0.00 H new ATOM 0 HA GLN A 19 17.289 -16.696 7.701 1.00 0.00 H new ATOM 0 HB2 GLN A 19 19.239 -16.815 5.973 1.00 0.00 H new ATOM 0 HB3 GLN A 19 19.566 -15.156 6.431 1.00 0.00 H new ATOM 0 HG2 GLN A 19 19.748 -15.915 8.829 1.00 0.00 H new ATOM 0 HG3 GLN A 19 19.570 -17.569 8.275 1.00 0.00 H new ATOM 0 HE21 GLN A 19 21.477 -18.583 8.360 1.00 0.00 H new ATOM 0 HE22 GLN A 19 23.019 -17.909 7.822 1.00 0.00 H new ATOM 235 N GLN A 20 17.866 -13.468 7.207 1.00 0.00 N ATOM 236 CA GLN A 20 17.735 -12.150 7.817 1.00 0.00 C ATOM 237 C GLN A 20 17.027 -11.182 6.874 1.00 0.00 C ATOM 238 O GLN A 20 16.064 -10.517 7.258 1.00 0.00 O ATOM 239 CB GLN A 20 19.111 -11.598 8.192 1.00 0.00 C ATOM 240 CG GLN A 20 19.710 -12.246 9.429 1.00 0.00 C ATOM 241 CD GLN A 20 20.592 -11.297 10.215 1.00 0.00 C ATOM 242 OE1 GLN A 20 20.111 -10.344 10.826 1.00 0.00 O ATOM 243 NE2 GLN A 20 21.896 -11.554 10.203 1.00 0.00 N ATOM 0 H GLN A 20 18.295 -13.463 6.282 1.00 0.00 H new ATOM 0 HA GLN A 20 17.135 -12.255 8.721 1.00 0.00 H new ATOM 0 HB2 GLN A 20 19.791 -11.740 7.352 1.00 0.00 H new ATOM 0 HB3 GLN A 20 19.029 -10.524 8.358 1.00 0.00 H new ATOM 0 HG2 GLN A 20 18.906 -12.605 10.072 1.00 0.00 H new ATOM 0 HG3 GLN A 20 20.294 -13.117 9.132 1.00 0.00 H new ATOM 0 HE21 GLN A 20 22.253 -12.356 9.683 1.00 0.00 H new ATOM 0 HE22 GLN A 20 22.540 -10.950 10.714 1.00 0.00 H new ATOM 252 N ARG A 21 17.510 -11.108 5.639 1.00 0.00 N ATOM 253 CA ARG A 21 16.924 -10.221 4.640 1.00 0.00 C ATOM 254 C ARG A 21 15.579 -10.757 4.159 1.00 0.00 C ATOM 255 O ARG A 21 15.493 -11.869 3.639 1.00 0.00 O ATOM 256 CB ARG A 21 17.879 -10.055 3.454 1.00 0.00 C ATOM 257 CG ARG A 21 18.237 -8.608 3.161 1.00 0.00 C ATOM 258 CD ARG A 21 19.651 -8.484 2.617 1.00 0.00 C ATOM 259 NE ARG A 21 19.681 -8.526 1.157 1.00 0.00 N ATOM 260 CZ ARG A 21 20.711 -8.107 0.424 1.00 0.00 C ATOM 261 NH1 ARG A 21 21.795 -7.616 1.010 1.00 0.00 N ATOM 262 NH2 ARG A 21 20.656 -8.181 -0.900 1.00 0.00 N ATOM 0 H ARG A 21 18.306 -11.651 5.305 1.00 0.00 H new ATOM 0 HA ARG A 21 16.760 -9.248 5.103 1.00 0.00 H new ATOM 0 HB2 ARG A 21 18.793 -10.614 3.653 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.424 -10.495 2.567 1.00 0.00 H new ATOM 0 HG2 ARG A 21 17.531 -8.196 2.440 1.00 0.00 H new ATOM 0 HG3 ARG A 21 18.143 -8.017 4.072 1.00 0.00 H new ATOM 0 HD2 ARG A 21 20.091 -7.549 2.962 1.00 0.00 H new ATOM 0 HD3 ARG A 21 20.265 -9.292 3.016 1.00 0.00 H new ATOM 0 HE ARG A 21 18.865 -8.898 0.671 1.00 0.00 H new ATOM 0 HH11 ARG A 21 21.843 -7.558 2.027 1.00 0.00 H new ATOM 0 HH12 ARG A 21 22.581 -7.297 0.443 1.00 0.00 H new ATOM 0 HH21 ARG A 21 19.825 -8.559 -1.356 1.00 0.00 H new ATOM 0 HH22 ARG A 21 21.445 -7.860 -1.462 1.00 0.00 H new ATOM 276 N GLU A 22 14.533 -9.956 4.334 1.00 0.00 N ATOM 277 CA GLU A 22 13.192 -10.349 3.917 1.00 0.00 C ATOM 278 C GLU A 22 12.945 -9.971 2.460 1.00 0.00 C ATOM 279 O GLU A 22 13.712 -9.214 1.865 1.00 0.00 O ATOM 280 CB GLU A 22 12.142 -9.690 4.812 1.00 0.00 C ATOM 281 CG GLU A 22 12.134 -8.172 4.726 1.00 0.00 C ATOM 282 CD GLU A 22 11.778 -7.515 6.045 1.00 0.00 C ATOM 283 OE1 GLU A 22 10.842 -8.000 6.715 1.00 0.00 O ATOM 284 OE2 GLU A 22 12.433 -6.516 6.406 1.00 0.00 O ATOM 0 H GLU A 22 14.588 -9.032 4.761 1.00 0.00 H new ATOM 0 HA GLU A 22 13.111 -11.432 4.013 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.156 -10.066 4.539 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.321 -9.986 5.846 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.116 -7.825 4.405 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.420 -7.859 3.964 1.00 0.00 H new ATOM 291 N GLY A 23 11.869 -10.504 1.890 1.00 0.00 N ATOM 292 CA GLY A 23 11.540 -10.211 0.507 1.00 0.00 C ATOM 293 C GLY A 23 10.425 -9.191 0.378 1.00 0.00 C ATOM 294 O GLY A 23 9.653 -9.225 -0.579 1.00 0.00 O ATOM 0 H GLY A 23 11.219 -11.133 2.361 1.00 0.00 H new ATOM 0 HA2 GLY A 23 12.429 -9.839 -0.003 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.245 -11.132 0.004 1.00 0.00 H new ATOM 298 N ALA A 24 10.342 -8.283 1.344 1.00 0.00 N ATOM 299 CA ALA A 24 9.314 -7.250 1.335 1.00 0.00 C ATOM 300 C ALA A 24 9.828 -5.969 0.687 1.00 0.00 C ATOM 301 O ALA A 24 10.766 -5.344 1.183 1.00 0.00 O ATOM 302 CB ALA A 24 8.834 -6.970 2.751 1.00 0.00 C ATOM 0 H ALA A 24 10.975 -8.242 2.143 1.00 0.00 H new ATOM 0 HA ALA A 24 8.474 -7.614 0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.066 -6.196 2.729 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.418 -7.881 3.181 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.673 -6.631 3.359 1.00 0.00 H new ATOM 308 N LYS A 25 9.209 -5.583 -0.423 1.00 0.00 N ATOM 309 CA LYS A 25 9.603 -4.376 -1.139 1.00 0.00 C ATOM 310 C LYS A 25 9.237 -3.127 -0.343 1.00 0.00 C ATOM 311 O LYS A 25 10.011 -2.173 -0.273 1.00 0.00 O ATOM 312 CB LYS A 25 8.937 -4.333 -2.517 1.00 0.00 C ATOM 313 CG LYS A 25 9.855 -4.761 -3.650 1.00 0.00 C ATOM 314 CD LYS A 25 10.058 -6.267 -3.665 1.00 0.00 C ATOM 315 CE LYS A 25 11.244 -6.678 -2.807 1.00 0.00 C ATOM 316 NZ LYS A 25 12.519 -6.094 -3.306 1.00 0.00 N ATOM 0 H LYS A 25 8.431 -6.089 -0.847 1.00 0.00 H new ATOM 0 HA LYS A 25 10.685 -4.397 -1.268 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.060 -4.980 -2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.584 -3.320 -2.709 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.433 -4.440 -4.602 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.819 -4.264 -3.545 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.156 -6.760 -3.302 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.215 -6.604 -4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.076 -6.358 -1.779 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.323 -7.765 -2.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.309 -6.724 -3.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.470 -5.986 -4.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.670 -5.163 -2.867 1.00 0.00 H new ATOM 330 N ALA A 26 8.050 -3.141 0.257 1.00 0.00 N ATOM 331 CA ALA A 26 7.581 -2.010 1.048 1.00 0.00 C ATOM 332 C ALA A 26 6.771 -2.479 2.252 1.00 0.00 C ATOM 333 O ALA A 26 6.558 -3.677 2.440 1.00 0.00 O ATOM 334 CB ALA A 26 6.750 -1.072 0.184 1.00 0.00 C ATOM 0 H ALA A 26 7.397 -3.923 0.210 1.00 0.00 H new ATOM 0 HA ALA A 26 8.453 -1.471 1.418 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.406 -0.232 0.787 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.359 -0.702 -0.641 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.889 -1.610 -0.213 1.00 0.00 H new ATOM 340 N GLU A 27 6.323 -1.528 3.064 1.00 0.00 N ATOM 341 CA GLU A 27 5.536 -1.844 4.251 1.00 0.00 C ATOM 342 C GLU A 27 4.491 -0.765 4.514 1.00 0.00 C ATOM 343 O GLU A 27 4.372 0.196 3.753 1.00 0.00 O ATOM 344 CB GLU A 27 6.450 -1.992 5.469 1.00 0.00 C ATOM 345 CG GLU A 27 7.167 -3.330 5.532 1.00 0.00 C ATOM 346 CD GLU A 27 7.869 -3.554 6.858 1.00 0.00 C ATOM 347 OE1 GLU A 27 7.172 -3.801 7.864 1.00 0.00 O ATOM 348 OE2 GLU A 27 9.116 -3.483 6.889 1.00 0.00 O ATOM 0 H GLU A 27 6.491 -0.532 2.922 1.00 0.00 H new ATOM 0 HA GLU A 27 5.021 -2.788 4.074 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.191 -1.192 5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.858 -1.863 6.375 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.447 -4.132 5.366 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.897 -3.385 4.725 1.00 0.00 H new ATOM 355 N VAL A 28 3.735 -0.931 5.594 1.00 0.00 N ATOM 356 CA VAL A 28 2.699 0.029 5.956 1.00 0.00 C ATOM 357 C VAL A 28 3.305 1.289 6.564 1.00 0.00 C ATOM 358 O VAL A 28 3.933 1.239 7.623 1.00 0.00 O ATOM 359 CB VAL A 28 1.694 -0.576 6.955 1.00 0.00 C ATOM 360 CG1 VAL A 28 0.517 0.363 7.166 1.00 0.00 C ATOM 361 CG2 VAL A 28 1.219 -1.939 6.474 1.00 0.00 C ATOM 0 H VAL A 28 3.820 -1.721 6.234 1.00 0.00 H new ATOM 0 HA VAL A 28 2.174 0.288 5.036 1.00 0.00 H new ATOM 0 HB VAL A 28 2.197 -0.709 7.913 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.181 -0.082 7.875 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.876 1.314 7.559 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.011 0.532 6.215 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.510 -2.351 7.192 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.733 -1.834 5.504 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.073 -2.610 6.381 1.00 0.00 H new ATOM 371 N GLY A 29 3.115 2.418 5.888 1.00 0.00 N ATOM 372 CA GLY A 29 3.649 3.674 6.377 1.00 0.00 C ATOM 373 C GLY A 29 4.918 4.084 5.656 1.00 0.00 C ATOM 374 O GLY A 29 5.831 4.644 6.263 1.00 0.00 O ATOM 0 H GLY A 29 2.600 2.484 5.010 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.898 4.455 6.258 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.853 3.588 7.444 1.00 0.00 H new ATOM 378 N ASP A 30 4.975 3.807 4.358 1.00 0.00 N ATOM 379 CA ASP A 30 6.141 4.150 3.552 1.00 0.00 C ATOM 380 C ASP A 30 5.727 4.555 2.141 1.00 0.00 C ATOM 381 O ASP A 30 4.701 4.103 1.631 1.00 0.00 O ATOM 382 CB ASP A 30 7.112 2.969 3.494 1.00 0.00 C ATOM 383 CG ASP A 30 8.562 3.412 3.534 1.00 0.00 C ATOM 384 OD1 ASP A 30 9.118 3.719 2.458 1.00 0.00 O ATOM 385 OD2 ASP A 30 9.141 3.452 4.640 1.00 0.00 O ATOM 0 H ASP A 30 4.227 3.345 3.841 1.00 0.00 H new ATOM 0 HA ASP A 30 6.640 4.998 4.021 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.916 2.299 4.331 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.934 2.400 2.582 1.00 0.00 H new ATOM 390 N GLN A 31 6.531 5.407 1.515 1.00 0.00 N ATOM 391 CA GLN A 31 6.248 5.872 0.163 1.00 0.00 C ATOM 392 C GLN A 31 6.487 4.762 -0.855 1.00 0.00 C ATOM 393 O GLN A 31 7.567 4.174 -0.904 1.00 0.00 O ATOM 394 CB GLN A 31 7.116 7.087 -0.174 1.00 0.00 C ATOM 395 CG GLN A 31 6.550 8.400 0.341 1.00 0.00 C ATOM 396 CD GLN A 31 6.736 8.569 1.837 1.00 0.00 C ATOM 397 OE1 GLN A 31 5.785 8.454 2.609 1.00 0.00 O ATOM 398 NE2 GLN A 31 7.967 8.844 2.251 1.00 0.00 N ATOM 0 H GLN A 31 7.384 5.790 1.923 1.00 0.00 H new ATOM 0 HA GLN A 31 5.198 6.162 0.117 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.111 6.940 0.246 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.233 7.151 -1.256 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.034 9.228 -0.177 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.488 8.452 0.103 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.725 8.930 1.574 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.155 8.969 3.246 1.00 0.00 H new ATOM 407 N VAL A 32 5.472 4.483 -1.666 1.00 0.00 N ATOM 408 CA VAL A 32 5.572 3.443 -2.685 1.00 0.00 C ATOM 409 C VAL A 32 5.190 3.981 -4.059 1.00 0.00 C ATOM 410 O VAL A 32 4.759 5.126 -4.192 1.00 0.00 O ATOM 411 CB VAL A 32 4.671 2.239 -2.349 1.00 0.00 C ATOM 412 CG1 VAL A 32 5.137 1.564 -1.067 1.00 0.00 C ATOM 413 CG2 VAL A 32 3.217 2.673 -2.236 1.00 0.00 C ATOM 0 H VAL A 32 4.572 4.961 -1.638 1.00 0.00 H new ATOM 0 HA VAL A 32 6.612 3.116 -2.702 1.00 0.00 H new ATOM 0 HB VAL A 32 4.746 1.515 -3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.489 0.716 -0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.162 1.214 -1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.095 2.277 -0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.597 1.809 -1.998 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.120 3.418 -1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.891 3.104 -3.183 1.00 0.00 H new ATOM 423 N LEU A 33 5.353 3.147 -5.081 1.00 0.00 N ATOM 424 CA LEU A 33 5.027 3.538 -6.448 1.00 0.00 C ATOM 425 C LEU A 33 4.431 2.365 -7.221 1.00 0.00 C ATOM 426 O LEU A 33 5.150 1.467 -7.658 1.00 0.00 O ATOM 427 CB LEU A 33 6.276 4.055 -7.163 1.00 0.00 C ATOM 428 CG LEU A 33 6.027 4.677 -8.538 1.00 0.00 C ATOM 429 CD1 LEU A 33 4.986 5.780 -8.443 1.00 0.00 C ATOM 430 CD2 LEU A 33 7.325 5.215 -9.122 1.00 0.00 C ATOM 0 H LEU A 33 5.709 2.196 -4.988 1.00 0.00 H new ATOM 0 HA LEU A 33 4.285 4.336 -6.406 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.758 4.798 -6.527 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.978 3.229 -7.277 1.00 0.00 H new ATOM 0 HG LEU A 33 5.646 3.902 -9.203 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.822 6.211 -9.431 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.050 5.366 -8.067 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.338 6.555 -7.763 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.129 5.654 -10.100 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.735 5.976 -8.458 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.042 4.401 -9.226 1.00 0.00 H new ATOM 442 N VAL A 34 3.112 2.380 -7.383 1.00 0.00 N ATOM 443 CA VAL A 34 2.418 1.316 -8.102 1.00 0.00 C ATOM 444 C VAL A 34 2.677 1.406 -9.602 1.00 0.00 C ATOM 445 O VAL A 34 2.502 2.460 -10.211 1.00 0.00 O ATOM 446 CB VAL A 34 0.899 1.368 -7.851 1.00 0.00 C ATOM 447 CG1 VAL A 34 0.219 0.141 -8.440 1.00 0.00 C ATOM 448 CG2 VAL A 34 0.607 1.486 -6.363 1.00 0.00 C ATOM 0 H VAL A 34 2.502 3.116 -7.027 1.00 0.00 H new ATOM 0 HA VAL A 34 2.810 0.371 -7.725 1.00 0.00 H new ATOM 0 HB VAL A 34 0.497 2.251 -8.347 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.854 0.195 -8.253 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.399 0.106 -9.514 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.624 -0.758 -7.975 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.471 1.521 -6.205 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.022 0.624 -5.841 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.061 2.398 -5.974 1.00 0.00 H new ATOM 458 N ALA A 35 3.095 0.289 -10.191 1.00 0.00 N ATOM 459 CA ALA A 35 3.378 0.238 -11.621 1.00 0.00 C ATOM 460 C ALA A 35 4.427 1.274 -12.016 1.00 0.00 C ATOM 461 O ALA A 35 4.475 1.712 -13.166 1.00 0.00 O ATOM 462 CB ALA A 35 2.099 0.449 -12.418 1.00 0.00 C ATOM 0 H ALA A 35 3.245 -0.592 -9.700 1.00 0.00 H new ATOM 0 HA ALA A 35 3.780 -0.749 -11.850 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.324 0.409 -13.484 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.382 -0.333 -12.169 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.674 1.423 -12.173 1.00 0.00 H new ATOM 468 N GLY A 36 5.263 1.663 -11.058 1.00 0.00 N ATOM 469 CA GLY A 36 6.297 2.644 -11.329 1.00 0.00 C ATOM 470 C GLY A 36 5.739 3.942 -11.880 1.00 0.00 C ATOM 471 O GLY A 36 6.397 4.625 -12.665 1.00 0.00 O ATOM 0 H GLY A 36 5.242 1.316 -10.099 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.847 2.850 -10.411 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.010 2.228 -12.041 1.00 0.00 H new ATOM 475 N GLN A 37 4.522 4.283 -11.468 1.00 0.00 N ATOM 476 CA GLN A 37 3.875 5.507 -11.927 1.00 0.00 C ATOM 477 C GLN A 37 2.999 6.104 -10.830 1.00 0.00 C ATOM 478 O GLN A 37 3.325 7.146 -10.260 1.00 0.00 O ATOM 479 CB GLN A 37 3.032 5.227 -13.172 1.00 0.00 C ATOM 480 CG GLN A 37 3.852 5.095 -14.446 1.00 0.00 C ATOM 481 CD GLN A 37 2.988 4.913 -15.679 1.00 0.00 C ATOM 482 OE1 GLN A 37 1.823 4.527 -15.583 1.00 0.00 O ATOM 483 NE2 GLN A 37 3.558 5.192 -16.846 1.00 0.00 N ATOM 0 H GLN A 37 3.964 3.729 -10.818 1.00 0.00 H new ATOM 0 HA GLN A 37 4.654 6.227 -12.178 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.465 4.309 -13.018 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.307 6.031 -13.298 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.471 5.983 -14.569 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.528 4.245 -14.352 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.527 5.509 -16.877 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.027 5.089 -17.711 1.00 0.00 H new ATOM 492 N LYS A 38 1.886 5.438 -10.541 1.00 0.00 N ATOM 493 CA LYS A 38 0.962 5.903 -9.512 1.00 0.00 C ATOM 494 C LYS A 38 1.641 5.939 -8.147 1.00 0.00 C ATOM 495 O LYS A 38 1.859 4.900 -7.523 1.00 0.00 O ATOM 496 CB LYS A 38 -0.269 4.999 -9.458 1.00 0.00 C ATOM 497 CG LYS A 38 -0.995 4.880 -10.789 1.00 0.00 C ATOM 498 CD LYS A 38 -2.498 4.757 -10.596 1.00 0.00 C ATOM 499 CE LYS A 38 -3.253 5.086 -11.873 1.00 0.00 C ATOM 500 NZ LYS A 38 -4.378 4.141 -12.112 1.00 0.00 N ATOM 0 H LYS A 38 1.602 4.575 -11.004 1.00 0.00 H new ATOM 0 HA LYS A 38 0.650 6.915 -9.769 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.034 4.005 -9.129 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.961 5.385 -8.709 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.776 5.754 -11.403 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.624 4.009 -11.330 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.743 3.744 -10.278 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.820 5.428 -9.799 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.640 6.103 -11.814 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.566 5.054 -12.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.715 4.243 -13.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.051 3.166 -11.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.155 4.353 -11.454 1.00 0.00 H new ATOM 514 N GLN A 39 1.971 7.142 -7.687 1.00 0.00 N ATOM 515 CA GLN A 39 2.624 7.314 -6.395 1.00 0.00 C ATOM 516 C GLN A 39 1.597 7.366 -5.269 1.00 0.00 C ATOM 517 O GLN A 39 0.602 8.087 -5.355 1.00 0.00 O ATOM 518 CB GLN A 39 3.471 8.590 -6.395 1.00 0.00 C ATOM 519 CG GLN A 39 4.950 8.338 -6.160 1.00 0.00 C ATOM 520 CD GLN A 39 5.580 9.371 -5.246 1.00 0.00 C ATOM 521 OE1 GLN A 39 5.122 9.586 -4.124 1.00 0.00 O ATOM 522 NE2 GLN A 39 6.636 10.019 -5.723 1.00 0.00 N ATOM 0 H GLN A 39 1.797 8.012 -8.190 1.00 0.00 H new ATOM 0 HA GLN A 39 3.275 6.456 -6.226 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.345 9.100 -7.350 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.099 9.263 -5.623 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.081 7.347 -5.727 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.471 8.339 -7.117 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.983 9.809 -6.659 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.100 10.726 -5.153 1.00 0.00 H new ATOM 531 N GLY A 40 1.843 6.597 -4.213 1.00 0.00 N ATOM 532 CA GLY A 40 0.930 6.572 -3.086 1.00 0.00 C ATOM 533 C GLY A 40 1.595 6.085 -1.813 1.00 0.00 C ATOM 534 O GLY A 40 2.815 5.934 -1.760 1.00 0.00 O ATOM 0 H GLY A 40 2.658 5.991 -4.118 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.530 7.573 -2.924 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.085 5.925 -3.321 1.00 0.00 H new ATOM 538 N ILE A 41 0.789 5.839 -0.785 1.00 0.00 N ATOM 539 CA ILE A 41 1.305 5.367 0.495 1.00 0.00 C ATOM 540 C ILE A 41 0.543 4.135 0.972 1.00 0.00 C ATOM 541 O ILE A 41 -0.688 4.129 1.006 1.00 0.00 O ATOM 542 CB ILE A 41 1.219 6.461 1.574 1.00 0.00 C ATOM 543 CG1 ILE A 41 1.801 7.775 1.049 1.00 0.00 C ATOM 544 CG2 ILE A 41 1.945 6.019 2.836 1.00 0.00 C ATOM 545 CD1 ILE A 41 1.695 8.920 2.032 1.00 0.00 C ATOM 0 H ILE A 41 -0.224 5.959 -0.813 1.00 0.00 H new ATOM 0 HA ILE A 41 2.352 5.106 0.338 1.00 0.00 H new ATOM 0 HB ILE A 41 0.170 6.625 1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.850 7.622 0.794 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.286 8.049 0.128 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.875 6.803 3.590 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.487 5.107 3.218 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.993 5.830 2.605 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.128 9.819 1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.646 9.100 2.269 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.235 8.667 2.945 1.00 0.00 H new ATOM 557 N VAL A 42 1.283 3.094 1.341 1.00 0.00 N ATOM 558 CA VAL A 42 0.678 1.856 1.817 1.00 0.00 C ATOM 559 C VAL A 42 -0.199 2.106 3.040 1.00 0.00 C ATOM 560 O VAL A 42 0.255 2.670 4.036 1.00 0.00 O ATOM 561 CB VAL A 42 1.749 0.809 2.174 1.00 0.00 C ATOM 562 CG1 VAL A 42 1.103 -0.536 2.474 1.00 0.00 C ATOM 563 CG2 VAL A 42 2.766 0.681 1.050 1.00 0.00 C ATOM 0 H VAL A 42 2.303 3.084 1.319 1.00 0.00 H new ATOM 0 HA VAL A 42 0.062 1.473 1.004 1.00 0.00 H new ATOM 0 HB VAL A 42 2.272 1.143 3.070 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.876 -1.263 2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.418 -0.431 3.315 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.552 -0.879 1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.515 -0.063 1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.260 0.372 0.135 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.252 1.643 0.888 1.00 0.00 H new ATOM 573 N ARG A 43 -1.456 1.684 2.957 1.00 0.00 N ATOM 574 CA ARG A 43 -2.396 1.863 4.057 1.00 0.00 C ATOM 575 C ARG A 43 -2.695 0.532 4.738 1.00 0.00 C ATOM 576 O ARG A 43 -2.951 0.482 5.941 1.00 0.00 O ATOM 577 CB ARG A 43 -3.696 2.491 3.549 1.00 0.00 C ATOM 578 CG ARG A 43 -3.540 3.937 3.107 1.00 0.00 C ATOM 579 CD ARG A 43 -3.102 4.827 4.258 1.00 0.00 C ATOM 580 NE ARG A 43 -3.103 6.241 3.887 1.00 0.00 N ATOM 581 CZ ARG A 43 -2.446 7.183 4.561 1.00 0.00 C ATOM 582 NH1 ARG A 43 -1.738 6.867 5.639 1.00 0.00 N ATOM 583 NH2 ARG A 43 -2.498 8.444 4.155 1.00 0.00 N ATOM 0 H ARG A 43 -1.847 1.216 2.140 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.939 2.531 4.787 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.071 1.902 2.712 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.447 2.440 4.337 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.808 3.995 2.302 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.486 4.300 2.705 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.767 4.675 5.108 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.102 4.537 4.580 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.637 6.522 3.065 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.695 5.898 5.955 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.237 7.593 6.151 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.041 8.691 3.328 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.995 9.167 4.670 1.00 0.00 H new ATOM 597 N PHE A 44 -2.661 -0.546 3.961 1.00 0.00 N ATOM 598 CA PHE A 44 -2.927 -1.879 4.490 1.00 0.00 C ATOM 599 C PHE A 44 -2.135 -2.935 3.728 1.00 0.00 C ATOM 600 O PHE A 44 -2.371 -3.168 2.542 1.00 0.00 O ATOM 601 CB PHE A 44 -4.423 -2.192 4.411 1.00 0.00 C ATOM 602 CG PHE A 44 -4.792 -3.510 5.029 1.00 0.00 C ATOM 603 CD1 PHE A 44 -4.649 -4.689 4.316 1.00 0.00 C ATOM 604 CD2 PHE A 44 -5.282 -3.570 6.325 1.00 0.00 C ATOM 605 CE1 PHE A 44 -4.988 -5.904 4.883 1.00 0.00 C ATOM 606 CE2 PHE A 44 -5.623 -4.781 6.896 1.00 0.00 C ATOM 607 CZ PHE A 44 -5.476 -5.950 6.175 1.00 0.00 C ATOM 0 H PHE A 44 -2.452 -0.522 2.963 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.613 -1.898 5.533 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.979 -1.398 4.909 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.732 -2.191 3.366 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.268 -4.659 3.306 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.398 -2.660 6.894 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.871 -6.816 4.316 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.004 -4.814 7.906 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.742 -6.898 6.620 1.00 0.00 H new ATOM 617 N TYR A 45 -1.192 -3.572 4.416 1.00 0.00 N ATOM 618 CA TYR A 45 -0.364 -4.605 3.804 1.00 0.00 C ATOM 619 C TYR A 45 -0.673 -5.974 4.401 1.00 0.00 C ATOM 620 O TYR A 45 -0.932 -6.097 5.598 1.00 0.00 O ATOM 621 CB TYR A 45 1.118 -4.275 3.993 1.00 0.00 C ATOM 622 CG TYR A 45 2.049 -5.280 3.350 1.00 0.00 C ATOM 623 CD1 TYR A 45 1.926 -5.607 2.005 1.00 0.00 C ATOM 624 CD2 TYR A 45 3.047 -5.902 4.088 1.00 0.00 C ATOM 625 CE1 TYR A 45 2.774 -6.524 1.414 1.00 0.00 C ATOM 626 CE2 TYR A 45 3.899 -6.820 3.504 1.00 0.00 C ATOM 627 CZ TYR A 45 3.758 -7.128 2.168 1.00 0.00 C ATOM 628 OH TYR A 45 4.604 -8.042 1.583 1.00 0.00 O ATOM 0 H TYR A 45 -0.983 -3.391 5.398 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.590 -4.635 2.738 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.318 -3.288 3.576 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.336 -4.220 5.059 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.155 -5.137 1.412 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.159 -5.665 5.136 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.667 -6.766 0.367 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.672 -7.294 4.092 1.00 0.00 H new ATOM 0 HH TYR A 45 5.240 -8.373 2.251 1.00 0.00 H new ATOM 638 N GLY A 46 -0.643 -7.001 3.558 1.00 0.00 N ATOM 639 CA GLY A 46 -0.922 -8.348 4.020 1.00 0.00 C ATOM 640 C GLY A 46 -1.567 -9.206 2.950 1.00 0.00 C ATOM 641 O GLY A 46 -1.617 -8.821 1.782 1.00 0.00 O ATOM 0 H GLY A 46 -0.430 -6.924 2.563 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.007 -8.817 4.346 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.578 -8.302 4.889 1.00 0.00 H new ATOM 645 N LYS A 47 -2.061 -10.374 3.349 1.00 0.00 N ATOM 646 CA LYS A 47 -2.706 -11.290 2.415 1.00 0.00 C ATOM 647 C LYS A 47 -4.190 -10.970 2.278 1.00 0.00 C ATOM 648 O LYS A 47 -4.854 -10.625 3.255 1.00 0.00 O ATOM 649 CB LYS A 47 -2.523 -12.736 2.880 1.00 0.00 C ATOM 650 CG LYS A 47 -1.075 -13.194 2.894 1.00 0.00 C ATOM 651 CD LYS A 47 -0.960 -14.686 2.627 1.00 0.00 C ATOM 652 CE LYS A 47 0.475 -15.092 2.336 1.00 0.00 C ATOM 653 NZ LYS A 47 0.816 -14.934 0.895 1.00 0.00 N ATOM 0 H LYS A 47 -2.027 -10.708 4.312 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.236 -11.168 1.439 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.938 -12.841 3.882 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.097 -13.394 2.227 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.511 -12.644 2.141 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.628 -12.961 3.860 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.328 -15.240 3.490 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.594 -14.955 1.782 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.153 -14.486 2.938 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.626 -16.130 2.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.962 -15.871 0.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.038 -14.448 0.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.687 -14.372 0.804 1.00 0.00 H new ATOM 667 N THR A 48 -4.704 -11.087 1.058 1.00 0.00 N ATOM 668 CA THR A 48 -6.112 -10.810 0.793 1.00 0.00 C ATOM 669 C THR A 48 -6.905 -12.106 0.663 1.00 0.00 C ATOM 670 O THR A 48 -6.363 -13.197 0.833 1.00 0.00 O ATOM 671 CB THR A 48 -6.257 -9.980 -0.484 1.00 0.00 C ATOM 672 OG1 THR A 48 -5.658 -10.640 -1.583 1.00 0.00 O ATOM 673 CG2 THR A 48 -5.630 -8.606 -0.377 1.00 0.00 C ATOM 0 H THR A 48 -4.168 -11.371 0.238 1.00 0.00 H new ATOM 0 HA THR A 48 -6.511 -10.243 1.634 1.00 0.00 H new ATOM 0 HB THR A 48 -7.331 -9.863 -0.632 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.853 -10.146 -2.407 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.768 -8.069 -1.316 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.106 -8.051 0.432 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.565 -8.707 -0.170 1.00 0.00 H new ATOM 681 N ASP A 49 -8.194 -11.977 0.361 1.00 0.00 N ATOM 682 CA ASP A 49 -9.063 -13.139 0.209 1.00 0.00 C ATOM 683 C ASP A 49 -9.525 -13.299 -1.238 1.00 0.00 C ATOM 684 O ASP A 49 -10.476 -14.030 -1.516 1.00 0.00 O ATOM 685 CB ASP A 49 -10.278 -13.013 1.130 1.00 0.00 C ATOM 686 CG ASP A 49 -10.742 -14.354 1.662 1.00 0.00 C ATOM 687 OD1 ASP A 49 -9.973 -14.994 2.411 1.00 0.00 O ATOM 688 OD2 ASP A 49 -11.873 -14.766 1.330 1.00 0.00 O ATOM 0 H ASP A 49 -8.659 -11.081 0.217 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.490 -14.024 0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.030 -12.360 1.966 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.095 -12.539 0.586 1.00 0.00 H new ATOM 693 N PHE A 50 -8.849 -12.616 -2.158 1.00 0.00 N ATOM 694 CA PHE A 50 -9.196 -12.692 -3.573 1.00 0.00 C ATOM 695 C PHE A 50 -8.057 -13.303 -4.383 1.00 0.00 C ATOM 696 O PHE A 50 -8.291 -14.047 -5.335 1.00 0.00 O ATOM 697 CB PHE A 50 -9.534 -11.300 -4.113 1.00 0.00 C ATOM 698 CG PHE A 50 -8.425 -10.302 -3.943 1.00 0.00 C ATOM 699 CD1 PHE A 50 -7.339 -10.300 -4.803 1.00 0.00 C ATOM 700 CD2 PHE A 50 -8.470 -9.365 -2.923 1.00 0.00 C ATOM 701 CE1 PHE A 50 -6.318 -9.381 -4.649 1.00 0.00 C ATOM 702 CE2 PHE A 50 -7.452 -8.444 -2.764 1.00 0.00 C ATOM 703 CZ PHE A 50 -6.374 -8.453 -3.629 1.00 0.00 C ATOM 0 H PHE A 50 -8.059 -12.005 -1.949 1.00 0.00 H new ATOM 0 HA PHE A 50 -10.071 -13.334 -3.672 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.780 -11.380 -5.172 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.425 -10.930 -3.606 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -7.290 -11.024 -5.603 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -9.310 -9.354 -2.245 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.477 -9.389 -5.326 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.499 -7.719 -1.965 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.577 -7.735 -3.507 1.00 0.00 H new ATOM 713 N ALA A 51 -6.826 -12.984 -3.999 1.00 0.00 N ATOM 714 CA ALA A 51 -5.653 -13.504 -4.690 1.00 0.00 C ATOM 715 C ALA A 51 -4.549 -13.870 -3.701 1.00 0.00 C ATOM 716 O ALA A 51 -4.397 -13.226 -2.663 1.00 0.00 O ATOM 717 CB ALA A 51 -5.142 -12.486 -5.700 1.00 0.00 C ATOM 0 H ALA A 51 -6.615 -12.368 -3.214 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.946 -14.411 -5.219 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.266 -12.887 -6.209 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.922 -12.276 -6.432 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.872 -11.565 -5.183 1.00 0.00 H new ATOM 723 N PRO A 52 -3.760 -14.915 -4.010 1.00 0.00 N ATOM 724 CA PRO A 52 -2.668 -15.362 -3.140 1.00 0.00 C ATOM 725 C PRO A 52 -1.484 -14.402 -3.156 1.00 0.00 C ATOM 726 O PRO A 52 -1.433 -13.476 -3.967 1.00 0.00 O ATOM 727 CB PRO A 52 -2.272 -16.712 -3.739 1.00 0.00 C ATOM 728 CG PRO A 52 -2.645 -16.609 -5.177 1.00 0.00 C ATOM 729 CD PRO A 52 -3.872 -15.741 -5.228 1.00 0.00 C ATOM 0 HA PRO A 52 -2.973 -15.416 -2.095 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.205 -16.901 -3.619 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.798 -17.532 -3.251 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.834 -16.172 -5.760 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.846 -17.594 -5.599 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.893 -15.127 -6.129 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -4.785 -16.336 -5.227 1.00 0.00 H new ATOM 737 N GLY A 53 -0.532 -14.628 -2.257 1.00 0.00 N ATOM 738 CA GLY A 53 0.640 -13.775 -2.186 1.00 0.00 C ATOM 739 C GLY A 53 0.453 -12.609 -1.235 1.00 0.00 C ATOM 740 O GLY A 53 -0.340 -12.686 -0.297 1.00 0.00 O ATOM 0 H GLY A 53 -0.551 -15.387 -1.576 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.497 -14.367 -1.866 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.869 -13.395 -3.181 1.00 0.00 H new ATOM 744 N TYR A 54 1.185 -11.527 -1.478 1.00 0.00 N ATOM 745 CA TYR A 54 1.096 -10.338 -0.636 1.00 0.00 C ATOM 746 C TYR A 54 0.780 -9.103 -1.472 1.00 0.00 C ATOM 747 O TYR A 54 1.493 -8.785 -2.423 1.00 0.00 O ATOM 748 CB TYR A 54 2.406 -10.130 0.126 1.00 0.00 C ATOM 749 CG TYR A 54 2.576 -11.063 1.305 1.00 0.00 C ATOM 750 CD1 TYR A 54 3.094 -12.341 1.136 1.00 0.00 C ATOM 751 CD2 TYR A 54 2.218 -10.664 2.587 1.00 0.00 C ATOM 752 CE1 TYR A 54 3.250 -13.196 2.210 1.00 0.00 C ATOM 753 CE2 TYR A 54 2.373 -11.513 3.667 1.00 0.00 C ATOM 754 CZ TYR A 54 2.888 -12.777 3.473 1.00 0.00 C ATOM 755 OH TYR A 54 3.043 -13.625 4.545 1.00 0.00 O ATOM 0 H TYR A 54 1.846 -11.448 -2.251 1.00 0.00 H new ATOM 0 HA TYR A 54 0.287 -10.488 0.079 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.242 -10.269 -0.560 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.452 -9.100 0.479 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.380 -12.672 0.148 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.812 -9.675 2.742 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.653 -14.187 2.061 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.092 -11.188 4.658 1.00 0.00 H new ATOM 0 HH TYR A 54 2.742 -13.177 5.363 1.00 0.00 H new ATOM 765 N TRP A 55 -0.295 -8.409 -1.110 1.00 0.00 N ATOM 766 CA TRP A 55 -0.706 -7.207 -1.826 1.00 0.00 C ATOM 767 C TRP A 55 -0.601 -5.977 -0.931 1.00 0.00 C ATOM 768 O TRP A 55 -0.535 -6.092 0.293 1.00 0.00 O ATOM 769 CB TRP A 55 -2.140 -7.359 -2.339 1.00 0.00 C ATOM 770 CG TRP A 55 -2.313 -8.505 -3.288 1.00 0.00 C ATOM 771 CD1 TRP A 55 -2.407 -9.829 -2.965 1.00 0.00 C ATOM 772 CD2 TRP A 55 -2.410 -8.432 -4.715 1.00 0.00 C ATOM 773 NE1 TRP A 55 -2.557 -10.582 -4.104 1.00 0.00 N ATOM 774 CE2 TRP A 55 -2.562 -9.748 -5.192 1.00 0.00 C ATOM 775 CE3 TRP A 55 -2.383 -7.380 -5.636 1.00 0.00 C ATOM 776 CZ2 TRP A 55 -2.687 -10.038 -6.548 1.00 0.00 C ATOM 777 CZ3 TRP A 55 -2.507 -7.670 -6.982 1.00 0.00 C ATOM 778 CH2 TRP A 55 -2.658 -8.990 -7.427 1.00 0.00 C ATOM 0 H TRP A 55 -0.897 -8.659 -0.325 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.036 -7.073 -2.675 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.809 -7.496 -1.490 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.440 -6.437 -2.836 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -2.369 -10.226 -1.961 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -2.650 -11.597 -4.135 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.267 -6.360 -5.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -2.803 -11.055 -6.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.487 -6.866 -7.703 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.753 -9.184 -8.485 1.00 0.00 H new ATOM 789 N TYR A 56 -0.582 -4.800 -1.550 1.00 0.00 N ATOM 790 CA TYR A 56 -0.482 -3.548 -0.808 1.00 0.00 C ATOM 791 C TYR A 56 -1.720 -2.684 -1.028 1.00 0.00 C ATOM 792 O TYR A 56 -2.032 -2.304 -2.156 1.00 0.00 O ATOM 793 CB TYR A 56 0.771 -2.780 -1.233 1.00 0.00 C ATOM 794 CG TYR A 56 2.057 -3.539 -0.993 1.00 0.00 C ATOM 795 CD1 TYR A 56 2.362 -4.677 -1.729 1.00 0.00 C ATOM 796 CD2 TYR A 56 2.966 -3.116 -0.031 1.00 0.00 C ATOM 797 CE1 TYR A 56 3.536 -5.373 -1.513 1.00 0.00 C ATOM 798 CE2 TYR A 56 4.143 -3.808 0.191 1.00 0.00 C ATOM 799 CZ TYR A 56 4.423 -4.934 -0.553 1.00 0.00 C ATOM 800 OH TYR A 56 5.593 -5.624 -0.334 1.00 0.00 O ATOM 0 H TYR A 56 -0.634 -4.687 -2.562 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.412 -3.788 0.253 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.695 -2.536 -2.293 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.810 -1.836 -0.690 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.670 -5.023 -2.482 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.750 -2.233 0.552 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.758 -6.256 -2.093 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.839 -3.468 0.943 1.00 0.00 H new ATOM 0 HH TYR A 56 5.433 -6.342 0.314 1.00 0.00 H new ATOM 810 N GLY A 57 -2.421 -2.378 0.060 1.00 0.00 N ATOM 811 CA GLY A 57 -3.617 -1.561 -0.035 1.00 0.00 C ATOM 812 C GLY A 57 -3.305 -0.077 -0.027 1.00 0.00 C ATOM 813 O GLY A 57 -3.700 0.643 0.890 1.00 0.00 O ATOM 0 H GLY A 57 -2.182 -2.681 1.004 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.153 -1.812 -0.950 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.280 -1.795 0.798 1.00 0.00 H new ATOM 817 N ILE A 58 -2.592 0.381 -1.053 1.00 0.00 N ATOM 818 CA ILE A 58 -2.226 1.788 -1.161 1.00 0.00 C ATOM 819 C ILE A 58 -3.445 2.651 -1.465 1.00 0.00 C ATOM 820 O ILE A 58 -4.369 2.217 -2.153 1.00 0.00 O ATOM 821 CB ILE A 58 -1.166 2.010 -2.258 1.00 0.00 C ATOM 822 CG1 ILE A 58 -0.001 1.033 -2.081 1.00 0.00 C ATOM 823 CG2 ILE A 58 -0.669 3.448 -2.232 1.00 0.00 C ATOM 824 CD1 ILE A 58 0.403 0.337 -3.362 1.00 0.00 C ATOM 0 H ILE A 58 -2.257 -0.202 -1.820 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.808 2.081 -0.198 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.626 1.823 -3.228 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.858 1.573 -1.684 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.276 0.282 -1.340 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.079 3.589 -3.012 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.505 4.125 -2.405 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.224 3.662 -1.260 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.234 -0.340 -3.162 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.443 -0.231 -3.750 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.710 1.080 -4.099 1.00 0.00 H new ATOM 836 N GLU A 59 -3.441 3.875 -0.947 1.00 0.00 N ATOM 837 CA GLU A 59 -4.547 4.801 -1.162 1.00 0.00 C ATOM 838 C GLU A 59 -4.082 6.032 -1.934 1.00 0.00 C ATOM 839 O GLU A 59 -3.344 6.865 -1.408 1.00 0.00 O ATOM 840 CB GLU A 59 -5.154 5.223 0.176 1.00 0.00 C ATOM 841 CG GLU A 59 -6.370 6.124 0.036 1.00 0.00 C ATOM 842 CD GLU A 59 -6.108 7.539 0.515 1.00 0.00 C ATOM 843 OE1 GLU A 59 -5.268 7.712 1.423 1.00 0.00 O ATOM 844 OE2 GLU A 59 -6.742 8.473 -0.018 1.00 0.00 O ATOM 0 H GLU A 59 -2.684 4.249 -0.375 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.308 4.289 -1.752 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.436 4.331 0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.395 5.740 0.763 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.680 6.150 -1.009 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.198 5.700 0.604 1.00 0.00 H new ATOM 851 N LEU A 60 -4.521 6.141 -3.184 1.00 0.00 N ATOM 852 CA LEU A 60 -4.151 7.271 -4.028 1.00 0.00 C ATOM 853 C LEU A 60 -4.688 8.578 -3.454 1.00 0.00 C ATOM 854 O LEU A 60 -5.447 8.575 -2.484 1.00 0.00 O ATOM 855 CB LEU A 60 -4.680 7.068 -5.449 1.00 0.00 C ATOM 856 CG LEU A 60 -4.084 5.875 -6.198 1.00 0.00 C ATOM 857 CD1 LEU A 60 -4.773 5.689 -7.540 1.00 0.00 C ATOM 858 CD2 LEU A 60 -2.585 6.062 -6.387 1.00 0.00 C ATOM 0 H LEU A 60 -5.133 5.461 -3.634 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.063 7.329 -4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.762 6.945 -5.403 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.486 7.973 -6.025 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.247 4.977 -5.603 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.336 4.836 -8.058 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.837 5.511 -7.381 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.642 6.587 -8.144 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.176 5.205 -6.922 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.401 6.970 -6.962 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.103 6.146 -5.413 1.00 0.00 H new ATOM 870 N ASP A 61 -4.290 9.693 -4.057 1.00 0.00 N ATOM 871 CA ASP A 61 -4.732 11.006 -3.604 1.00 0.00 C ATOM 872 C ASP A 61 -5.892 11.514 -4.455 1.00 0.00 C ATOM 873 O ASP A 61 -6.770 12.224 -3.966 1.00 0.00 O ATOM 874 CB ASP A 61 -3.572 12.002 -3.654 1.00 0.00 C ATOM 875 CG ASP A 61 -2.873 12.142 -2.315 1.00 0.00 C ATOM 876 OD1 ASP A 61 -2.023 11.284 -1.997 1.00 0.00 O ATOM 877 OD2 ASP A 61 -3.177 13.108 -1.585 1.00 0.00 O ATOM 0 H ASP A 61 -3.662 9.713 -4.861 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.076 10.911 -2.574 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.851 11.679 -4.405 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.946 12.976 -3.969 1.00 0.00 H new ATOM 882 N GLN A 62 -5.888 11.146 -5.733 1.00 0.00 N ATOM 883 CA GLN A 62 -6.939 11.564 -6.652 1.00 0.00 C ATOM 884 C GLN A 62 -7.692 10.356 -7.206 1.00 0.00 C ATOM 885 O GLN A 62 -7.133 9.266 -7.322 1.00 0.00 O ATOM 886 CB GLN A 62 -6.344 12.379 -7.803 1.00 0.00 C ATOM 887 CG GLN A 62 -5.377 13.460 -7.347 1.00 0.00 C ATOM 888 CD GLN A 62 -5.949 14.856 -7.499 1.00 0.00 C ATOM 889 OE1 GLN A 62 -7.117 15.098 -7.194 1.00 0.00 O ATOM 890 NE2 GLN A 62 -5.126 15.784 -7.975 1.00 0.00 N ATOM 0 H GLN A 62 -5.168 10.559 -6.155 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.643 12.186 -6.100 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.826 11.705 -8.485 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.154 12.842 -8.366 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.115 13.291 -6.303 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.455 13.384 -7.924 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.165 15.539 -8.215 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.455 16.741 -8.100 1.00 0.00 H new ATOM 899 N PRO A 63 -8.978 10.536 -7.556 1.00 0.00 N ATOM 900 CA PRO A 63 -9.806 9.453 -8.099 1.00 0.00 C ATOM 901 C PRO A 63 -9.171 8.796 -9.319 1.00 0.00 C ATOM 902 O PRO A 63 -9.250 9.318 -10.431 1.00 0.00 O ATOM 903 CB PRO A 63 -11.108 10.159 -8.492 1.00 0.00 C ATOM 904 CG PRO A 63 -11.153 11.379 -7.639 1.00 0.00 C ATOM 905 CD PRO A 63 -9.724 11.803 -7.449 1.00 0.00 C ATOM 0 HA PRO A 63 -9.944 8.647 -7.378 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.114 10.417 -9.551 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -11.973 9.520 -8.314 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -11.734 12.168 -8.116 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.628 11.168 -6.681 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.412 12.519 -8.209 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -9.571 12.280 -6.481 1.00 0.00 H new ATOM 913 N THR A 64 -8.540 7.646 -9.104 1.00 0.00 N ATOM 914 CA THR A 64 -7.890 6.915 -10.187 1.00 0.00 C ATOM 915 C THR A 64 -7.309 5.599 -9.682 1.00 0.00 C ATOM 916 O THR A 64 -6.223 5.190 -10.092 1.00 0.00 O ATOM 917 CB THR A 64 -6.787 7.768 -10.816 1.00 0.00 C ATOM 918 OG1 THR A 64 -6.162 7.073 -11.880 1.00 0.00 O ATOM 919 CG2 THR A 64 -5.707 8.168 -9.833 1.00 0.00 C ATOM 0 H THR A 64 -8.465 7.200 -8.190 1.00 0.00 H new ATOM 0 HA THR A 64 -8.641 6.692 -10.944 1.00 0.00 H new ATOM 0 HB THR A 64 -7.286 8.670 -11.171 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.996 6.145 -11.612 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.956 8.771 -10.343 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.149 8.748 -9.023 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.237 7.273 -9.424 1.00 0.00 H new ATOM 927 N GLY A 65 -8.040 4.938 -8.790 1.00 0.00 N ATOM 928 CA GLY A 65 -7.580 3.675 -8.245 1.00 0.00 C ATOM 929 C GLY A 65 -8.159 2.482 -8.979 1.00 0.00 C ATOM 930 O GLY A 65 -8.035 2.375 -10.199 1.00 0.00 O ATOM 0 H GLY A 65 -8.942 5.255 -8.435 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.492 3.636 -8.296 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.852 3.617 -7.191 1.00 0.00 H new ATOM 934 N LYS A 66 -8.792 1.581 -8.234 1.00 0.00 N ATOM 935 CA LYS A 66 -9.390 0.388 -8.820 1.00 0.00 C ATOM 936 C LYS A 66 -10.684 0.020 -8.100 1.00 0.00 C ATOM 937 O LYS A 66 -11.706 -0.242 -8.734 1.00 0.00 O ATOM 938 CB LYS A 66 -8.407 -0.783 -8.763 1.00 0.00 C ATOM 939 CG LYS A 66 -8.300 -1.552 -10.070 1.00 0.00 C ATOM 940 CD LYS A 66 -6.946 -2.229 -10.207 1.00 0.00 C ATOM 941 CE LYS A 66 -6.892 -3.530 -9.423 1.00 0.00 C ATOM 942 NZ LYS A 66 -5.569 -3.729 -8.768 1.00 0.00 N ATOM 0 H LYS A 66 -8.904 1.655 -7.223 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.624 0.603 -9.863 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.421 -0.406 -8.491 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -8.716 -1.467 -7.973 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.090 -2.302 -10.118 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.455 -0.872 -10.908 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.742 -2.428 -11.259 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.164 -1.557 -9.853 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.676 -3.530 -8.666 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.095 -4.366 -10.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.573 -4.627 -8.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.823 -3.754 -9.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.386 -2.945 -8.110 1.00 0.00 H new ATOM 956 N HIS A 67 -10.632 0.003 -6.772 1.00 0.00 N ATOM 957 CA HIS A 67 -11.798 -0.332 -5.963 1.00 0.00 C ATOM 958 C HIS A 67 -12.128 0.796 -4.992 1.00 0.00 C ATOM 959 O HIS A 67 -11.420 1.801 -4.927 1.00 0.00 O ATOM 960 CB HIS A 67 -11.553 -1.630 -5.192 1.00 0.00 C ATOM 961 CG HIS A 67 -10.222 -1.677 -4.508 1.00 0.00 C ATOM 962 ND1 HIS A 67 -10.051 -1.547 -3.149 1.00 0.00 N ATOM 963 CD2 HIS A 67 -8.979 -1.848 -5.027 1.00 0.00 C ATOM 964 CE1 HIS A 67 -8.740 -1.639 -2.887 1.00 0.00 C ATOM 965 NE2 HIS A 67 -8.046 -1.822 -3.994 1.00 0.00 N ATOM 0 H HIS A 67 -9.793 0.218 -6.233 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.647 -0.470 -6.633 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -12.340 -1.755 -4.448 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.629 -2.472 -5.880 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.751 -1.983 -6.074 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.308 -1.572 -1.899 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -7.034 -1.924 -4.076 1.00 0.00 H new ATOM 973 N ASP A 68 -13.209 0.622 -4.237 1.00 0.00 N ATOM 974 CA ASP A 68 -13.633 1.626 -3.269 1.00 0.00 C ATOM 975 C ASP A 68 -13.199 1.239 -1.858 1.00 0.00 C ATOM 976 O ASP A 68 -13.909 1.498 -0.886 1.00 0.00 O ATOM 977 CB ASP A 68 -15.152 1.804 -3.319 1.00 0.00 C ATOM 978 CG ASP A 68 -15.561 3.264 -3.350 1.00 0.00 C ATOM 979 OD1 ASP A 68 -15.580 3.852 -4.452 1.00 0.00 O ATOM 980 OD2 ASP A 68 -15.864 3.819 -2.273 1.00 0.00 O ATOM 0 H ASP A 68 -13.806 -0.204 -4.277 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.156 2.571 -3.530 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.545 1.300 -4.202 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.601 1.322 -2.450 1.00 0.00 H new ATOM 985 N GLY A 69 -12.029 0.617 -1.753 1.00 0.00 N ATOM 986 CA GLY A 69 -11.521 0.206 -0.458 1.00 0.00 C ATOM 987 C GLY A 69 -11.733 -1.272 -0.195 1.00 0.00 C ATOM 988 O GLY A 69 -10.779 -2.050 -0.177 1.00 0.00 O ATOM 0 H GLY A 69 -11.424 0.390 -2.542 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.457 0.433 -0.400 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.014 0.785 0.323 1.00 0.00 H new ATOM 992 N SER A 70 -12.987 -1.661 0.008 1.00 0.00 N ATOM 993 CA SER A 70 -13.322 -3.056 0.271 1.00 0.00 C ATOM 994 C SER A 70 -13.402 -3.850 -1.029 1.00 0.00 C ATOM 995 O SER A 70 -13.761 -3.312 -2.076 1.00 0.00 O ATOM 996 CB SER A 70 -14.650 -3.152 1.023 1.00 0.00 C ATOM 997 OG SER A 70 -15.702 -2.561 0.278 1.00 0.00 O ATOM 0 H SER A 70 -13.788 -1.030 -0.004 1.00 0.00 H new ATOM 0 HA SER A 70 -12.532 -3.482 0.889 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.884 -4.198 1.222 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.561 -2.656 1.989 1.00 0.00 H new ATOM 0 HG SER A 70 -16.541 -2.637 0.779 1.00 0.00 H new ATOM 1003 N VAL A 71 -13.063 -5.133 -0.954 1.00 0.00 N ATOM 1004 CA VAL A 71 -13.098 -6.001 -2.124 1.00 0.00 C ATOM 1005 C VAL A 71 -13.907 -7.264 -1.847 1.00 0.00 C ATOM 1006 O VAL A 71 -13.644 -7.983 -0.883 1.00 0.00 O ATOM 1007 CB VAL A 71 -11.678 -6.402 -2.570 1.00 0.00 C ATOM 1008 CG1 VAL A 71 -11.725 -7.175 -3.880 1.00 0.00 C ATOM 1009 CG2 VAL A 71 -10.791 -5.173 -2.701 1.00 0.00 C ATOM 0 H VAL A 71 -12.761 -5.594 -0.095 1.00 0.00 H new ATOM 0 HA VAL A 71 -13.575 -5.434 -2.924 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.250 -7.052 -1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -10.713 -7.449 -4.177 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.321 -8.078 -3.748 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.175 -6.553 -4.654 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.793 -5.477 -3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.215 -4.495 -3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.728 -4.665 -1.739 1.00 0.00 H new ATOM 1019 N PHE A 72 -14.893 -7.527 -2.699 1.00 0.00 N ATOM 1020 CA PHE A 72 -15.743 -8.703 -2.546 1.00 0.00 C ATOM 1021 C PHE A 72 -16.476 -8.677 -1.209 1.00 0.00 C ATOM 1022 O PHE A 72 -16.813 -9.722 -0.656 1.00 0.00 O ATOM 1023 CB PHE A 72 -14.906 -9.979 -2.658 1.00 0.00 C ATOM 1024 CG PHE A 72 -14.423 -10.262 -4.051 1.00 0.00 C ATOM 1025 CD1 PHE A 72 -15.325 -10.483 -5.080 1.00 0.00 C ATOM 1026 CD2 PHE A 72 -13.067 -10.307 -4.333 1.00 0.00 C ATOM 1027 CE1 PHE A 72 -14.884 -10.743 -6.363 1.00 0.00 C ATOM 1028 CE2 PHE A 72 -12.620 -10.568 -5.614 1.00 0.00 C ATOM 1029 CZ PHE A 72 -13.529 -10.786 -6.630 1.00 0.00 C ATOM 0 H PHE A 72 -15.123 -6.942 -3.502 1.00 0.00 H new ATOM 0 HA PHE A 72 -16.485 -8.691 -3.345 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -14.046 -9.898 -1.994 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -15.499 -10.824 -2.310 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -16.385 -10.452 -4.876 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -12.351 -10.136 -3.542 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -15.597 -10.912 -7.156 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -11.560 -10.601 -5.820 1.00 0.00 H new ATOM 0 HZ PHE A 72 -13.181 -10.990 -7.632 1.00 0.00 H new ATOM 1039 N GLY A 73 -16.721 -7.474 -0.696 1.00 0.00 N ATOM 1040 CA GLY A 73 -17.414 -7.338 0.572 1.00 0.00 C ATOM 1041 C GLY A 73 -16.461 -7.176 1.741 1.00 0.00 C ATOM 1042 O GLY A 73 -16.794 -6.530 2.735 1.00 0.00 O ATOM 0 H GLY A 73 -16.452 -6.593 -1.135 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -18.079 -6.476 0.528 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -18.040 -8.215 0.736 1.00 0.00 H new ATOM 1046 N VAL A 74 -15.275 -7.763 1.622 1.00 0.00 N ATOM 1047 CA VAL A 74 -14.273 -7.681 2.678 1.00 0.00 C ATOM 1048 C VAL A 74 -13.525 -6.354 2.622 1.00 0.00 C ATOM 1049 O VAL A 74 -12.929 -6.009 1.601 1.00 0.00 O ATOM 1050 CB VAL A 74 -13.258 -8.835 2.580 1.00 0.00 C ATOM 1051 CG1 VAL A 74 -12.345 -8.848 3.796 1.00 0.00 C ATOM 1052 CG2 VAL A 74 -13.976 -10.167 2.430 1.00 0.00 C ATOM 0 H VAL A 74 -14.984 -8.300 0.805 1.00 0.00 H new ATOM 0 HA VAL A 74 -14.805 -7.756 3.626 1.00 0.00 H new ATOM 0 HB VAL A 74 -12.643 -8.678 1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.635 -9.670 3.709 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.803 -7.904 3.854 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -12.942 -8.979 4.698 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -13.242 -10.970 2.362 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -14.618 -10.334 3.295 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -14.583 -10.153 1.525 1.00 0.00 H new ATOM 1062 N ARG A 75 -13.560 -5.613 3.725 1.00 0.00 N ATOM 1063 CA ARG A 75 -12.885 -4.323 3.801 1.00 0.00 C ATOM 1064 C ARG A 75 -11.444 -4.489 4.276 1.00 0.00 C ATOM 1065 O ARG A 75 -11.145 -5.367 5.085 1.00 0.00 O ATOM 1066 CB ARG A 75 -13.640 -3.385 4.744 1.00 0.00 C ATOM 1067 CG ARG A 75 -13.109 -1.962 4.738 1.00 0.00 C ATOM 1068 CD ARG A 75 -14.163 -0.973 5.207 1.00 0.00 C ATOM 1069 NE ARG A 75 -15.256 -0.840 4.248 1.00 0.00 N ATOM 1070 CZ ARG A 75 -16.107 0.182 4.229 1.00 0.00 C ATOM 1071 NH1 ARG A 75 -15.995 1.164 5.115 1.00 0.00 N ATOM 1072 NH2 ARG A 75 -17.073 0.225 3.322 1.00 0.00 N ATOM 0 H ARG A 75 -14.049 -5.884 4.578 1.00 0.00 H new ATOM 0 HA ARG A 75 -12.871 -3.889 2.801 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.693 -3.372 4.464 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.584 -3.781 5.758 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.234 -1.896 5.384 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.783 -1.698 3.732 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.562 -1.297 6.168 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.700 0.001 5.366 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.374 -1.575 3.551 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.254 1.137 5.815 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.650 1.945 5.096 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.164 -0.526 2.638 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.725 1.009 3.308 1.00 0.00 H new ATOM 1086 N TYR A 76 -10.558 -3.640 3.768 1.00 0.00 N ATOM 1087 CA TYR A 76 -9.149 -3.692 4.139 1.00 0.00 C ATOM 1088 C TYR A 76 -8.710 -2.386 4.792 1.00 0.00 C ATOM 1089 O TYR A 76 -8.067 -2.389 5.841 1.00 0.00 O ATOM 1090 CB TYR A 76 -8.285 -3.975 2.909 1.00 0.00 C ATOM 1091 CG TYR A 76 -8.659 -5.251 2.188 1.00 0.00 C ATOM 1092 CD1 TYR A 76 -9.787 -5.309 1.379 1.00 0.00 C ATOM 1093 CD2 TYR A 76 -7.882 -6.396 2.314 1.00 0.00 C ATOM 1094 CE1 TYR A 76 -10.133 -6.473 0.719 1.00 0.00 C ATOM 1095 CE2 TYR A 76 -8.221 -7.563 1.657 1.00 0.00 C ATOM 1096 CZ TYR A 76 -9.346 -7.597 0.860 1.00 0.00 C ATOM 1097 OH TYR A 76 -9.686 -8.758 0.204 1.00 0.00 O ATOM 0 H TYR A 76 -10.791 -2.907 3.098 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.019 -4.500 4.859 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.369 -3.138 2.216 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.240 -4.033 3.214 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -10.404 -4.430 1.264 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.999 -6.373 2.935 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.015 -6.502 0.096 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.608 -8.445 1.767 1.00 0.00 H new ATOM 0 HH TYR A 76 -10.155 -8.538 -0.628 1.00 0.00 H new ATOM 1107 N PHE A 77 -9.062 -1.268 4.164 1.00 0.00 N ATOM 1108 CA PHE A 77 -8.705 0.047 4.684 1.00 0.00 C ATOM 1109 C PHE A 77 -9.712 1.101 4.237 1.00 0.00 C ATOM 1110 O PHE A 77 -10.581 0.831 3.408 1.00 0.00 O ATOM 1111 CB PHE A 77 -7.300 0.436 4.222 1.00 0.00 C ATOM 1112 CG PHE A 77 -7.118 0.378 2.732 1.00 0.00 C ATOM 1113 CD1 PHE A 77 -6.810 -0.818 2.104 1.00 0.00 C ATOM 1114 CD2 PHE A 77 -7.255 1.520 1.960 1.00 0.00 C ATOM 1115 CE1 PHE A 77 -6.642 -0.875 0.734 1.00 0.00 C ATOM 1116 CE2 PHE A 77 -7.088 1.471 0.589 1.00 0.00 C ATOM 1117 CZ PHE A 77 -6.781 0.272 -0.025 1.00 0.00 C ATOM 0 H PHE A 77 -9.594 -1.247 3.294 1.00 0.00 H new ATOM 0 HA PHE A 77 -8.720 -0.003 5.773 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -7.080 1.446 4.567 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.575 -0.227 4.694 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -6.700 -1.717 2.693 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.495 2.460 2.435 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.403 -1.814 0.257 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -7.197 2.369 -0.002 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.650 0.231 -1.096 1.00 0.00 H new ATOM 1127 N THR A 78 -9.591 2.303 4.793 1.00 0.00 N ATOM 1128 CA THR A 78 -10.492 3.397 4.451 1.00 0.00 C ATOM 1129 C THR A 78 -9.868 4.307 3.397 1.00 0.00 C ATOM 1130 O THR A 78 -8.785 4.856 3.600 1.00 0.00 O ATOM 1131 CB THR A 78 -10.841 4.208 5.699 1.00 0.00 C ATOM 1132 OG1 THR A 78 -9.697 4.397 6.514 1.00 0.00 O ATOM 1133 CG2 THR A 78 -11.913 3.562 6.552 1.00 0.00 C ATOM 0 H THR A 78 -8.878 2.543 5.482 1.00 0.00 H new ATOM 0 HA THR A 78 -11.405 2.967 4.039 1.00 0.00 H new ATOM 0 HB THR A 78 -11.220 5.160 5.327 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.923 4.603 5.949 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.113 4.189 7.421 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.826 3.451 5.967 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.573 2.581 6.883 1.00 0.00 H new ATOM 1141 N CYS A 79 -10.559 4.464 2.274 1.00 0.00 N ATOM 1142 CA CYS A 79 -10.074 5.308 1.188 1.00 0.00 C ATOM 1143 C CYS A 79 -11.229 6.032 0.504 1.00 0.00 C ATOM 1144 O CYS A 79 -12.394 5.824 0.844 1.00 0.00 O ATOM 1145 CB CYS A 79 -9.307 4.469 0.165 1.00 0.00 C ATOM 1146 SG CYS A 79 -10.288 3.155 -0.598 1.00 0.00 S ATOM 0 H CYS A 79 -11.458 4.018 2.091 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.402 6.053 1.614 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.929 5.127 -0.618 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.440 4.024 0.653 1.00 0.00 H new ATOM 0 HG CYS A 79 -11.553 3.430 -0.474 1.00 0.00 H new ATOM 1152 N ALA A 80 -10.899 6.884 -0.461 1.00 0.00 N ATOM 1153 CA ALA A 80 -11.909 7.639 -1.194 1.00 0.00 C ATOM 1154 C ALA A 80 -12.371 6.878 -2.433 1.00 0.00 C ATOM 1155 O ALA A 80 -11.765 5.879 -2.821 1.00 0.00 O ATOM 1156 CB ALA A 80 -11.366 9.005 -1.582 1.00 0.00 C ATOM 0 H ALA A 80 -9.940 7.069 -0.754 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.772 7.775 -0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.130 9.558 -2.129 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -11.092 9.557 -0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.486 8.881 -2.213 1.00 0.00 H new ATOM 1162 N PRO A 81 -13.455 7.344 -3.076 1.00 0.00 N ATOM 1163 CA PRO A 81 -13.996 6.702 -4.279 1.00 0.00 C ATOM 1164 C PRO A 81 -12.934 6.502 -5.354 1.00 0.00 C ATOM 1165 O PRO A 81 -12.414 7.468 -5.915 1.00 0.00 O ATOM 1166 CB PRO A 81 -15.064 7.686 -4.759 1.00 0.00 C ATOM 1167 CG PRO A 81 -15.472 8.432 -3.537 1.00 0.00 C ATOM 1168 CD PRO A 81 -14.238 8.530 -2.683 1.00 0.00 C ATOM 0 HA PRO A 81 -14.382 5.704 -4.070 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -14.668 8.359 -5.519 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -15.911 7.164 -5.205 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -15.850 9.422 -3.792 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -16.271 7.911 -3.010 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.691 9.453 -2.872 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -14.482 8.516 -1.621 1.00 0.00 H new ATOM 1176 N ARG A 82 -12.614 5.244 -5.636 1.00 0.00 N ATOM 1177 CA ARG A 82 -11.613 4.917 -6.644 1.00 0.00 C ATOM 1178 C ARG A 82 -10.251 5.493 -6.266 1.00 0.00 C ATOM 1179 O ARG A 82 -9.626 6.208 -7.051 1.00 0.00 O ATOM 1180 CB ARG A 82 -12.046 5.445 -8.013 1.00 0.00 C ATOM 1181 CG ARG A 82 -12.856 4.445 -8.822 1.00 0.00 C ATOM 1182 CD ARG A 82 -11.965 3.608 -9.726 1.00 0.00 C ATOM 1183 NE ARG A 82 -12.725 2.941 -10.779 1.00 0.00 N ATOM 1184 CZ ARG A 82 -12.184 2.121 -11.677 1.00 0.00 C ATOM 1185 NH1 ARG A 82 -10.883 1.865 -11.653 1.00 0.00 N ATOM 1186 NH2 ARG A 82 -12.947 1.555 -12.602 1.00 0.00 N ATOM 0 H ARG A 82 -13.034 4.434 -5.180 1.00 0.00 H new ATOM 0 HA ARG A 82 -11.524 3.832 -6.695 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -12.637 6.350 -7.874 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -11.160 5.727 -8.581 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -13.408 3.791 -8.147 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.593 4.975 -9.425 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -11.205 4.246 -10.177 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -11.442 2.862 -9.128 1.00 0.00 H new ATOM 0 HE ARG A 82 -13.729 3.113 -10.829 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -10.291 2.297 -10.944 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -10.474 1.236 -12.344 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -13.948 1.748 -12.625 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.533 0.927 -13.290 1.00 0.00 H new ATOM 1200 N HIS A 83 -9.797 5.177 -5.058 1.00 0.00 N ATOM 1201 CA HIS A 83 -8.509 5.662 -4.574 1.00 0.00 C ATOM 1202 C HIS A 83 -7.588 4.500 -4.220 1.00 0.00 C ATOM 1203 O HIS A 83 -6.397 4.522 -4.531 1.00 0.00 O ATOM 1204 CB HIS A 83 -8.707 6.562 -3.353 1.00 0.00 C ATOM 1205 CG HIS A 83 -8.970 7.994 -3.701 1.00 0.00 C ATOM 1206 ND1 HIS A 83 -8.446 9.061 -3.007 1.00 0.00 N ATOM 1207 CD2 HIS A 83 -9.719 8.528 -4.699 1.00 0.00 C ATOM 1208 CE1 HIS A 83 -8.883 10.186 -3.590 1.00 0.00 C ATOM 1209 NE2 HIS A 83 -9.659 9.917 -4.623 1.00 0.00 N ATOM 0 H HIS A 83 -10.301 4.587 -4.396 1.00 0.00 H new ATOM 0 HA HIS A 83 -8.043 6.240 -5.372 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -9.540 6.181 -2.763 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -7.819 6.507 -2.723 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -7.834 9.005 -2.193 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -10.273 7.965 -5.435 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -8.633 11.183 -3.258 1.00 0.00 H new ATOM 1217 N GLY A 84 -8.146 3.486 -3.566 1.00 0.00 N ATOM 1218 CA GLY A 84 -7.360 2.329 -3.182 1.00 0.00 C ATOM 1219 C GLY A 84 -6.821 1.571 -4.378 1.00 0.00 C ATOM 1220 O GLY A 84 -7.391 1.630 -5.468 1.00 0.00 O ATOM 0 H GLY A 84 -9.129 3.445 -3.295 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.528 2.651 -2.555 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.974 1.660 -2.579 1.00 0.00 H new ATOM 1224 N VAL A 85 -5.718 0.857 -4.177 1.00 0.00 N ATOM 1225 CA VAL A 85 -5.102 0.085 -5.249 1.00 0.00 C ATOM 1226 C VAL A 85 -4.259 -1.056 -4.692 1.00 0.00 C ATOM 1227 O VAL A 85 -3.390 -0.844 -3.845 1.00 0.00 O ATOM 1228 CB VAL A 85 -4.216 0.973 -6.143 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -5.072 1.914 -6.976 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -3.216 1.753 -5.299 1.00 0.00 C ATOM 0 H VAL A 85 -5.233 0.797 -3.282 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.914 -0.326 -5.848 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.657 0.330 -6.823 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.429 2.533 -7.601 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.742 1.332 -7.609 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.660 2.552 -6.316 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.599 2.375 -5.948 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.752 2.387 -4.592 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.580 1.057 -4.752 1.00 0.00 H new ATOM 1240 N PHE A 86 -4.519 -2.267 -5.173 1.00 0.00 N ATOM 1241 CA PHE A 86 -3.783 -3.443 -4.724 1.00 0.00 C ATOM 1242 C PHE A 86 -2.919 -4.004 -5.849 1.00 0.00 C ATOM 1243 O PHE A 86 -3.417 -4.680 -6.749 1.00 0.00 O ATOM 1244 CB PHE A 86 -4.753 -4.518 -4.227 1.00 0.00 C ATOM 1245 CG PHE A 86 -5.059 -4.418 -2.760 1.00 0.00 C ATOM 1246 CD1 PHE A 86 -4.048 -4.531 -1.818 1.00 0.00 C ATOM 1247 CD2 PHE A 86 -6.357 -4.212 -2.323 1.00 0.00 C ATOM 1248 CE1 PHE A 86 -4.327 -4.441 -0.467 1.00 0.00 C ATOM 1249 CE2 PHE A 86 -6.642 -4.120 -0.974 1.00 0.00 C ATOM 1250 CZ PHE A 86 -5.626 -4.234 -0.045 1.00 0.00 C ATOM 0 H PHE A 86 -5.234 -2.460 -5.874 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.132 -3.143 -3.903 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.684 -4.444 -4.790 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.331 -5.501 -4.436 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.031 -4.691 -2.143 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.155 -4.122 -3.045 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.531 -4.532 0.257 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.658 -3.959 -0.646 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.847 -4.161 1.010 1.00 0.00 H new ATOM 1260 N ALA A 87 -1.622 -3.719 -5.792 1.00 0.00 N ATOM 1261 CA ALA A 87 -0.691 -4.195 -6.807 1.00 0.00 C ATOM 1262 C ALA A 87 0.438 -5.012 -6.179 1.00 0.00 C ATOM 1263 O ALA A 87 0.875 -4.726 -5.065 1.00 0.00 O ATOM 1264 CB ALA A 87 -0.121 -3.022 -7.590 1.00 0.00 C ATOM 0 H ALA A 87 -1.193 -3.161 -5.054 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.238 -4.845 -7.490 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.573 -3.391 -8.345 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.932 -2.481 -8.077 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.405 -2.352 -6.910 1.00 0.00 H new ATOM 1270 N PRO A 88 0.928 -6.044 -6.890 1.00 0.00 N ATOM 1271 CA PRO A 88 2.011 -6.900 -6.393 1.00 0.00 C ATOM 1272 C PRO A 88 3.272 -6.106 -6.070 1.00 0.00 C ATOM 1273 O PRO A 88 3.622 -5.163 -6.778 1.00 0.00 O ATOM 1274 CB PRO A 88 2.274 -7.867 -7.553 1.00 0.00 C ATOM 1275 CG PRO A 88 1.026 -7.846 -8.366 1.00 0.00 C ATOM 1276 CD PRO A 88 0.468 -6.458 -8.227 1.00 0.00 C ATOM 0 HA PRO A 88 1.737 -7.398 -5.463 1.00 0.00 H new ATOM 0 HB2 PRO A 88 3.134 -7.550 -8.143 1.00 0.00 H new ATOM 0 HB3 PRO A 88 2.490 -8.871 -7.188 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.236 -8.080 -9.410 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.315 -8.591 -8.009 1.00 0.00 H new ATOM 0 HD2 PRO A 88 0.842 -5.793 -9.006 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.620 -6.452 -8.299 1.00 0.00 H new ATOM 1284 N ALA A 89 3.952 -6.496 -4.991 1.00 0.00 N ATOM 1285 CA ALA A 89 5.177 -5.822 -4.575 1.00 0.00 C ATOM 1286 C ALA A 89 6.111 -5.641 -5.763 1.00 0.00 C ATOM 1287 O ALA A 89 6.574 -4.536 -6.043 1.00 0.00 O ATOM 1288 CB ALA A 89 5.867 -6.610 -3.469 1.00 0.00 C ATOM 0 H ALA A 89 3.674 -7.274 -4.392 1.00 0.00 H new ATOM 0 HA ALA A 89 4.917 -4.837 -4.186 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.779 -6.094 -3.170 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.200 -6.694 -2.611 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.117 -7.606 -3.834 1.00 0.00 H new ATOM 1294 N SER A 90 6.361 -6.737 -6.474 1.00 0.00 N ATOM 1295 CA SER A 90 7.216 -6.701 -7.649 1.00 0.00 C ATOM 1296 C SER A 90 6.685 -5.675 -8.642 1.00 0.00 C ATOM 1297 O SER A 90 7.434 -5.137 -9.459 1.00 0.00 O ATOM 1298 CB SER A 90 7.284 -8.081 -8.306 1.00 0.00 C ATOM 1299 OG SER A 90 8.583 -8.344 -8.808 1.00 0.00 O ATOM 0 H SER A 90 5.983 -7.658 -6.255 1.00 0.00 H new ATOM 0 HA SER A 90 8.222 -6.415 -7.341 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.009 -8.847 -7.580 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.559 -8.137 -9.118 1.00 0.00 H new ATOM 0 HG SER A 90 8.600 -9.232 -9.221 1.00 0.00 H new ATOM 1305 N ARG A 91 5.386 -5.395 -8.552 1.00 0.00 N ATOM 1306 CA ARG A 91 4.755 -4.418 -9.426 1.00 0.00 C ATOM 1307 C ARG A 91 4.816 -3.025 -8.804 1.00 0.00 C ATOM 1308 O ARG A 91 4.580 -2.024 -9.479 1.00 0.00 O ATOM 1309 CB ARG A 91 3.300 -4.808 -9.700 1.00 0.00 C ATOM 1310 CG ARG A 91 3.108 -5.553 -11.012 1.00 0.00 C ATOM 1311 CD ARG A 91 1.913 -5.021 -11.789 1.00 0.00 C ATOM 1312 NE ARG A 91 1.070 -6.098 -12.301 1.00 0.00 N ATOM 1313 CZ ARG A 91 1.466 -6.979 -13.215 1.00 0.00 C ATOM 1314 NH1 ARG A 91 2.692 -6.917 -13.721 1.00 0.00 N ATOM 1315 NH2 ARG A 91 0.635 -7.929 -13.626 1.00 0.00 N ATOM 0 H ARG A 91 4.754 -5.833 -7.882 1.00 0.00 H new ATOM 0 HA ARG A 91 5.298 -4.402 -10.371 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.939 -5.431 -8.882 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.686 -3.907 -9.710 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.008 -5.459 -11.619 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.968 -6.615 -10.811 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.321 -4.372 -11.144 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.264 -4.409 -12.620 1.00 0.00 H new ATOM 0 HE ARG A 91 0.121 -6.179 -11.936 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.336 -6.191 -13.409 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.989 -7.596 -14.422 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.308 -7.984 -13.241 1.00 0.00 H new ATOM 0 HH22 ARG A 91 0.939 -8.604 -14.327 1.00 0.00 H new ATOM 1329 N ILE A 92 5.139 -2.966 -7.510 1.00 0.00 N ATOM 1330 CA ILE A 92 5.232 -1.692 -6.806 1.00 0.00 C ATOM 1331 C ILE A 92 6.679 -1.369 -6.447 1.00 0.00 C ATOM 1332 O ILE A 92 7.517 -2.263 -6.335 1.00 0.00 O ATOM 1333 CB ILE A 92 4.382 -1.695 -5.520 1.00 0.00 C ATOM 1334 CG1 ILE A 92 2.949 -2.131 -5.830 1.00 0.00 C ATOM 1335 CG2 ILE A 92 4.393 -0.319 -4.872 1.00 0.00 C ATOM 1336 CD1 ILE A 92 2.095 -2.322 -4.595 1.00 0.00 C ATOM 0 H ILE A 92 5.339 -3.783 -6.934 1.00 0.00 H new ATOM 0 HA ILE A 92 4.848 -0.928 -7.482 1.00 0.00 H new ATOM 0 HB ILE A 92 4.816 -2.408 -4.819 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.482 -1.385 -6.473 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.975 -3.065 -6.392 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.788 -0.339 -3.965 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.417 -0.044 -4.619 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.982 0.414 -5.567 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.092 -2.631 -4.890 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.539 -3.089 -3.961 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.038 -1.384 -4.043 1.00 0.00 H new ATOM 1348 N GLN A 93 6.965 -0.083 -6.267 1.00 0.00 N ATOM 1349 CA GLN A 93 8.310 0.360 -5.919 1.00 0.00 C ATOM 1350 C GLN A 93 8.293 1.185 -4.637 1.00 0.00 C ATOM 1351 O GLN A 93 7.238 1.400 -4.040 1.00 0.00 O ATOM 1352 CB GLN A 93 8.911 1.181 -7.062 1.00 0.00 C ATOM 1353 CG GLN A 93 9.754 0.360 -8.024 1.00 0.00 C ATOM 1354 CD GLN A 93 9.795 0.957 -9.417 1.00 0.00 C ATOM 1355 OE1 GLN A 93 8.622 1.180 -10.001 1.00 0.00 O flip ATOM 1356 NE2 GLN A 93 10.868 1.214 -9.964 1.00 0.00 N flip ATOM 0 H GLN A 93 6.283 0.670 -6.356 1.00 0.00 H new ATOM 0 HA GLN A 93 8.927 -0.523 -5.754 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.104 1.660 -7.617 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.526 1.977 -6.642 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.770 0.282 -7.636 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.355 -0.653 -8.078 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.745 1.027 -9.479 1.00 0.00 H new ATOM 0 HE22 GLN A 93 10.879 1.614 -10.902 1.00 0.00 H new ATOM 1365 N ARG A 94 9.468 1.645 -4.219 1.00 0.00 N ATOM 1366 CA ARG A 94 9.587 2.447 -3.007 1.00 0.00 C ATOM 1367 C ARG A 94 10.305 3.762 -3.292 1.00 0.00 C ATOM 1368 O ARG A 94 11.249 3.806 -4.082 1.00 0.00 O ATOM 1369 CB ARG A 94 10.337 1.667 -1.926 1.00 0.00 C ATOM 1370 CG ARG A 94 9.843 1.953 -0.517 1.00 0.00 C ATOM 1371 CD ARG A 94 10.793 1.394 0.530 1.00 0.00 C ATOM 1372 NE ARG A 94 10.078 0.823 1.669 1.00 0.00 N ATOM 1373 CZ ARG A 94 10.641 0.576 2.849 1.00 0.00 C ATOM 1374 NH1 ARG A 94 11.925 0.847 3.051 1.00 0.00 N ATOM 1375 NH2 ARG A 94 9.919 0.055 3.831 1.00 0.00 N ATOM 0 H ARG A 94 10.351 1.476 -4.702 1.00 0.00 H new ATOM 0 HA ARG A 94 8.582 2.673 -2.651 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.240 0.600 -2.126 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.398 1.908 -1.986 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.739 3.029 -0.378 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.853 1.517 -0.382 1.00 0.00 H new ATOM 0 HD2 ARG A 94 11.422 0.628 0.076 1.00 0.00 H new ATOM 0 HD3 ARG A 94 11.456 2.186 0.878 1.00 0.00 H new ATOM 0 HE ARG A 94 9.089 0.601 1.553 1.00 0.00 H new ATOM 0 HH11 ARG A 94 12.486 1.247 2.299 1.00 0.00 H new ATOM 0 HH12 ARG A 94 12.350 0.655 3.958 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.932 -0.156 3.682 1.00 0.00 H new ATOM 0 HH22 ARG A 94 10.350 -0.135 4.736 1.00 0.00 H new ATOM 1389 N ILE A 95 9.853 4.831 -2.644 1.00 0.00 N ATOM 1390 CA ILE A 95 10.453 6.147 -2.828 1.00 0.00 C ATOM 1391 C ILE A 95 10.894 6.741 -1.493 1.00 0.00 C ATOM 1392 O ILE A 95 11.011 7.959 -1.353 1.00 0.00 O ATOM 1393 CB ILE A 95 9.475 7.121 -3.515 1.00 0.00 C ATOM 1394 CG1 ILE A 95 8.842 6.467 -4.745 1.00 0.00 C ATOM 1395 CG2 ILE A 95 10.193 8.406 -3.904 1.00 0.00 C ATOM 1396 CD1 ILE A 95 7.353 6.719 -4.862 1.00 0.00 C ATOM 0 H ILE A 95 9.073 4.811 -1.987 1.00 0.00 H new ATOM 0 HA ILE A 95 11.325 6.011 -3.468 1.00 0.00 H new ATOM 0 HB ILE A 95 8.681 7.368 -2.811 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.338 6.840 -5.641 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.019 5.392 -4.707 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.490 9.084 -4.388 1.00 0.00 H new ATOM 0 HG22 ILE A 95 10.598 8.881 -3.011 1.00 0.00 H new ATOM 0 HG23 ILE A 95 11.006 8.175 -4.592 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.970 6.227 -5.756 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.846 6.321 -3.983 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.170 7.791 -4.931 1.00 0.00 H new ATOM 1408 N GLY A 96 11.138 5.876 -0.513 1.00 0.00 N ATOM 1409 CA GLY A 96 11.563 6.338 0.794 1.00 0.00 C ATOM 1410 C GLY A 96 13.068 6.283 0.968 1.00 0.00 C ATOM 1411 O GLY A 96 13.760 5.587 0.225 1.00 0.00 O ATOM 0 H GLY A 96 11.049 4.864 -0.602 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.220 7.362 0.943 1.00 0.00 H new ATOM 0 HA3 GLY A 96 11.089 5.728 1.563 1.00 0.00 H new ATOM 1415 N SER A 97 13.577 7.020 1.950 1.00 0.00 N ATOM 1416 CA SER A 97 15.010 7.051 2.218 1.00 0.00 C ATOM 1417 C SER A 97 15.416 5.906 3.140 1.00 0.00 C ATOM 1418 O SER A 97 15.517 6.079 4.355 1.00 0.00 O ATOM 1419 CB SER A 97 15.403 8.390 2.845 1.00 0.00 C ATOM 1420 OG SER A 97 14.859 9.475 2.113 1.00 0.00 O ATOM 0 H SER A 97 13.019 7.603 2.573 1.00 0.00 H new ATOM 0 HA SER A 97 15.535 6.933 1.270 1.00 0.00 H new ATOM 0 HB2 SER A 97 15.051 8.430 3.876 1.00 0.00 H new ATOM 0 HB3 SER A 97 16.489 8.476 2.876 1.00 0.00 H new ATOM 0 HG SER A 97 15.123 10.319 2.535 1.00 0.00 H new ATOM 1426 N GLY A 98 15.650 4.736 2.554 1.00 0.00 N ATOM 1427 CA GLY A 98 16.042 3.580 3.338 1.00 0.00 C ATOM 1428 C GLY A 98 17.498 3.204 3.131 1.00 0.00 C ATOM 1429 O GLY A 98 18.350 3.539 3.955 1.00 0.00 O ATOM 0 H GLY A 98 15.575 4.568 1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 98 15.870 3.786 4.394 1.00 0.00 H new ATOM 0 HA3 GLY A 98 15.410 2.733 3.072 1.00 0.00 H new ATOM 1433 N PRO A 99 17.818 2.504 2.030 1.00 0.00 N ATOM 1434 CA PRO A 99 19.192 2.088 1.729 1.00 0.00 C ATOM 1435 C PRO A 99 20.175 3.252 1.780 1.00 0.00 C ATOM 1436 O PRO A 99 20.228 4.074 0.864 1.00 0.00 O ATOM 1437 CB PRO A 99 19.093 1.534 0.305 1.00 0.00 C ATOM 1438 CG PRO A 99 17.675 1.104 0.163 1.00 0.00 C ATOM 1439 CD PRO A 99 16.866 2.062 0.993 1.00 0.00 C ATOM 0 HA PRO A 99 19.567 1.367 2.456 1.00 0.00 H new ATOM 0 HB2 PRO A 99 19.352 2.292 -0.434 1.00 0.00 H new ATOM 0 HB3 PRO A 99 19.777 0.698 0.157 1.00 0.00 H new ATOM 0 HG2 PRO A 99 17.362 1.131 -0.881 1.00 0.00 H new ATOM 0 HG3 PRO A 99 17.542 0.079 0.509 1.00 0.00 H new ATOM 0 HD2 PRO A 99 16.502 2.900 0.399 1.00 0.00 H new ATOM 0 HD3 PRO A 99 15.993 1.577 1.430 1.00 0.00 H new ATOM 1447 N SER A 100 20.952 3.317 2.856 1.00 0.00 N ATOM 1448 CA SER A 100 21.934 4.382 3.026 1.00 0.00 C ATOM 1449 C SER A 100 22.923 4.037 4.135 1.00 0.00 C ATOM 1450 O SER A 100 24.130 4.227 3.985 1.00 0.00 O ATOM 1451 CB SER A 100 21.234 5.704 3.344 1.00 0.00 C ATOM 1452 OG SER A 100 20.328 5.556 4.422 1.00 0.00 O ATOM 0 H SER A 100 20.921 2.645 3.623 1.00 0.00 H new ATOM 0 HA SER A 100 22.485 4.487 2.091 1.00 0.00 H new ATOM 0 HB2 SER A 100 21.977 6.462 3.591 1.00 0.00 H new ATOM 0 HB3 SER A 100 20.700 6.057 2.462 1.00 0.00 H new ATOM 0 HG SER A 100 19.611 4.939 4.165 1.00 0.00 H new ATOM 1458 N SER A 101 22.403 3.531 5.249 1.00 0.00 N ATOM 1459 CA SER A 101 23.241 3.159 6.383 1.00 0.00 C ATOM 1460 C SER A 101 23.997 4.371 6.919 1.00 0.00 C ATOM 1461 O SER A 101 25.142 4.257 7.358 1.00 0.00 O ATOM 1462 CB SER A 101 24.230 2.065 5.979 1.00 0.00 C ATOM 1463 OG SER A 101 24.411 1.128 7.025 1.00 0.00 O ATOM 0 H SER A 101 21.406 3.369 5.390 1.00 0.00 H new ATOM 0 HA SER A 101 22.593 2.777 7.172 1.00 0.00 H new ATOM 0 HB2 SER A 101 23.867 1.554 5.088 1.00 0.00 H new ATOM 0 HB3 SER A 101 25.188 2.515 5.720 1.00 0.00 H new ATOM 0 HG SER A 101 25.047 0.439 6.740 1.00 0.00 H new ATOM 1469 N GLY A 102 23.349 5.531 6.882 1.00 0.00 N ATOM 1470 CA GLY A 102 23.975 6.746 7.367 1.00 0.00 C ATOM 1471 C GLY A 102 23.601 7.961 6.541 1.00 0.00 C ATOM 1472 O GLY A 102 23.706 9.090 7.065 1.00 0.00 O ATOM 1473 OXT GLY A 102 23.204 7.784 5.371 1.00 0.00 O ATOM 0 H GLY A 102 22.401 5.651 6.525 1.00 0.00 H new ATOM 0 HA2 GLY A 102 23.684 6.912 8.404 1.00 0.00 H new ATOM 0 HA3 GLY A 102 25.058 6.622 7.356 1.00 0.00 H new TER 1477 GLY A 102