USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 770 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 72 CYS SG : rot 180:sc= -0.501 USER MOD Set 1.2: A 73 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 47 HIS : no HE2:sc= -1.6! K(o=-2.1!,f=-1.6) USER MOD Set 2.2: A 53 ASN : amide:sc= -0.544 K(o=-2.1,f=-1.6) USER MOD Single : A 1 GLY N :NH3+ -104:sc= 0.0739 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 HIS : no HD1:sc= -1.74 K(o=-1.7,f=-3.7) USER MOD Single : A 15 GLN : amide:sc= -0.015 K(o=-0.015,f=-1.2) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 157:sc= -4.02! (180deg=-6.48!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 155:sc= -2.13! (180deg=-4.05!) USER MOD Single : A 27 ASN : amide:sc= -0.315 X(o=-0.31,f=-0.084) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 27:sc= -0.102 USER MOD Single : A 42 HIS : no HD1:sc= -2.27 K(o=-2.3,f=-0.96) USER MOD Single : A 45 LYS NZ :NH3+ 164:sc= -0.425 (180deg=-0.509) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -92:sc= -0.114 USER MOD Single : A 63 SER OG : rot -105:sc= -0.277 USER MOD Single : A 67 HIS : no HD1:sc= -2.82 K(o=-2.8,f=-3.4!) USER MOD Single : A 74 LYS NZ :NH3+ 160:sc= -0.0533 (180deg=-0.359) USER MOD Single : A 75 THR OG1 : rot -154:sc= 0.655 USER MOD Single : A 77 HIS : no HD1:sc= -3.97! K(o=-4!,f=-0.72) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -134:sc= -0.153 (180deg=-1.9!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.0381 X(o=-0.038,f=-0.038) USER MOD Single : A 97 CYS SG : rot 180:sc= 0.032 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.914 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 39:sc= 0.456 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.777 -17.942 -2.924 1.00 0.00 N ATOM 2 CA GLY A 1 17.993 -17.608 -2.205 1.00 0.00 C ATOM 3 C GLY A 1 17.714 -17.039 -0.828 1.00 0.00 C ATOM 4 O GLY A 1 16.559 -16.844 -0.452 1.00 0.00 O ATOM 0 H1 GLY A 1 16.639 -18.973 -2.913 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.965 -17.479 -2.467 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.854 -17.613 -3.908 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.611 -18.501 -2.108 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.567 -16.885 -2.784 1.00 0.00 H new ATOM 8 N SER A 2 18.776 -16.773 -0.074 1.00 0.00 N ATOM 9 CA SER A 2 18.640 -16.228 1.272 1.00 0.00 C ATOM 10 C SER A 2 19.921 -15.520 1.703 1.00 0.00 C ATOM 11 O SER A 2 21.024 -15.945 1.359 1.00 0.00 O ATOM 12 CB SER A 2 18.301 -17.342 2.264 1.00 0.00 C ATOM 13 OG SER A 2 17.984 -16.811 3.539 1.00 0.00 O ATOM 0 H SER A 2 19.739 -16.926 -0.372 1.00 0.00 H new ATOM 0 HA SER A 2 17.829 -15.500 1.263 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.458 -17.923 1.889 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.146 -18.025 2.351 1.00 0.00 H new ATOM 0 HG SER A 2 17.769 -17.543 4.154 1.00 0.00 H new ATOM 19 N SER A 3 19.765 -14.438 2.459 1.00 0.00 N ATOM 20 CA SER A 3 20.908 -13.667 2.935 1.00 0.00 C ATOM 21 C SER A 3 20.672 -13.167 4.357 1.00 0.00 C ATOM 22 O SER A 3 19.565 -13.264 4.885 1.00 0.00 O ATOM 23 CB SER A 3 21.176 -12.484 2.003 1.00 0.00 C ATOM 24 OG SER A 3 19.998 -11.725 1.792 1.00 0.00 O ATOM 0 H SER A 3 18.859 -14.075 2.755 1.00 0.00 H new ATOM 0 HA SER A 3 21.780 -14.321 2.939 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.951 -11.848 2.431 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.554 -12.848 1.048 1.00 0.00 H new ATOM 0 HG SER A 3 20.196 -10.974 1.195 1.00 0.00 H new ATOM 30 N GLY A 4 21.722 -12.630 4.971 1.00 0.00 N ATOM 31 CA GLY A 4 21.609 -12.122 6.326 1.00 0.00 C ATOM 32 C GLY A 4 21.618 -10.607 6.379 1.00 0.00 C ATOM 33 O GLY A 4 21.556 -9.942 5.345 1.00 0.00 O ATOM 0 H GLY A 4 22.649 -12.538 4.555 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.687 -12.493 6.774 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.433 -12.509 6.926 1.00 0.00 H new ATOM 37 N SER A 5 21.694 -10.060 7.588 1.00 0.00 N ATOM 38 CA SER A 5 21.705 -8.613 7.773 1.00 0.00 C ATOM 39 C SER A 5 23.113 -8.053 7.592 1.00 0.00 C ATOM 40 O SER A 5 23.554 -7.193 8.354 1.00 0.00 O ATOM 41 CB SER A 5 21.175 -8.251 9.161 1.00 0.00 C ATOM 42 OG SER A 5 19.765 -8.104 9.146 1.00 0.00 O ATOM 0 H SER A 5 21.749 -10.596 8.454 1.00 0.00 H new ATOM 0 HA SER A 5 21.056 -8.170 7.017 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.455 -9.026 9.874 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.637 -7.324 9.500 1.00 0.00 H new ATOM 0 HG SER A 5 19.450 -7.874 10.045 1.00 0.00 H new ATOM 48 N SER A 6 23.814 -8.548 6.577 1.00 0.00 N ATOM 49 CA SER A 6 25.173 -8.101 6.297 1.00 0.00 C ATOM 50 C SER A 6 25.591 -8.487 4.881 1.00 0.00 C ATOM 51 O SER A 6 24.925 -9.282 4.220 1.00 0.00 O ATOM 52 CB SER A 6 26.149 -8.702 7.310 1.00 0.00 C ATOM 53 OG SER A 6 26.122 -10.118 7.266 1.00 0.00 O ATOM 0 H SER A 6 23.463 -9.259 5.935 1.00 0.00 H new ATOM 0 HA SER A 6 25.196 -7.014 6.381 1.00 0.00 H new ATOM 0 HB2 SER A 6 27.158 -8.348 7.101 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.893 -8.361 8.313 1.00 0.00 H new ATOM 0 HG SER A 6 26.756 -10.478 7.921 1.00 0.00 H new ATOM 59 N GLY A 7 26.700 -7.915 4.421 1.00 0.00 N ATOM 60 CA GLY A 7 27.189 -8.210 3.087 1.00 0.00 C ATOM 61 C GLY A 7 26.517 -7.364 2.024 1.00 0.00 C ATOM 62 O GLY A 7 27.185 -6.653 1.273 1.00 0.00 O ATOM 0 H GLY A 7 27.268 -7.253 4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 7 28.266 -8.043 3.053 1.00 0.00 H new ATOM 0 HA3 GLY A 7 27.022 -9.264 2.867 1.00 0.00 H new ATOM 66 N VAL A 8 25.192 -7.442 1.957 1.00 0.00 N ATOM 67 CA VAL A 8 24.429 -6.678 0.977 1.00 0.00 C ATOM 68 C VAL A 8 24.150 -5.265 1.479 1.00 0.00 C ATOM 69 O VAL A 8 23.911 -5.052 2.668 1.00 0.00 O ATOM 70 CB VAL A 8 23.093 -7.367 0.645 1.00 0.00 C ATOM 71 CG1 VAL A 8 22.196 -7.415 1.873 1.00 0.00 C ATOM 72 CG2 VAL A 8 22.398 -6.654 -0.505 1.00 0.00 C ATOM 0 H VAL A 8 24.624 -8.027 2.570 1.00 0.00 H new ATOM 0 HA VAL A 8 25.036 -6.626 0.073 1.00 0.00 H new ATOM 0 HB VAL A 8 23.300 -8.392 0.336 1.00 0.00 H new ATOM 0 HG11 VAL A 8 21.257 -7.906 1.618 1.00 0.00 H new ATOM 0 HG12 VAL A 8 22.694 -7.974 2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 8 21.994 -6.400 2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 8 21.455 -7.154 -0.727 1.00 0.00 H new ATOM 0 HG22 VAL A 8 22.203 -5.619 -0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 8 23.037 -6.678 -1.387 1.00 0.00 H new ATOM 82 N LYS A 9 24.180 -4.302 0.564 1.00 0.00 N ATOM 83 CA LYS A 9 23.928 -2.909 0.911 1.00 0.00 C ATOM 84 C LYS A 9 22.756 -2.352 0.110 1.00 0.00 C ATOM 85 O LYS A 9 22.536 -2.713 -1.046 1.00 0.00 O ATOM 86 CB LYS A 9 25.179 -2.064 0.659 1.00 0.00 C ATOM 87 CG LYS A 9 26.311 -2.349 1.631 1.00 0.00 C ATOM 88 CD LYS A 9 27.634 -1.803 1.121 1.00 0.00 C ATOM 89 CE LYS A 9 28.578 -1.469 2.266 1.00 0.00 C ATOM 90 NZ LYS A 9 28.269 -0.144 2.871 1.00 0.00 N ATOM 0 H LYS A 9 24.377 -4.461 -0.424 1.00 0.00 H new ATOM 0 HA LYS A 9 23.675 -2.865 1.970 1.00 0.00 H new ATOM 0 HB2 LYS A 9 25.530 -2.244 -0.357 1.00 0.00 H new ATOM 0 HB3 LYS A 9 24.913 -1.009 0.723 1.00 0.00 H new ATOM 0 HG2 LYS A 9 26.081 -1.904 2.599 1.00 0.00 H new ATOM 0 HG3 LYS A 9 26.396 -3.424 1.787 1.00 0.00 H new ATOM 0 HD2 LYS A 9 28.102 -2.536 0.464 1.00 0.00 H new ATOM 0 HD3 LYS A 9 27.454 -0.909 0.524 1.00 0.00 H new ATOM 0 HE2 LYS A 9 28.509 -2.242 3.031 1.00 0.00 H new ATOM 0 HE3 LYS A 9 29.605 -1.471 1.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 28.934 0.047 3.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 28.359 0.598 2.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 27.297 -0.150 3.241 1.00 0.00 H new ATOM 104 N PRO A 10 21.985 -1.450 0.736 1.00 0.00 N ATOM 105 CA PRO A 10 20.824 -0.822 0.098 1.00 0.00 C ATOM 106 C PRO A 10 21.223 0.144 -1.011 1.00 0.00 C ATOM 107 O PRO A 10 21.782 1.213 -0.765 1.00 0.00 O ATOM 108 CB PRO A 10 20.152 -0.068 1.249 1.00 0.00 C ATOM 109 CG PRO A 10 21.250 0.198 2.220 1.00 0.00 C ATOM 110 CD PRO A 10 22.188 -0.973 2.114 1.00 0.00 C ATOM 0 HA PRO A 10 20.178 -1.555 -0.384 1.00 0.00 H new ATOM 0 HB2 PRO A 10 19.697 0.860 0.902 1.00 0.00 H new ATOM 0 HB3 PRO A 10 19.358 -0.662 1.702 1.00 0.00 H new ATOM 0 HG2 PRO A 10 21.762 1.131 1.984 1.00 0.00 H new ATOM 0 HG3 PRO A 10 20.860 0.295 3.233 1.00 0.00 H new ATOM 0 HD2 PRO A 10 23.222 -0.676 2.288 1.00 0.00 H new ATOM 0 HD3 PRO A 10 21.951 -1.745 2.846 1.00 0.00 H new ATOM 118 N PRO A 11 20.931 -0.237 -2.263 1.00 0.00 N ATOM 119 CA PRO A 11 21.250 0.582 -3.436 1.00 0.00 C ATOM 120 C PRO A 11 20.392 1.841 -3.514 1.00 0.00 C ATOM 121 O PRO A 11 20.882 2.918 -3.854 1.00 0.00 O ATOM 122 CB PRO A 11 20.944 -0.347 -4.613 1.00 0.00 C ATOM 123 CG PRO A 11 19.934 -1.307 -4.085 1.00 0.00 C ATOM 124 CD PRO A 11 20.265 -1.499 -2.631 1.00 0.00 C ATOM 0 HA PRO A 11 22.279 0.940 -3.415 1.00 0.00 H new ATOM 0 HB2 PRO A 11 20.554 0.209 -5.465 1.00 0.00 H new ATOM 0 HB3 PRO A 11 21.841 -0.864 -4.953 1.00 0.00 H new ATOM 0 HG2 PRO A 11 18.924 -0.917 -4.207 1.00 0.00 H new ATOM 0 HG3 PRO A 11 19.977 -2.254 -4.623 1.00 0.00 H new ATOM 0 HD2 PRO A 11 19.369 -1.669 -2.034 1.00 0.00 H new ATOM 0 HD3 PRO A 11 20.918 -2.358 -2.478 1.00 0.00 H new ATOM 132 N HIS A 12 19.109 1.698 -3.197 1.00 0.00 N ATOM 133 CA HIS A 12 18.183 2.824 -3.231 1.00 0.00 C ATOM 134 C HIS A 12 17.447 2.962 -1.902 1.00 0.00 C ATOM 135 O HIS A 12 17.033 4.056 -1.520 1.00 0.00 O ATOM 136 CB HIS A 12 17.177 2.650 -4.369 1.00 0.00 C ATOM 137 CG HIS A 12 16.791 1.224 -4.615 1.00 0.00 C ATOM 138 ND1 HIS A 12 16.069 0.473 -3.712 1.00 0.00 N ATOM 139 CD2 HIS A 12 17.030 0.412 -5.671 1.00 0.00 C ATOM 140 CE1 HIS A 12 15.882 -0.739 -4.201 1.00 0.00 C ATOM 141 NE2 HIS A 12 16.455 -0.802 -5.390 1.00 0.00 N ATOM 0 H HIS A 12 18.687 0.814 -2.914 1.00 0.00 H new ATOM 0 HA HIS A 12 18.760 3.733 -3.403 1.00 0.00 H new ATOM 0 HB2 HIS A 12 16.280 3.226 -4.141 1.00 0.00 H new ATOM 0 HB3 HIS A 12 17.600 3.066 -5.283 1.00 0.00 H new ATOM 0 HD2 HIS A 12 17.572 0.671 -6.568 1.00 0.00 H new ATOM 0 HE1 HIS A 12 15.351 -1.542 -3.712 1.00 0.00 H new ATOM 0 HE2 HIS A 12 16.468 -1.620 -6.000 1.00 0.00 H new ATOM 150 N GLY A 13 17.285 1.843 -1.201 1.00 0.00 N ATOM 151 CA GLY A 13 16.598 1.861 0.077 1.00 0.00 C ATOM 152 C GLY A 13 15.441 0.883 0.127 1.00 0.00 C ATOM 153 O GLY A 13 15.329 0.090 1.062 1.00 0.00 O ATOM 0 H GLY A 13 17.617 0.925 -1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 13 17.306 1.622 0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 13 16.228 2.867 0.273 1.00 0.00 H new ATOM 157 N PHE A 14 14.577 0.940 -0.881 1.00 0.00 N ATOM 158 CA PHE A 14 13.420 0.053 -0.947 1.00 0.00 C ATOM 159 C PHE A 14 13.828 -1.393 -0.683 1.00 0.00 C ATOM 160 O PHE A 14 14.919 -1.820 -1.062 1.00 0.00 O ATOM 161 CB PHE A 14 12.744 0.163 -2.315 1.00 0.00 C ATOM 162 CG PHE A 14 11.969 1.436 -2.500 1.00 0.00 C ATOM 163 CD1 PHE A 14 12.623 2.632 -2.748 1.00 0.00 C ATOM 164 CD2 PHE A 14 10.585 1.436 -2.425 1.00 0.00 C ATOM 165 CE1 PHE A 14 11.912 3.805 -2.919 1.00 0.00 C ATOM 166 CE2 PHE A 14 9.869 2.606 -2.596 1.00 0.00 C ATOM 167 CZ PHE A 14 10.533 3.792 -2.842 1.00 0.00 C ATOM 0 H PHE A 14 14.655 1.590 -1.663 1.00 0.00 H new ATOM 0 HA PHE A 14 12.714 0.359 -0.175 1.00 0.00 H new ATOM 0 HB2 PHE A 14 13.504 0.093 -3.093 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.072 -0.685 -2.449 1.00 0.00 H new ATOM 0 HD1 PHE A 14 13.701 2.648 -2.808 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.060 0.512 -2.231 1.00 0.00 H new ATOM 0 HE1 PHE A 14 12.434 4.730 -3.113 1.00 0.00 H new ATOM 0 HE2 PHE A 14 8.791 2.593 -2.537 1.00 0.00 H new ATOM 0 HZ PHE A 14 9.975 4.707 -2.974 1.00 0.00 H new ATOM 177 N GLN A 15 12.944 -2.141 -0.031 1.00 0.00 N ATOM 178 CA GLN A 15 13.212 -3.539 0.284 1.00 0.00 C ATOM 179 C GLN A 15 12.218 -4.457 -0.419 1.00 0.00 C ATOM 180 O GLN A 15 11.324 -3.994 -1.128 1.00 0.00 O ATOM 181 CB GLN A 15 13.150 -3.764 1.796 1.00 0.00 C ATOM 182 CG GLN A 15 14.358 -3.220 2.542 1.00 0.00 C ATOM 183 CD GLN A 15 14.474 -3.776 3.948 1.00 0.00 C ATOM 184 OE1 GLN A 15 13.648 -4.581 4.380 1.00 0.00 O ATOM 185 NE2 GLN A 15 15.503 -3.349 4.671 1.00 0.00 N ATOM 0 H GLN A 15 12.037 -1.803 0.289 1.00 0.00 H new ATOM 0 HA GLN A 15 14.214 -3.779 -0.072 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.249 -3.293 2.188 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.063 -4.833 1.993 1.00 0.00 H new ATOM 0 HG2 GLN A 15 15.263 -3.460 1.984 1.00 0.00 H new ATOM 0 HG3 GLN A 15 14.292 -2.133 2.589 1.00 0.00 H new ATOM 0 HE21 GLN A 15 16.164 -2.681 4.273 1.00 0.00 H new ATOM 0 HE22 GLN A 15 15.633 -3.689 5.624 1.00 0.00 H new ATOM 194 N LYS A 16 12.380 -5.760 -0.219 1.00 0.00 N ATOM 195 CA LYS A 16 11.496 -6.744 -0.834 1.00 0.00 C ATOM 196 C LYS A 16 10.524 -7.319 0.192 1.00 0.00 C ATOM 197 O LYS A 16 10.821 -7.364 1.387 1.00 0.00 O ATOM 198 CB LYS A 16 12.315 -7.873 -1.463 1.00 0.00 C ATOM 199 CG LYS A 16 12.877 -7.528 -2.832 1.00 0.00 C ATOM 200 CD LYS A 16 14.174 -8.269 -3.106 1.00 0.00 C ATOM 201 CE LYS A 16 15.334 -7.668 -2.326 1.00 0.00 C ATOM 202 NZ LYS A 16 16.443 -8.645 -2.141 1.00 0.00 N ATOM 0 H LYS A 16 13.115 -6.160 0.364 1.00 0.00 H new ATOM 0 HA LYS A 16 10.921 -6.242 -1.612 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.138 -8.129 -0.796 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.688 -8.760 -1.550 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.145 -7.778 -3.600 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.051 -6.454 -2.895 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.058 -9.319 -2.837 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.395 -8.236 -4.173 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.708 -6.789 -2.851 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.981 -7.331 -1.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.214 -8.198 -1.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.093 -9.473 -1.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.798 -8.948 -3.071 1.00 0.00 H new ATOM 216 N LYS A 17 9.363 -7.757 -0.280 1.00 0.00 N ATOM 217 CA LYS A 17 8.347 -8.331 0.595 1.00 0.00 C ATOM 218 C LYS A 17 7.784 -7.275 1.540 1.00 0.00 C ATOM 219 O LYS A 17 7.286 -7.597 2.619 1.00 0.00 O ATOM 220 CB LYS A 17 8.937 -9.491 1.401 1.00 0.00 C ATOM 221 CG LYS A 17 9.637 -10.533 0.546 1.00 0.00 C ATOM 222 CD LYS A 17 9.852 -11.828 1.311 1.00 0.00 C ATOM 223 CE LYS A 17 10.308 -12.950 0.390 1.00 0.00 C ATOM 224 NZ LYS A 17 10.283 -14.273 1.073 1.00 0.00 N ATOM 0 H LYS A 17 9.101 -7.726 -1.265 1.00 0.00 H new ATOM 0 HA LYS A 17 7.534 -8.705 -0.028 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.646 -9.094 2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.139 -9.973 1.965 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.044 -10.731 -0.347 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.598 -10.144 0.210 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.596 -11.671 2.092 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.926 -12.117 1.807 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.664 -12.983 -0.489 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.318 -12.742 0.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.600 -15.011 0.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.917 -14.250 1.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.314 -14.483 1.387 1.00 0.00 H new ATOM 238 N MET A 18 7.863 -6.015 1.127 1.00 0.00 N ATOM 239 CA MET A 18 7.358 -4.912 1.937 1.00 0.00 C ATOM 240 C MET A 18 6.160 -4.248 1.264 1.00 0.00 C ATOM 241 O MET A 18 5.683 -4.709 0.227 1.00 0.00 O ATOM 242 CB MET A 18 8.461 -3.879 2.175 1.00 0.00 C ATOM 243 CG MET A 18 8.731 -2.989 0.973 1.00 0.00 C ATOM 244 SD MET A 18 9.610 -1.478 1.412 1.00 0.00 S ATOM 245 CE MET A 18 9.628 -0.627 -0.165 1.00 0.00 C ATOM 0 H MET A 18 8.272 -5.732 0.236 1.00 0.00 H new ATOM 0 HA MET A 18 7.036 -5.316 2.897 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.185 -3.254 3.024 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.381 -4.398 2.446 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.315 -3.544 0.239 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.785 -2.729 0.498 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.751 0.443 0.001 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.456 -0.998 -0.769 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.688 -0.808 -0.687 1.00 0.00 H new ATOM 255 N LYS A 19 5.679 -3.163 1.861 1.00 0.00 N ATOM 256 CA LYS A 19 4.538 -2.434 1.320 1.00 0.00 C ATOM 257 C LYS A 19 4.933 -1.012 0.935 1.00 0.00 C ATOM 258 O LYS A 19 5.756 -0.384 1.602 1.00 0.00 O ATOM 259 CB LYS A 19 3.398 -2.400 2.341 1.00 0.00 C ATOM 260 CG LYS A 19 2.702 -3.738 2.521 1.00 0.00 C ATOM 261 CD LYS A 19 2.049 -4.204 1.230 1.00 0.00 C ATOM 262 CE LYS A 19 0.818 -5.054 1.504 1.00 0.00 C ATOM 263 NZ LYS A 19 1.170 -6.352 2.143 1.00 0.00 N ATOM 0 H LYS A 19 6.062 -2.769 2.720 1.00 0.00 H new ATOM 0 HA LYS A 19 4.199 -2.953 0.423 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.793 -2.073 3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.664 -1.657 2.029 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.424 -4.483 2.854 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.947 -3.654 3.302 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.769 -3.338 0.630 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.767 -4.779 0.645 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.134 -4.505 2.151 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.291 -5.241 0.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.304 -6.901 2.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.802 -6.888 1.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.651 -6.174 3.048 1.00 0.00 H new ATOM 277 N LEU A 20 4.342 -0.510 -0.143 1.00 0.00 N ATOM 278 CA LEU A 20 4.631 0.839 -0.616 1.00 0.00 C ATOM 279 C LEU A 20 3.491 1.370 -1.480 1.00 0.00 C ATOM 280 O LEU A 20 2.815 0.606 -2.168 1.00 0.00 O ATOM 281 CB LEU A 20 5.938 0.853 -1.410 1.00 0.00 C ATOM 282 CG LEU A 20 5.807 0.657 -2.921 1.00 0.00 C ATOM 283 CD1 LEU A 20 5.549 1.988 -3.611 1.00 0.00 C ATOM 284 CD2 LEU A 20 7.057 -0.004 -3.484 1.00 0.00 C ATOM 0 H LEU A 20 3.659 -1.017 -0.706 1.00 0.00 H new ATOM 0 HA LEU A 20 4.735 1.488 0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.440 1.804 -1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.587 0.070 -1.017 1.00 0.00 H new ATOM 0 HG LEU A 20 4.957 0.001 -3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.459 1.829 -4.686 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.625 2.423 -3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.378 2.667 -3.413 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.946 -0.136 -4.560 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.924 0.626 -3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.198 -0.976 -3.012 1.00 0.00 H new ATOM 296 N GLU A 21 3.287 2.682 -1.441 1.00 0.00 N ATOM 297 CA GLU A 21 2.230 3.314 -2.222 1.00 0.00 C ATOM 298 C GLU A 21 2.750 3.747 -3.590 1.00 0.00 C ATOM 299 O GLU A 21 3.872 4.237 -3.714 1.00 0.00 O ATOM 300 CB GLU A 21 1.664 4.523 -1.473 1.00 0.00 C ATOM 301 CG GLU A 21 0.487 4.185 -0.574 1.00 0.00 C ATOM 302 CD GLU A 21 -0.507 3.253 -1.240 1.00 0.00 C ATOM 303 OE1 GLU A 21 -0.720 3.391 -2.463 1.00 0.00 O ATOM 304 OE2 GLU A 21 -1.072 2.388 -0.539 1.00 0.00 O ATOM 0 H GLU A 21 3.839 3.328 -0.877 1.00 0.00 H new ATOM 0 HA GLU A 21 1.435 2.583 -2.369 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.455 4.969 -0.870 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.353 5.276 -2.197 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.855 3.723 0.342 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.021 5.105 -0.285 1.00 0.00 H new ATOM 311 N VAL A 22 1.924 3.564 -4.615 1.00 0.00 N ATOM 312 CA VAL A 22 2.298 3.935 -5.974 1.00 0.00 C ATOM 313 C VAL A 22 1.165 4.680 -6.672 1.00 0.00 C ATOM 314 O VAL A 22 -0.004 4.316 -6.542 1.00 0.00 O ATOM 315 CB VAL A 22 2.677 2.698 -6.811 1.00 0.00 C ATOM 316 CG1 VAL A 22 3.097 3.110 -8.213 1.00 0.00 C ATOM 317 CG2 VAL A 22 3.782 1.910 -6.124 1.00 0.00 C ATOM 0 H VAL A 22 0.991 3.161 -4.530 1.00 0.00 H new ATOM 0 HA VAL A 22 3.166 4.590 -5.895 1.00 0.00 H new ATOM 0 HB VAL A 22 1.801 2.055 -6.895 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.361 2.223 -8.789 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.272 3.628 -8.702 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.959 3.774 -8.154 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.038 1.040 -6.728 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.662 2.543 -6.008 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.439 1.582 -5.143 1.00 0.00 H new ATOM 327 N VAL A 23 1.520 5.724 -7.414 1.00 0.00 N ATOM 328 CA VAL A 23 0.533 6.520 -8.135 1.00 0.00 C ATOM 329 C VAL A 23 0.143 5.853 -9.449 1.00 0.00 C ATOM 330 O VAL A 23 0.983 5.643 -10.324 1.00 0.00 O ATOM 331 CB VAL A 23 1.061 7.937 -8.428 1.00 0.00 C ATOM 332 CG1 VAL A 23 0.050 8.725 -9.247 1.00 0.00 C ATOM 333 CG2 VAL A 23 1.390 8.662 -7.132 1.00 0.00 C ATOM 0 H VAL A 23 2.483 6.038 -7.532 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.345 6.593 -7.493 1.00 0.00 H new ATOM 0 HB VAL A 23 1.977 7.850 -9.012 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.440 9.723 -9.444 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.131 8.213 -10.192 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.885 8.804 -8.692 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.762 9.661 -7.358 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.491 8.739 -6.520 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.153 8.106 -6.588 1.00 0.00 H new ATOM 343 N ASP A 24 -1.137 5.522 -9.581 1.00 0.00 N ATOM 344 CA ASP A 24 -1.640 4.880 -10.789 1.00 0.00 C ATOM 345 C ASP A 24 -1.241 5.670 -12.031 1.00 0.00 C ATOM 346 O ASP A 24 -1.657 6.814 -12.213 1.00 0.00 O ATOM 347 CB ASP A 24 -3.162 4.743 -10.724 1.00 0.00 C ATOM 348 CG ASP A 24 -3.668 3.531 -11.482 1.00 0.00 C ATOM 349 OD1 ASP A 24 -3.752 3.602 -12.726 1.00 0.00 O ATOM 350 OD2 ASP A 24 -3.977 2.512 -10.831 1.00 0.00 O ATOM 0 H ASP A 24 -1.845 5.688 -8.866 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.196 3.887 -10.854 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.473 4.672 -9.682 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.622 5.642 -11.133 1.00 0.00 H new ATOM 355 N LYS A 25 -0.429 5.053 -12.884 1.00 0.00 N ATOM 356 CA LYS A 25 0.027 5.697 -14.109 1.00 0.00 C ATOM 357 C LYS A 25 -1.138 6.343 -14.851 1.00 0.00 C ATOM 358 O LYS A 25 -1.139 7.550 -15.094 1.00 0.00 O ATOM 359 CB LYS A 25 0.722 4.679 -15.017 1.00 0.00 C ATOM 360 CG LYS A 25 1.411 3.558 -14.258 1.00 0.00 C ATOM 361 CD LYS A 25 2.315 4.099 -13.163 1.00 0.00 C ATOM 362 CE LYS A 25 3.421 4.972 -13.735 1.00 0.00 C ATOM 363 NZ LYS A 25 3.027 6.407 -13.783 1.00 0.00 N ATOM 0 H LYS A 25 -0.073 4.107 -12.748 1.00 0.00 H new ATOM 0 HA LYS A 25 0.738 6.477 -13.836 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.014 4.248 -15.696 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.458 5.196 -15.632 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.661 2.900 -13.820 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.998 2.955 -14.951 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.723 4.678 -12.454 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.754 3.269 -12.609 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.320 4.863 -13.129 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.670 4.630 -14.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.880 7.002 -13.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.497 6.592 -14.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.429 6.630 -12.962 1.00 0.00 H new ATOM 377 N ARG A 26 -2.130 5.533 -15.207 1.00 0.00 N ATOM 378 CA ARG A 26 -3.301 6.026 -15.921 1.00 0.00 C ATOM 379 C ARG A 26 -4.071 7.033 -15.072 1.00 0.00 C ATOM 380 O ARG A 26 -4.726 7.932 -15.599 1.00 0.00 O ATOM 381 CB ARG A 26 -4.217 4.863 -16.307 1.00 0.00 C ATOM 382 CG ARG A 26 -3.489 3.536 -16.451 1.00 0.00 C ATOM 383 CD ARG A 26 -4.338 2.512 -17.187 1.00 0.00 C ATOM 384 NE ARG A 26 -4.881 3.045 -18.433 1.00 0.00 N ATOM 385 CZ ARG A 26 -5.953 2.548 -19.040 1.00 0.00 C ATOM 386 NH1 ARG A 26 -6.594 1.512 -18.518 1.00 0.00 N ATOM 387 NH2 ARG A 26 -6.386 3.088 -20.172 1.00 0.00 N ATOM 0 H ARG A 26 -2.146 4.532 -15.012 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.959 6.526 -16.827 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.997 4.760 -15.552 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -4.713 5.099 -17.248 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -2.554 3.689 -16.989 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.229 3.153 -15.464 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.736 1.629 -17.402 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.157 2.190 -16.543 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.411 3.843 -18.861 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.264 1.094 -17.648 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.417 1.133 -18.986 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.896 3.885 -20.577 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.209 2.706 -20.637 1.00 0.00 H new ATOM 401 N ASN A 27 -3.986 6.876 -13.755 1.00 0.00 N ATOM 402 CA ASN A 27 -4.676 7.771 -12.833 1.00 0.00 C ATOM 403 C ASN A 27 -3.703 8.357 -11.814 1.00 0.00 C ATOM 404 O ASN A 27 -3.453 7.781 -10.754 1.00 0.00 O ATOM 405 CB ASN A 27 -5.800 7.026 -12.111 1.00 0.00 C ATOM 406 CG ASN A 27 -7.114 7.090 -12.866 1.00 0.00 C ATOM 407 OD1 ASN A 27 -7.740 6.065 -13.133 1.00 0.00 O ATOM 408 ND2 ASN A 27 -7.538 8.300 -13.213 1.00 0.00 N ATOM 0 H ASN A 27 -3.447 6.138 -13.302 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.105 8.589 -13.412 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.513 5.983 -11.975 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.934 7.452 -11.117 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.416 8.406 -13.722 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.986 9.123 -12.971 1.00 0.00 H new ATOM 415 N PRO A 28 -3.140 9.530 -12.139 1.00 0.00 N ATOM 416 CA PRO A 28 -2.187 10.220 -11.266 1.00 0.00 C ATOM 417 C PRO A 28 -2.849 10.775 -10.009 1.00 0.00 C ATOM 418 O PRO A 28 -2.175 11.293 -9.118 1.00 0.00 O ATOM 419 CB PRO A 28 -1.664 11.361 -12.142 1.00 0.00 C ATOM 420 CG PRO A 28 -2.752 11.609 -13.129 1.00 0.00 C ATOM 421 CD PRO A 28 -3.392 10.273 -13.385 1.00 0.00 C ATOM 0 HA PRO A 28 -1.407 9.550 -10.905 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.456 12.252 -11.549 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.734 11.085 -12.639 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.479 12.321 -12.738 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.354 12.034 -14.050 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.459 10.370 -13.586 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.949 9.774 -14.247 1.00 0.00 H new ATOM 429 N MET A 29 -4.171 10.663 -9.944 1.00 0.00 N ATOM 430 CA MET A 29 -4.924 11.152 -8.794 1.00 0.00 C ATOM 431 C MET A 29 -5.406 9.994 -7.927 1.00 0.00 C ATOM 432 O MET A 29 -6.232 10.177 -7.033 1.00 0.00 O ATOM 433 CB MET A 29 -6.117 11.989 -9.258 1.00 0.00 C ATOM 434 CG MET A 29 -5.720 13.264 -9.985 1.00 0.00 C ATOM 435 SD MET A 29 -6.992 13.836 -11.128 1.00 0.00 S ATOM 436 CE MET A 29 -6.006 14.788 -12.282 1.00 0.00 C ATOM 0 H MET A 29 -4.744 10.238 -10.673 1.00 0.00 H new ATOM 0 HA MET A 29 -4.261 11.778 -8.196 1.00 0.00 H new ATOM 0 HB2 MET A 29 -6.740 11.384 -9.917 1.00 0.00 H new ATOM 0 HB3 MET A 29 -6.726 12.249 -8.392 1.00 0.00 H new ATOM 0 HG2 MET A 29 -5.516 14.046 -9.254 1.00 0.00 H new ATOM 0 HG3 MET A 29 -4.794 13.091 -10.534 1.00 0.00 H new ATOM 0 HE1 MET A 29 -6.652 15.208 -13.052 1.00 0.00 H new ATOM 0 HE2 MET A 29 -5.502 15.595 -11.751 1.00 0.00 H new ATOM 0 HE3 MET A 29 -5.262 14.140 -12.746 1.00 0.00 H new ATOM 446 N PHE A 30 -4.885 8.801 -8.197 1.00 0.00 N ATOM 447 CA PHE A 30 -5.264 7.613 -7.442 1.00 0.00 C ATOM 448 C PHE A 30 -4.038 6.772 -7.100 1.00 0.00 C ATOM 449 O PHE A 30 -3.254 6.412 -7.979 1.00 0.00 O ATOM 450 CB PHE A 30 -6.266 6.774 -8.239 1.00 0.00 C ATOM 451 CG PHE A 30 -7.667 7.313 -8.195 1.00 0.00 C ATOM 452 CD1 PHE A 30 -8.291 7.561 -6.983 1.00 0.00 C ATOM 453 CD2 PHE A 30 -8.361 7.570 -9.367 1.00 0.00 C ATOM 454 CE1 PHE A 30 -9.580 8.056 -6.940 1.00 0.00 C ATOM 455 CE2 PHE A 30 -9.651 8.066 -9.329 1.00 0.00 C ATOM 456 CZ PHE A 30 -10.261 8.309 -8.114 1.00 0.00 C ATOM 0 H PHE A 30 -4.199 8.632 -8.933 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.731 7.938 -6.512 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.938 6.720 -9.277 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.265 5.755 -7.851 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.764 7.365 -6.061 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.889 7.381 -10.320 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.055 8.245 -5.989 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.181 8.263 -10.249 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.269 8.696 -8.082 1.00 0.00 H new ATOM 466 N ILE A 31 -3.879 6.463 -5.818 1.00 0.00 N ATOM 467 CA ILE A 31 -2.749 5.664 -5.359 1.00 0.00 C ATOM 468 C ILE A 31 -3.221 4.404 -4.642 1.00 0.00 C ATOM 469 O ILE A 31 -4.184 4.438 -3.876 1.00 0.00 O ATOM 470 CB ILE A 31 -1.838 6.469 -4.413 1.00 0.00 C ATOM 471 CG1 ILE A 31 -1.419 7.785 -5.071 1.00 0.00 C ATOM 472 CG2 ILE A 31 -0.615 5.648 -4.031 1.00 0.00 C ATOM 473 CD1 ILE A 31 -1.126 8.890 -4.079 1.00 0.00 C ATOM 0 H ILE A 31 -4.518 6.754 -5.078 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.181 5.383 -6.246 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.395 6.700 -3.505 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.533 7.611 -5.681 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.210 8.113 -5.745 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.019 6.230 -3.362 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.932 4.735 -3.527 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.055 5.390 -4.930 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.835 9.793 -4.616 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.018 9.092 -3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.314 8.582 -3.421 1.00 0.00 H new ATOM 485 N ARG A 32 -2.536 3.294 -4.895 1.00 0.00 N ATOM 486 CA ARG A 32 -2.885 2.022 -4.274 1.00 0.00 C ATOM 487 C ARG A 32 -1.650 1.350 -3.680 1.00 0.00 C ATOM 488 O ARG A 32 -0.529 1.571 -4.139 1.00 0.00 O ATOM 489 CB ARG A 32 -3.542 1.094 -5.296 1.00 0.00 C ATOM 490 CG ARG A 32 -4.830 1.648 -5.883 1.00 0.00 C ATOM 491 CD ARG A 32 -5.195 0.951 -7.184 1.00 0.00 C ATOM 492 NE ARG A 32 -6.390 1.526 -7.797 1.00 0.00 N ATOM 493 CZ ARG A 32 -6.383 2.642 -8.516 1.00 0.00 C ATOM 494 NH1 ARG A 32 -5.249 3.301 -8.712 1.00 0.00 N ATOM 495 NH2 ARG A 32 -7.511 3.102 -9.041 1.00 0.00 N ATOM 0 H ARG A 32 -1.736 3.250 -5.526 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.592 2.222 -3.469 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.837 0.902 -6.105 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.752 0.135 -4.821 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.640 1.526 -5.164 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.719 2.718 -6.061 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.360 1.023 -7.881 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.360 -0.109 -6.993 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.279 1.043 -7.665 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.380 2.951 -8.310 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.246 4.158 -9.265 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.385 2.598 -8.892 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.504 3.960 -9.593 1.00 0.00 H new ATOM 509 N VAL A 33 -1.863 0.529 -2.657 1.00 0.00 N ATOM 510 CA VAL A 33 -0.769 -0.176 -2.001 1.00 0.00 C ATOM 511 C VAL A 33 -0.064 -1.119 -2.970 1.00 0.00 C ATOM 512 O VAL A 33 -0.690 -1.694 -3.859 1.00 0.00 O ATOM 513 CB VAL A 33 -1.268 -0.983 -0.788 1.00 0.00 C ATOM 514 CG1 VAL A 33 -0.141 -1.823 -0.206 1.00 0.00 C ATOM 515 CG2 VAL A 33 -1.850 -0.054 0.266 1.00 0.00 C ATOM 0 H VAL A 33 -2.784 0.336 -2.264 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.065 0.582 -1.658 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.057 -1.657 -1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.512 -2.386 0.650 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.226 -2.515 -0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.672 -1.170 0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.198 -0.641 1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.083 0.646 0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.687 0.500 -0.159 1.00 0.00 H new ATOM 525 N ALA A 34 1.244 -1.273 -2.791 1.00 0.00 N ATOM 526 CA ALA A 34 2.035 -2.149 -3.647 1.00 0.00 C ATOM 527 C ALA A 34 2.919 -3.074 -2.819 1.00 0.00 C ATOM 528 O ALA A 34 3.006 -2.940 -1.598 1.00 0.00 O ATOM 529 CB ALA A 34 2.881 -1.325 -4.606 1.00 0.00 C ATOM 0 H ALA A 34 1.778 -0.802 -2.061 1.00 0.00 H new ATOM 0 HA ALA A 34 1.349 -2.768 -4.225 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.467 -1.991 -5.239 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.231 -0.711 -5.229 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.553 -0.681 -4.038 1.00 0.00 H new ATOM 535 N THR A 35 3.576 -4.016 -3.490 1.00 0.00 N ATOM 536 CA THR A 35 4.452 -4.965 -2.816 1.00 0.00 C ATOM 537 C THR A 35 5.741 -5.177 -3.602 1.00 0.00 C ATOM 538 O THR A 35 5.728 -5.743 -4.695 1.00 0.00 O ATOM 539 CB THR A 35 3.758 -6.325 -2.613 1.00 0.00 C ATOM 540 OG1 THR A 35 2.520 -6.144 -1.918 1.00 0.00 O ATOM 541 CG2 THR A 35 4.651 -7.276 -1.831 1.00 0.00 C ATOM 0 H THR A 35 3.517 -4.141 -4.501 1.00 0.00 H new ATOM 0 HA THR A 35 4.690 -4.538 -1.842 1.00 0.00 H new ATOM 0 HB THR A 35 3.563 -6.759 -3.594 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.084 -7.013 -1.794 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.140 -8.230 -1.700 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.581 -7.434 -2.378 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.873 -6.846 -0.854 1.00 0.00 H new ATOM 549 N VAL A 36 6.855 -4.719 -3.038 1.00 0.00 N ATOM 550 CA VAL A 36 8.153 -4.860 -3.686 1.00 0.00 C ATOM 551 C VAL A 36 8.522 -6.329 -3.863 1.00 0.00 C ATOM 552 O VAL A 36 8.912 -7.001 -2.909 1.00 0.00 O ATOM 553 CB VAL A 36 9.262 -4.158 -2.880 1.00 0.00 C ATOM 554 CG1 VAL A 36 10.567 -4.148 -3.662 1.00 0.00 C ATOM 555 CG2 VAL A 36 8.839 -2.743 -2.514 1.00 0.00 C ATOM 0 H VAL A 36 6.884 -4.247 -2.134 1.00 0.00 H new ATOM 0 HA VAL A 36 8.071 -4.388 -4.665 1.00 0.00 H new ATOM 0 HB VAL A 36 9.424 -4.715 -1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.338 -3.648 -3.076 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.875 -5.173 -3.868 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.424 -3.616 -4.602 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.634 -2.261 -1.945 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.648 -2.174 -3.424 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.932 -2.779 -1.911 1.00 0.00 H new ATOM 565 N ALA A 37 8.397 -6.821 -5.092 1.00 0.00 N ATOM 566 CA ALA A 37 8.719 -8.209 -5.395 1.00 0.00 C ATOM 567 C ALA A 37 10.213 -8.384 -5.647 1.00 0.00 C ATOM 568 O ALA A 37 10.820 -9.354 -5.193 1.00 0.00 O ATOM 569 CB ALA A 37 7.919 -8.686 -6.599 1.00 0.00 C ATOM 0 H ALA A 37 8.075 -6.278 -5.893 1.00 0.00 H new ATOM 0 HA ALA A 37 8.450 -8.815 -4.530 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.170 -9.725 -6.814 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.854 -8.607 -6.382 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.160 -8.068 -7.464 1.00 0.00 H new ATOM 575 N ASP A 38 10.799 -7.439 -6.375 1.00 0.00 N ATOM 576 CA ASP A 38 12.223 -7.488 -6.687 1.00 0.00 C ATOM 577 C ASP A 38 12.805 -6.082 -6.793 1.00 0.00 C ATOM 578 O ASP A 38 12.199 -5.191 -7.390 1.00 0.00 O ATOM 579 CB ASP A 38 12.454 -8.249 -7.993 1.00 0.00 C ATOM 580 CG ASP A 38 13.797 -8.953 -8.024 1.00 0.00 C ATOM 581 OD1 ASP A 38 14.826 -8.261 -8.168 1.00 0.00 O ATOM 582 OD2 ASP A 38 13.817 -10.196 -7.902 1.00 0.00 O ATOM 0 H ASP A 38 10.310 -6.631 -6.760 1.00 0.00 H new ATOM 0 HA ASP A 38 12.730 -8.011 -5.876 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.659 -8.983 -8.128 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.392 -7.554 -8.831 1.00 0.00 H new ATOM 587 N THR A 39 13.983 -5.889 -6.209 1.00 0.00 N ATOM 588 CA THR A 39 14.646 -4.591 -6.236 1.00 0.00 C ATOM 589 C THR A 39 15.873 -4.619 -7.141 1.00 0.00 C ATOM 590 O THR A 39 16.859 -5.293 -6.845 1.00 0.00 O ATOM 591 CB THR A 39 15.073 -4.149 -4.824 1.00 0.00 C ATOM 592 OG1 THR A 39 16.011 -5.086 -4.280 1.00 0.00 O ATOM 593 CG2 THR A 39 13.867 -4.039 -3.903 1.00 0.00 C ATOM 0 H THR A 39 14.498 -6.615 -5.711 1.00 0.00 H new ATOM 0 HA THR A 39 13.924 -3.875 -6.630 1.00 0.00 H new ATOM 0 HB THR A 39 15.542 -3.168 -4.901 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.491 -5.530 -5.010 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.194 -3.725 -2.912 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.169 -3.304 -4.304 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.373 -5.008 -3.833 1.00 0.00 H new ATOM 601 N ASP A 40 15.805 -3.882 -8.244 1.00 0.00 N ATOM 602 CA ASP A 40 16.912 -3.820 -9.191 1.00 0.00 C ATOM 603 C ASP A 40 17.940 -2.780 -8.759 1.00 0.00 C ATOM 604 O ASP A 40 17.784 -2.131 -7.725 1.00 0.00 O ATOM 605 CB ASP A 40 16.394 -3.493 -10.593 1.00 0.00 C ATOM 606 CG ASP A 40 17.326 -3.983 -11.684 1.00 0.00 C ATOM 607 OD1 ASP A 40 17.618 -5.197 -11.713 1.00 0.00 O ATOM 608 OD2 ASP A 40 17.762 -3.153 -12.508 1.00 0.00 O ATOM 0 H ASP A 40 14.995 -3.319 -8.504 1.00 0.00 H new ATOM 0 HA ASP A 40 17.397 -4.796 -9.210 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.411 -3.945 -10.729 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.265 -2.415 -10.687 1.00 0.00 H new ATOM 613 N ASP A 41 18.991 -2.627 -9.557 1.00 0.00 N ATOM 614 CA ASP A 41 20.046 -1.665 -9.258 1.00 0.00 C ATOM 615 C ASP A 41 19.455 -0.345 -8.774 1.00 0.00 C ATOM 616 O ASP A 41 19.765 0.121 -7.677 1.00 0.00 O ATOM 617 CB ASP A 41 20.915 -1.428 -10.494 1.00 0.00 C ATOM 618 CG ASP A 41 21.659 -2.675 -10.927 1.00 0.00 C ATOM 619 OD1 ASP A 41 22.791 -2.888 -10.444 1.00 0.00 O ATOM 620 OD2 ASP A 41 21.110 -3.439 -11.749 1.00 0.00 O ATOM 0 H ASP A 41 19.135 -3.157 -10.416 1.00 0.00 H new ATOM 0 HA ASP A 41 20.666 -2.078 -8.462 1.00 0.00 H new ATOM 0 HB2 ASP A 41 20.287 -1.080 -11.314 1.00 0.00 H new ATOM 0 HB3 ASP A 41 21.633 -0.635 -10.283 1.00 0.00 H new ATOM 625 N HIS A 42 18.604 0.255 -9.601 1.00 0.00 N ATOM 626 CA HIS A 42 17.970 1.523 -9.258 1.00 0.00 C ATOM 627 C HIS A 42 16.473 1.477 -9.544 1.00 0.00 C ATOM 628 O HIS A 42 15.868 2.488 -9.904 1.00 0.00 O ATOM 629 CB HIS A 42 18.616 2.668 -10.039 1.00 0.00 C ATOM 630 CG HIS A 42 20.086 2.487 -10.261 1.00 0.00 C ATOM 631 ND1 HIS A 42 21.044 3.222 -9.594 1.00 0.00 N ATOM 632 CD2 HIS A 42 20.761 1.648 -11.081 1.00 0.00 C ATOM 633 CE1 HIS A 42 22.244 2.843 -9.996 1.00 0.00 C ATOM 634 NE2 HIS A 42 22.100 1.889 -10.898 1.00 0.00 N ATOM 0 H HIS A 42 18.338 -0.117 -10.513 1.00 0.00 H new ATOM 0 HA HIS A 42 18.112 1.695 -8.191 1.00 0.00 H new ATOM 0 HB2 HIS A 42 18.120 2.763 -11.005 1.00 0.00 H new ATOM 0 HB3 HIS A 42 18.450 3.602 -9.502 1.00 0.00 H new ATOM 0 HD2 HIS A 42 20.327 0.924 -11.754 1.00 0.00 H new ATOM 0 HE1 HIS A 42 23.183 3.245 -9.646 1.00 0.00 H new ATOM 0 HE2 HIS A 42 22.860 1.409 -11.380 1.00 0.00 H new ATOM 643 N ARG A 43 15.880 0.299 -9.383 1.00 0.00 N ATOM 644 CA ARG A 43 14.454 0.121 -9.626 1.00 0.00 C ATOM 645 C ARG A 43 13.870 -0.934 -8.691 1.00 0.00 C ATOM 646 O ARG A 43 14.604 -1.643 -8.002 1.00 0.00 O ATOM 647 CB ARG A 43 14.209 -0.282 -11.082 1.00 0.00 C ATOM 648 CG ARG A 43 14.924 0.606 -12.087 1.00 0.00 C ATOM 649 CD ARG A 43 14.273 0.531 -13.459 1.00 0.00 C ATOM 650 NE ARG A 43 15.157 1.021 -14.513 1.00 0.00 N ATOM 651 CZ ARG A 43 14.994 0.738 -15.800 1.00 0.00 C ATOM 652 NH1 ARG A 43 13.985 -0.028 -16.191 1.00 0.00 N ATOM 653 NH2 ARG A 43 15.841 1.222 -16.700 1.00 0.00 N ATOM 0 H ARG A 43 16.366 -0.547 -9.085 1.00 0.00 H new ATOM 0 HA ARG A 43 13.957 1.071 -9.430 1.00 0.00 H new ATOM 0 HB2 ARG A 43 14.534 -1.313 -11.225 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.138 -0.255 -11.283 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.914 1.637 -11.734 1.00 0.00 H new ATOM 0 HG3 ARG A 43 15.969 0.305 -12.162 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.993 -0.501 -13.671 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.353 1.116 -13.456 1.00 0.00 H new ATOM 0 HE ARG A 43 15.943 1.613 -14.246 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.332 -0.401 -15.503 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.862 -0.244 -17.180 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.618 1.812 -16.403 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.715 1.004 -17.688 1.00 0.00 H new ATOM 667 N VAL A 44 12.544 -1.032 -8.671 1.00 0.00 N ATOM 668 CA VAL A 44 11.862 -2.000 -7.821 1.00 0.00 C ATOM 669 C VAL A 44 10.517 -2.402 -8.416 1.00 0.00 C ATOM 670 O VAL A 44 9.630 -1.567 -8.595 1.00 0.00 O ATOM 671 CB VAL A 44 11.637 -1.442 -6.403 1.00 0.00 C ATOM 672 CG1 VAL A 44 12.968 -1.178 -5.716 1.00 0.00 C ATOM 673 CG2 VAL A 44 10.795 -0.176 -6.456 1.00 0.00 C ATOM 0 H VAL A 44 11.921 -0.453 -9.234 1.00 0.00 H new ATOM 0 HA VAL A 44 12.506 -2.877 -7.760 1.00 0.00 H new ATOM 0 HB VAL A 44 11.096 -2.187 -5.820 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.789 -0.784 -4.715 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.531 -2.108 -5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.539 -0.452 -6.295 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.646 0.204 -5.445 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.307 0.577 -7.055 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.828 -0.401 -6.905 1.00 0.00 H new ATOM 683 N LYS A 45 10.371 -3.687 -8.721 1.00 0.00 N ATOM 684 CA LYS A 45 9.134 -4.202 -9.295 1.00 0.00 C ATOM 685 C LYS A 45 7.988 -4.107 -8.292 1.00 0.00 C ATOM 686 O LYS A 45 7.904 -4.900 -7.354 1.00 0.00 O ATOM 687 CB LYS A 45 9.319 -5.655 -9.737 1.00 0.00 C ATOM 688 CG LYS A 45 8.224 -6.153 -10.664 1.00 0.00 C ATOM 689 CD LYS A 45 8.625 -7.443 -11.359 1.00 0.00 C ATOM 690 CE LYS A 45 7.897 -7.612 -12.684 1.00 0.00 C ATOM 691 NZ LYS A 45 6.429 -7.771 -12.495 1.00 0.00 N ATOM 0 H LYS A 45 11.095 -4.391 -8.580 1.00 0.00 H new ATOM 0 HA LYS A 45 8.885 -3.593 -10.164 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.281 -5.753 -10.239 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.354 -6.293 -8.854 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.309 -6.315 -10.094 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.003 -5.390 -11.410 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.701 -7.445 -11.531 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.404 -8.291 -10.711 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.090 -6.746 -13.317 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.292 -8.483 -13.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.943 -7.613 -13.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.225 -8.733 -12.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.092 -7.079 -11.796 1.00 0.00 H new ATOM 705 N VAL A 46 7.107 -3.133 -8.497 1.00 0.00 N ATOM 706 CA VAL A 46 5.965 -2.937 -7.612 1.00 0.00 C ATOM 707 C VAL A 46 4.769 -3.766 -8.066 1.00 0.00 C ATOM 708 O VAL A 46 4.195 -3.518 -9.127 1.00 0.00 O ATOM 709 CB VAL A 46 5.553 -1.454 -7.549 1.00 0.00 C ATOM 710 CG1 VAL A 46 6.576 -0.649 -6.762 1.00 0.00 C ATOM 711 CG2 VAL A 46 5.381 -0.889 -8.950 1.00 0.00 C ATOM 0 H VAL A 46 7.162 -2.468 -9.268 1.00 0.00 H new ATOM 0 HA VAL A 46 6.274 -3.264 -6.619 1.00 0.00 H new ATOM 0 HB VAL A 46 4.595 -1.382 -7.034 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.268 0.396 -6.728 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.644 -1.040 -5.747 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.550 -0.725 -7.246 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.090 0.159 -8.886 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.322 -0.972 -9.494 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.608 -1.449 -9.476 1.00 0.00 H new ATOM 721 N HIS A 47 4.398 -4.753 -7.256 1.00 0.00 N ATOM 722 CA HIS A 47 3.269 -5.619 -7.574 1.00 0.00 C ATOM 723 C HIS A 47 2.029 -5.206 -6.788 1.00 0.00 C ATOM 724 O HIS A 47 2.008 -5.277 -5.559 1.00 0.00 O ATOM 725 CB HIS A 47 3.617 -7.077 -7.271 1.00 0.00 C ATOM 726 CG HIS A 47 2.421 -7.977 -7.209 1.00 0.00 C ATOM 727 ND1 HIS A 47 2.159 -8.945 -8.156 1.00 0.00 N ATOM 728 CD2 HIS A 47 1.416 -8.054 -6.306 1.00 0.00 C ATOM 729 CE1 HIS A 47 1.043 -9.577 -7.838 1.00 0.00 C ATOM 730 NE2 HIS A 47 0.573 -9.056 -6.720 1.00 0.00 N ATOM 0 H HIS A 47 4.863 -4.972 -6.375 1.00 0.00 H new ATOM 0 HA HIS A 47 3.053 -5.518 -8.638 1.00 0.00 H new ATOM 0 HB2 HIS A 47 4.300 -7.446 -8.036 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.148 -7.125 -6.320 1.00 0.00 H new ATOM 0 HD1 HIS A 47 2.736 -9.142 -8.974 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.299 -7.442 -5.424 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.592 -10.383 -8.398 1.00 0.00 H new ATOM 739 N PHE A 48 0.997 -4.773 -7.504 1.00 0.00 N ATOM 740 CA PHE A 48 -0.247 -4.346 -6.874 1.00 0.00 C ATOM 741 C PHE A 48 -1.056 -5.549 -6.398 1.00 0.00 C ATOM 742 O PHE A 48 -1.648 -6.270 -7.202 1.00 0.00 O ATOM 743 CB PHE A 48 -1.078 -3.511 -7.850 1.00 0.00 C ATOM 744 CG PHE A 48 -0.540 -2.125 -8.063 1.00 0.00 C ATOM 745 CD1 PHE A 48 0.761 -1.932 -8.498 1.00 0.00 C ATOM 746 CD2 PHE A 48 -1.335 -1.015 -7.828 1.00 0.00 C ATOM 747 CE1 PHE A 48 1.260 -0.658 -8.695 1.00 0.00 C ATOM 748 CE2 PHE A 48 -0.843 0.261 -8.024 1.00 0.00 C ATOM 749 CZ PHE A 48 0.457 0.440 -8.457 1.00 0.00 C ATOM 0 H PHE A 48 0.997 -4.708 -8.522 1.00 0.00 H new ATOM 0 HA PHE A 48 0.005 -3.734 -6.008 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.123 -4.026 -8.810 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.100 -3.442 -7.478 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.393 -2.787 -8.686 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.351 -1.149 -7.488 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.276 -0.522 -9.034 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.474 1.118 -7.839 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.844 1.437 -8.609 1.00 0.00 H new ATOM 759 N ASP A 49 -1.077 -5.759 -5.086 1.00 0.00 N ATOM 760 CA ASP A 49 -1.813 -6.873 -4.502 1.00 0.00 C ATOM 761 C ASP A 49 -3.188 -7.014 -5.148 1.00 0.00 C ATOM 762 O ASP A 49 -3.951 -6.052 -5.225 1.00 0.00 O ATOM 763 CB ASP A 49 -1.963 -6.678 -2.993 1.00 0.00 C ATOM 764 CG ASP A 49 -2.423 -7.940 -2.289 1.00 0.00 C ATOM 765 OD1 ASP A 49 -2.096 -9.043 -2.774 1.00 0.00 O ATOM 766 OD2 ASP A 49 -3.108 -7.824 -1.252 1.00 0.00 O ATOM 0 H ASP A 49 -0.592 -5.172 -4.407 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.248 -7.787 -4.688 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.009 -6.359 -2.574 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.678 -5.878 -2.802 1.00 0.00 H new ATOM 771 N GLY A 50 -3.498 -8.221 -5.613 1.00 0.00 N ATOM 772 CA GLY A 50 -4.780 -8.466 -6.247 1.00 0.00 C ATOM 773 C GLY A 50 -4.748 -8.200 -7.739 1.00 0.00 C ATOM 774 O GLY A 50 -5.026 -9.092 -8.541 1.00 0.00 O ATOM 0 H GLY A 50 -2.884 -9.034 -5.562 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.077 -9.500 -6.071 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.538 -7.834 -5.784 1.00 0.00 H new ATOM 778 N TRP A 51 -4.411 -6.971 -8.112 1.00 0.00 N ATOM 779 CA TRP A 51 -4.347 -6.589 -9.518 1.00 0.00 C ATOM 780 C TRP A 51 -3.569 -7.622 -10.327 1.00 0.00 C ATOM 781 O TRP A 51 -2.492 -8.058 -9.923 1.00 0.00 O ATOM 782 CB TRP A 51 -3.696 -5.213 -9.666 1.00 0.00 C ATOM 783 CG TRP A 51 -4.538 -4.097 -9.127 1.00 0.00 C ATOM 784 CD1 TRP A 51 -4.711 -3.760 -7.815 1.00 0.00 C ATOM 785 CD2 TRP A 51 -5.324 -3.173 -9.888 1.00 0.00 C ATOM 786 NE1 TRP A 51 -5.557 -2.682 -7.714 1.00 0.00 N ATOM 787 CE2 TRP A 51 -5.946 -2.302 -8.971 1.00 0.00 C ATOM 788 CE3 TRP A 51 -5.561 -2.994 -11.253 1.00 0.00 C ATOM 789 CZ2 TRP A 51 -6.789 -1.272 -9.379 1.00 0.00 C ATOM 790 CZ3 TRP A 51 -6.398 -1.972 -11.656 1.00 0.00 C ATOM 791 CH2 TRP A 51 -7.004 -1.120 -10.722 1.00 0.00 C ATOM 0 H TRP A 51 -4.178 -6.222 -7.460 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.366 -6.544 -9.903 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -2.736 -5.216 -9.150 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -3.491 -5.027 -10.720 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -4.251 -4.266 -6.980 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -5.848 -2.237 -6.844 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -5.098 -3.644 -11.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.257 -0.616 -8.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -6.589 -1.827 -12.709 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -7.653 -0.329 -11.069 1.00 0.00 H new ATOM 802 N ASN A 52 -4.123 -8.010 -11.471 1.00 0.00 N ATOM 803 CA ASN A 52 -3.481 -8.993 -12.337 1.00 0.00 C ATOM 804 C ASN A 52 -1.976 -8.751 -12.411 1.00 0.00 C ATOM 805 O ASN A 52 -1.528 -7.632 -12.655 1.00 0.00 O ATOM 806 CB ASN A 52 -4.086 -8.940 -13.741 1.00 0.00 C ATOM 807 CG ASN A 52 -5.363 -9.751 -13.851 1.00 0.00 C ATOM 808 OD1 ASN A 52 -6.046 -9.993 -12.855 1.00 0.00 O ATOM 809 ND2 ASN A 52 -5.691 -10.177 -15.065 1.00 0.00 N ATOM 0 H ASN A 52 -5.015 -7.659 -11.820 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.653 -9.982 -11.912 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.293 -7.903 -14.005 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.358 -9.313 -14.462 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.538 -10.728 -15.200 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.096 -9.953 -15.862 1.00 0.00 H new ATOM 816 N ASN A 53 -1.201 -9.810 -12.197 1.00 0.00 N ATOM 817 CA ASN A 53 0.253 -9.714 -12.240 1.00 0.00 C ATOM 818 C ASN A 53 0.708 -8.854 -13.416 1.00 0.00 C ATOM 819 O ASN A 53 1.589 -8.006 -13.274 1.00 0.00 O ATOM 820 CB ASN A 53 0.875 -11.108 -12.343 1.00 0.00 C ATOM 821 CG ASN A 53 0.186 -12.116 -11.443 1.00 0.00 C ATOM 822 OD1 ASN A 53 0.475 -12.198 -10.249 1.00 0.00 O ATOM 823 ND2 ASN A 53 -0.731 -12.889 -12.013 1.00 0.00 N ATOM 0 H ASN A 53 -1.556 -10.744 -11.992 1.00 0.00 H new ATOM 0 HA ASN A 53 0.587 -9.241 -11.316 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.822 -11.451 -13.376 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.931 -11.052 -12.080 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.228 -13.585 -11.457 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.939 -12.786 -13.006 1.00 0.00 H new ATOM 830 N CYS A 54 0.100 -9.079 -14.575 1.00 0.00 N ATOM 831 CA CYS A 54 0.442 -8.326 -15.776 1.00 0.00 C ATOM 832 C CYS A 54 0.588 -6.840 -15.463 1.00 0.00 C ATOM 833 O CYS A 54 1.503 -6.179 -15.955 1.00 0.00 O ATOM 834 CB CYS A 54 -0.626 -8.529 -16.852 1.00 0.00 C ATOM 835 SG CYS A 54 -0.345 -9.971 -17.907 1.00 0.00 S ATOM 0 H CYS A 54 -0.632 -9.777 -14.709 1.00 0.00 H new ATOM 0 HA CYS A 54 1.397 -8.697 -16.147 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.598 -8.629 -16.370 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.671 -7.637 -17.478 1.00 0.00 H new ATOM 0 HG CYS A 54 -1.301 -10.060 -18.784 1.00 0.00 H new ATOM 841 N TYR A 55 -0.319 -6.322 -14.643 1.00 0.00 N ATOM 842 CA TYR A 55 -0.293 -4.913 -14.267 1.00 0.00 C ATOM 843 C TYR A 55 1.094 -4.504 -13.782 1.00 0.00 C ATOM 844 O TYR A 55 1.660 -3.515 -14.247 1.00 0.00 O ATOM 845 CB TYR A 55 -1.329 -4.636 -13.176 1.00 0.00 C ATOM 846 CG TYR A 55 -2.739 -4.489 -13.703 1.00 0.00 C ATOM 847 CD1 TYR A 55 -3.092 -3.411 -14.506 1.00 0.00 C ATOM 848 CD2 TYR A 55 -3.717 -5.426 -13.397 1.00 0.00 C ATOM 849 CE1 TYR A 55 -4.378 -3.272 -14.989 1.00 0.00 C ATOM 850 CE2 TYR A 55 -5.006 -5.296 -13.878 1.00 0.00 C ATOM 851 CZ TYR A 55 -5.332 -4.217 -14.673 1.00 0.00 C ATOM 852 OH TYR A 55 -6.615 -4.082 -15.152 1.00 0.00 O ATOM 0 H TYR A 55 -1.081 -6.856 -14.226 1.00 0.00 H new ATOM 0 HA TYR A 55 -0.538 -4.323 -15.150 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.305 -5.448 -12.449 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.051 -3.725 -12.646 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.348 -2.669 -14.756 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.466 -6.271 -12.773 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.636 -2.428 -15.611 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.754 -6.035 -13.633 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.162 -4.832 -14.838 1.00 0.00 H new ATOM 862 N ASP A 56 1.637 -5.273 -12.844 1.00 0.00 N ATOM 863 CA ASP A 56 2.959 -4.994 -12.296 1.00 0.00 C ATOM 864 C ASP A 56 3.882 -4.424 -13.369 1.00 0.00 C ATOM 865 O ASP A 56 3.723 -4.711 -14.555 1.00 0.00 O ATOM 866 CB ASP A 56 3.568 -6.265 -11.704 1.00 0.00 C ATOM 867 CG ASP A 56 2.529 -7.156 -11.053 1.00 0.00 C ATOM 868 OD1 ASP A 56 1.491 -6.627 -10.602 1.00 0.00 O ATOM 869 OD2 ASP A 56 2.753 -8.383 -10.994 1.00 0.00 O ATOM 0 H ASP A 56 1.181 -6.095 -12.447 1.00 0.00 H new ATOM 0 HA ASP A 56 2.849 -4.252 -11.505 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.077 -6.821 -12.491 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.323 -5.993 -10.966 1.00 0.00 H new ATOM 874 N TYR A 57 4.845 -3.614 -12.943 1.00 0.00 N ATOM 875 CA TYR A 57 5.792 -3.001 -13.867 1.00 0.00 C ATOM 876 C TYR A 57 7.039 -2.521 -13.131 1.00 0.00 C ATOM 877 O TYR A 57 6.993 -2.224 -11.937 1.00 0.00 O ATOM 878 CB TYR A 57 5.136 -1.829 -14.599 1.00 0.00 C ATOM 879 CG TYR A 57 4.337 -0.920 -13.693 1.00 0.00 C ATOM 880 CD1 TYR A 57 4.950 -0.221 -12.661 1.00 0.00 C ATOM 881 CD2 TYR A 57 2.968 -0.760 -13.870 1.00 0.00 C ATOM 882 CE1 TYR A 57 4.223 0.610 -11.830 1.00 0.00 C ATOM 883 CE2 TYR A 57 2.233 0.070 -13.045 1.00 0.00 C ATOM 884 CZ TYR A 57 2.865 0.752 -12.026 1.00 0.00 C ATOM 885 OH TYR A 57 2.138 1.580 -11.202 1.00 0.00 O ATOM 0 H TYR A 57 4.990 -3.367 -11.964 1.00 0.00 H new ATOM 0 HA TYR A 57 6.090 -3.755 -14.595 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.909 -1.244 -15.097 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.481 -2.219 -15.378 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.013 -0.329 -12.505 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.470 -1.293 -14.666 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.715 1.145 -11.032 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.170 0.184 -13.197 1.00 0.00 H new ATOM 0 HH TYR A 57 1.777 1.061 -10.453 1.00 0.00 H new ATOM 895 N TRP A 58 8.152 -2.449 -13.852 1.00 0.00 N ATOM 896 CA TRP A 58 9.413 -2.004 -13.268 1.00 0.00 C ATOM 897 C TRP A 58 9.435 -0.488 -13.109 1.00 0.00 C ATOM 898 O TRP A 58 9.584 0.245 -14.087 1.00 0.00 O ATOM 899 CB TRP A 58 10.588 -2.456 -14.137 1.00 0.00 C ATOM 900 CG TRP A 58 11.063 -3.841 -13.819 1.00 0.00 C ATOM 901 CD1 TRP A 58 10.880 -4.964 -14.575 1.00 0.00 C ATOM 902 CD2 TRP A 58 11.799 -4.251 -12.661 1.00 0.00 C ATOM 903 NE1 TRP A 58 11.458 -6.047 -13.957 1.00 0.00 N ATOM 904 CE2 TRP A 58 12.028 -5.635 -12.781 1.00 0.00 C ATOM 905 CE3 TRP A 58 12.287 -3.582 -11.536 1.00 0.00 C ATOM 906 CZ2 TRP A 58 12.724 -6.360 -11.818 1.00 0.00 C ATOM 907 CZ3 TRP A 58 12.977 -4.303 -10.580 1.00 0.00 C ATOM 908 CH2 TRP A 58 13.191 -5.681 -10.726 1.00 0.00 C ATOM 0 H TRP A 58 8.208 -2.693 -14.841 1.00 0.00 H new ATOM 0 HA TRP A 58 9.506 -2.455 -12.280 1.00 0.00 H new ATOM 0 HB2 TRP A 58 10.293 -2.412 -15.185 1.00 0.00 H new ATOM 0 HB3 TRP A 58 11.415 -1.758 -14.009 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.358 -4.996 -15.520 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.462 -7.002 -14.315 1.00 0.00 H new ATOM 0 HE3 TRP A 58 12.128 -2.521 -11.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.890 -7.421 -11.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.358 -3.796 -9.706 1.00 0.00 H new ATOM 0 HH2 TRP A 58 13.735 -6.217 -9.962 1.00 0.00 H new ATOM 919 N ILE A 59 9.287 -0.025 -11.873 1.00 0.00 N ATOM 920 CA ILE A 59 9.291 1.405 -11.588 1.00 0.00 C ATOM 921 C ILE A 59 10.535 1.804 -10.801 1.00 0.00 C ATOM 922 O ILE A 59 11.006 1.058 -9.943 1.00 0.00 O ATOM 923 CB ILE A 59 8.040 1.825 -10.795 1.00 0.00 C ATOM 924 CG1 ILE A 59 7.862 3.343 -10.847 1.00 0.00 C ATOM 925 CG2 ILE A 59 8.141 1.347 -9.354 1.00 0.00 C ATOM 926 CD1 ILE A 59 6.501 3.809 -10.379 1.00 0.00 C ATOM 0 H ILE A 59 9.163 -0.619 -11.053 1.00 0.00 H new ATOM 0 HA ILE A 59 9.291 1.918 -12.549 1.00 0.00 H new ATOM 0 HB ILE A 59 7.166 1.360 -11.251 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.629 3.812 -10.231 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.022 3.684 -11.870 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.249 1.652 -8.806 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.224 0.260 -9.336 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.022 1.786 -8.886 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.447 4.896 -10.443 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.729 3.369 -11.010 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.346 3.498 -9.346 1.00 0.00 H new ATOM 938 N ASP A 60 11.062 2.987 -11.100 1.00 0.00 N ATOM 939 CA ASP A 60 12.250 3.488 -10.419 1.00 0.00 C ATOM 940 C ASP A 60 11.959 3.758 -8.946 1.00 0.00 C ATOM 941 O ASP A 60 11.032 4.495 -8.612 1.00 0.00 O ATOM 942 CB ASP A 60 12.751 4.765 -11.096 1.00 0.00 C ATOM 943 CG ASP A 60 13.268 4.512 -12.498 1.00 0.00 C ATOM 944 OD1 ASP A 60 13.870 3.442 -12.726 1.00 0.00 O ATOM 945 OD2 ASP A 60 13.070 5.385 -13.369 1.00 0.00 O ATOM 0 H ASP A 60 10.685 3.616 -11.809 1.00 0.00 H new ATOM 0 HA ASP A 60 13.025 2.724 -10.483 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.941 5.493 -11.136 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.545 5.205 -10.493 1.00 0.00 H new ATOM 950 N ALA A 61 12.758 3.157 -8.070 1.00 0.00 N ATOM 951 CA ALA A 61 12.586 3.333 -6.634 1.00 0.00 C ATOM 952 C ALA A 61 12.714 4.801 -6.242 1.00 0.00 C ATOM 953 O ALA A 61 12.149 5.237 -5.239 1.00 0.00 O ATOM 954 CB ALA A 61 13.601 2.492 -5.874 1.00 0.00 C ATOM 0 H ALA A 61 13.531 2.544 -8.330 1.00 0.00 H new ATOM 0 HA ALA A 61 11.583 2.999 -6.370 1.00 0.00 H new ATOM 0 HB1 ALA A 61 13.461 2.633 -4.802 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.461 1.440 -6.123 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.609 2.799 -6.152 1.00 0.00 H new ATOM 960 N ASP A 62 13.460 5.559 -7.039 1.00 0.00 N ATOM 961 CA ASP A 62 13.661 6.979 -6.775 1.00 0.00 C ATOM 962 C ASP A 62 12.622 7.821 -7.510 1.00 0.00 C ATOM 963 O ASP A 62 12.698 9.049 -7.519 1.00 0.00 O ATOM 964 CB ASP A 62 15.069 7.403 -7.196 1.00 0.00 C ATOM 965 CG ASP A 62 15.217 7.506 -8.701 1.00 0.00 C ATOM 966 OD1 ASP A 62 15.549 6.484 -9.336 1.00 0.00 O ATOM 967 OD2 ASP A 62 15.001 8.610 -9.245 1.00 0.00 O ATOM 0 H ASP A 62 13.935 5.214 -7.873 1.00 0.00 H new ATOM 0 HA ASP A 62 13.545 7.144 -5.704 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.306 8.366 -6.744 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.792 6.684 -6.811 1.00 0.00 H new ATOM 972 N SER A 63 11.653 7.151 -8.126 1.00 0.00 N ATOM 973 CA SER A 63 10.601 7.837 -8.867 1.00 0.00 C ATOM 974 C SER A 63 9.820 8.778 -7.956 1.00 0.00 C ATOM 975 O SER A 63 9.509 8.457 -6.809 1.00 0.00 O ATOM 976 CB SER A 63 9.652 6.820 -9.505 1.00 0.00 C ATOM 977 OG SER A 63 8.762 7.452 -10.410 1.00 0.00 O ATOM 0 H SER A 63 11.575 6.134 -8.127 1.00 0.00 H new ATOM 0 HA SER A 63 11.070 8.428 -9.653 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.229 6.058 -10.029 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.084 6.310 -8.727 1.00 0.00 H new ATOM 0 HG SER A 63 7.870 7.507 -10.007 1.00 0.00 H new ATOM 983 N PRO A 64 9.493 9.969 -8.478 1.00 0.00 N ATOM 984 CA PRO A 64 8.743 10.983 -7.730 1.00 0.00 C ATOM 985 C PRO A 64 7.292 10.576 -7.499 1.00 0.00 C ATOM 986 O PRO A 64 6.598 11.161 -6.667 1.00 0.00 O ATOM 987 CB PRO A 64 8.816 12.216 -8.633 1.00 0.00 C ATOM 988 CG PRO A 64 9.013 11.671 -10.005 1.00 0.00 C ATOM 989 CD PRO A 64 9.830 10.419 -9.839 1.00 0.00 C ATOM 0 HA PRO A 64 9.155 11.143 -6.734 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.903 12.807 -8.570 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.640 12.869 -8.345 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.056 11.453 -10.479 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.527 12.391 -10.641 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.571 9.668 -10.586 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.896 10.618 -9.944 1.00 0.00 H new ATOM 997 N ASP A 65 6.839 9.571 -8.240 1.00 0.00 N ATOM 998 CA ASP A 65 5.469 9.086 -8.115 1.00 0.00 C ATOM 999 C ASP A 65 5.358 8.057 -6.993 1.00 0.00 C ATOM 1000 O ASP A 65 4.328 7.963 -6.324 1.00 0.00 O ATOM 1001 CB ASP A 65 5.000 8.472 -9.435 1.00 0.00 C ATOM 1002 CG ASP A 65 5.661 9.113 -10.639 1.00 0.00 C ATOM 1003 OD1 ASP A 65 5.439 10.321 -10.864 1.00 0.00 O ATOM 1004 OD2 ASP A 65 6.401 8.407 -11.355 1.00 0.00 O ATOM 0 H ASP A 65 7.400 9.076 -8.933 1.00 0.00 H new ATOM 0 HA ASP A 65 4.830 9.934 -7.871 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.215 7.403 -9.432 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.918 8.579 -9.518 1.00 0.00 H new ATOM 1009 N ILE A 66 6.423 7.289 -6.794 1.00 0.00 N ATOM 1010 CA ILE A 66 6.445 6.268 -5.754 1.00 0.00 C ATOM 1011 C ILE A 66 6.361 6.895 -4.367 1.00 0.00 C ATOM 1012 O ILE A 66 7.172 7.750 -4.010 1.00 0.00 O ATOM 1013 CB ILE A 66 7.717 5.404 -5.839 1.00 0.00 C ATOM 1014 CG1 ILE A 66 7.658 4.491 -7.066 1.00 0.00 C ATOM 1015 CG2 ILE A 66 7.886 4.584 -4.569 1.00 0.00 C ATOM 1016 CD1 ILE A 66 8.897 3.642 -7.246 1.00 0.00 C ATOM 0 H ILE A 66 7.283 7.354 -7.339 1.00 0.00 H new ATOM 0 HA ILE A 66 5.574 5.633 -5.917 1.00 0.00 H new ATOM 0 HB ILE A 66 8.580 6.062 -5.940 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.789 3.838 -6.982 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.513 5.102 -7.957 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.789 3.979 -4.644 1.00 0.00 H new ATOM 0 HG22 ILE A 66 7.968 5.253 -3.712 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.022 3.932 -4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.786 3.020 -8.134 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.767 4.288 -7.362 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.032 3.005 -6.372 1.00 0.00 H new ATOM 1028 N HIS A 67 5.376 6.463 -3.586 1.00 0.00 N ATOM 1029 CA HIS A 67 5.188 6.980 -2.235 1.00 0.00 C ATOM 1030 C HIS A 67 5.121 5.841 -1.222 1.00 0.00 C ATOM 1031 O HIS A 67 4.556 4.779 -1.482 1.00 0.00 O ATOM 1032 CB HIS A 67 3.913 7.820 -2.161 1.00 0.00 C ATOM 1033 CG HIS A 67 3.933 9.020 -3.056 1.00 0.00 C ATOM 1034 ND1 HIS A 67 4.754 10.107 -2.839 1.00 0.00 N ATOM 1035 CD2 HIS A 67 3.229 9.301 -4.177 1.00 0.00 C ATOM 1036 CE1 HIS A 67 4.552 11.005 -3.786 1.00 0.00 C ATOM 1037 NE2 HIS A 67 3.632 10.540 -4.611 1.00 0.00 N ATOM 0 H HIS A 67 4.696 5.756 -3.865 1.00 0.00 H new ATOM 0 HA HIS A 67 6.044 7.610 -1.991 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.060 7.195 -2.425 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.762 8.147 -1.132 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.488 8.669 -4.643 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.054 11.958 -3.871 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.278 11.023 -5.437 1.00 0.00 H new ATOM 1046 N PRO A 68 5.712 6.065 -0.039 1.00 0.00 N ATOM 1047 CA PRO A 68 5.733 5.070 1.037 1.00 0.00 C ATOM 1048 C PRO A 68 4.356 4.855 1.655 1.00 0.00 C ATOM 1049 O PRO A 68 3.509 5.749 1.635 1.00 0.00 O ATOM 1050 CB PRO A 68 6.691 5.678 2.064 1.00 0.00 C ATOM 1051 CG PRO A 68 6.629 7.146 1.818 1.00 0.00 C ATOM 1052 CD PRO A 68 6.405 7.309 0.340 1.00 0.00 C ATOM 0 HA PRO A 68 6.039 4.088 0.677 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.387 5.434 3.082 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.704 5.297 1.934 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.820 7.603 2.388 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.553 7.633 2.129 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.801 8.189 0.120 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.345 7.425 -0.199 1.00 0.00 H new ATOM 1060 N VAL A 69 4.138 3.664 2.204 1.00 0.00 N ATOM 1061 CA VAL A 69 2.863 3.333 2.830 1.00 0.00 C ATOM 1062 C VAL A 69 2.415 4.436 3.781 1.00 0.00 C ATOM 1063 O VAL A 69 1.234 4.544 4.111 1.00 0.00 O ATOM 1064 CB VAL A 69 2.947 2.005 3.605 1.00 0.00 C ATOM 1065 CG1 VAL A 69 1.816 1.904 4.617 1.00 0.00 C ATOM 1066 CG2 VAL A 69 2.921 0.825 2.645 1.00 0.00 C ATOM 0 H VAL A 69 4.827 2.913 2.228 1.00 0.00 H new ATOM 0 HA VAL A 69 2.133 3.231 2.027 1.00 0.00 H new ATOM 0 HB VAL A 69 3.892 1.981 4.148 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.892 0.959 5.155 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.886 2.731 5.324 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.858 1.950 4.098 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.981 -0.105 3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.994 0.842 2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.769 0.891 1.964 1.00 0.00 H new ATOM 1076 N GLY A 70 3.366 5.256 4.219 1.00 0.00 N ATOM 1077 CA GLY A 70 3.049 6.341 5.129 1.00 0.00 C ATOM 1078 C GLY A 70 2.930 7.676 4.420 1.00 0.00 C ATOM 1079 O GLY A 70 3.266 8.718 4.983 1.00 0.00 O ATOM 0 H GLY A 70 4.350 5.188 3.960 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.112 6.120 5.641 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.822 6.407 5.894 1.00 0.00 H new ATOM 1083 N TRP A 71 2.453 7.645 3.181 1.00 0.00 N ATOM 1084 CA TRP A 71 2.292 8.862 2.393 1.00 0.00 C ATOM 1085 C TRP A 71 0.873 9.405 2.512 1.00 0.00 C ATOM 1086 O TRP A 71 0.672 10.585 2.800 1.00 0.00 O ATOM 1087 CB TRP A 71 2.627 8.592 0.925 1.00 0.00 C ATOM 1088 CG TRP A 71 2.340 9.756 0.026 1.00 0.00 C ATOM 1089 CD1 TRP A 71 3.219 10.724 -0.366 1.00 0.00 C ATOM 1090 CD2 TRP A 71 1.087 10.075 -0.589 1.00 0.00 C ATOM 1091 NE1 TRP A 71 2.588 11.626 -1.189 1.00 0.00 N ATOM 1092 CE2 TRP A 71 1.280 11.250 -1.343 1.00 0.00 C ATOM 1093 CE3 TRP A 71 -0.178 9.482 -0.580 1.00 0.00 C ATOM 1094 CZ2 TRP A 71 0.255 11.840 -2.076 1.00 0.00 C ATOM 1095 CZ3 TRP A 71 -1.195 10.070 -1.308 1.00 0.00 C ATOM 1096 CH2 TRP A 71 -0.974 11.239 -2.048 1.00 0.00 C ATOM 0 H TRP A 71 2.171 6.791 2.700 1.00 0.00 H new ATOM 0 HA TRP A 71 2.981 9.611 2.784 1.00 0.00 H new ATOM 0 HB2 TRP A 71 3.682 8.330 0.843 1.00 0.00 H new ATOM 0 HB3 TRP A 71 2.057 7.729 0.583 1.00 0.00 H new ATOM 0 HD1 TRP A 71 4.257 10.774 -0.073 1.00 0.00 H new ATOM 0 HE1 TRP A 71 3.024 12.443 -1.616 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.358 8.580 -0.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.424 12.741 -2.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.177 9.621 -1.306 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.789 11.674 -2.607 1.00 0.00 H new ATOM 1107 N CYS A 72 -0.108 8.537 2.290 1.00 0.00 N ATOM 1108 CA CYS A 72 -1.510 8.931 2.372 1.00 0.00 C ATOM 1109 C CYS A 72 -1.750 9.842 3.572 1.00 0.00 C ATOM 1110 O CYS A 72 -2.467 10.838 3.474 1.00 0.00 O ATOM 1111 CB CYS A 72 -2.404 7.694 2.471 1.00 0.00 C ATOM 1112 SG CYS A 72 -2.086 6.667 3.924 1.00 0.00 S ATOM 0 H CYS A 72 0.041 7.556 2.052 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.760 9.481 1.465 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.446 8.013 2.486 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.269 7.088 1.575 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.893 5.648 3.920 1.00 0.00 H new ATOM 1118 N SER A 73 -1.145 9.494 4.703 1.00 0.00 N ATOM 1119 CA SER A 73 -1.297 10.278 5.923 1.00 0.00 C ATOM 1120 C SER A 73 -0.415 11.523 5.882 1.00 0.00 C ATOM 1121 O SER A 73 -0.902 12.647 5.999 1.00 0.00 O ATOM 1122 CB SER A 73 -0.944 9.430 7.147 1.00 0.00 C ATOM 1123 OG SER A 73 -1.949 8.464 7.404 1.00 0.00 O ATOM 0 H SER A 73 -0.545 8.675 4.800 1.00 0.00 H new ATOM 0 HA SER A 73 -2.338 10.593 5.996 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.012 8.931 6.985 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.823 10.075 8.018 1.00 0.00 H new ATOM 0 HG SER A 73 -1.700 7.934 8.190 1.00 0.00 H new ATOM 1129 N LYS A 74 0.886 11.313 5.716 1.00 0.00 N ATOM 1130 CA LYS A 74 1.838 12.416 5.658 1.00 0.00 C ATOM 1131 C LYS A 74 1.240 13.613 4.926 1.00 0.00 C ATOM 1132 O LYS A 74 1.195 14.722 5.460 1.00 0.00 O ATOM 1133 CB LYS A 74 3.126 11.969 4.962 1.00 0.00 C ATOM 1134 CG LYS A 74 4.120 11.298 5.893 1.00 0.00 C ATOM 1135 CD LYS A 74 5.315 10.749 5.131 1.00 0.00 C ATOM 1136 CE LYS A 74 6.284 11.855 4.743 1.00 0.00 C ATOM 1137 NZ LYS A 74 6.938 12.463 5.935 1.00 0.00 N ATOM 0 H LYS A 74 1.306 10.388 5.619 1.00 0.00 H new ATOM 0 HA LYS A 74 2.070 12.717 6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.873 11.280 4.157 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.600 12.836 4.502 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.462 12.015 6.640 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.627 10.488 6.431 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.831 10.010 5.744 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.971 10.234 4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.047 11.452 4.076 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.751 12.627 4.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.809 12.951 5.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.290 13.146 6.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.173 11.717 6.620 1.00 0.00 H new ATOM 1151 N THR A 75 0.780 13.382 3.701 1.00 0.00 N ATOM 1152 CA THR A 75 0.185 14.441 2.896 1.00 0.00 C ATOM 1153 C THR A 75 -1.285 14.638 3.247 1.00 0.00 C ATOM 1154 O THR A 75 -1.751 15.767 3.399 1.00 0.00 O ATOM 1155 CB THR A 75 0.304 14.137 1.390 1.00 0.00 C ATOM 1156 OG1 THR A 75 -0.335 12.892 1.090 1.00 0.00 O ATOM 1157 CG2 THR A 75 1.763 14.080 0.964 1.00 0.00 C ATOM 0 H THR A 75 0.808 12.470 3.244 1.00 0.00 H new ATOM 0 HA THR A 75 0.736 15.355 3.120 1.00 0.00 H new ATOM 0 HB THR A 75 -0.188 14.939 0.839 1.00 0.00 H new ATOM 0 HG1 THR A 75 0.067 12.503 0.285 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.822 13.864 -0.103 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.239 15.039 1.167 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.275 13.296 1.522 1.00 0.00 H new ATOM 1165 N GLY A 76 -2.012 13.532 3.377 1.00 0.00 N ATOM 1166 CA GLY A 76 -3.422 13.606 3.710 1.00 0.00 C ATOM 1167 C GLY A 76 -4.316 13.318 2.520 1.00 0.00 C ATOM 1168 O GLY A 76 -5.445 13.804 2.450 1.00 0.00 O ATOM 0 H GLY A 76 -1.649 12.586 3.258 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.642 12.894 4.506 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.649 14.599 4.099 1.00 0.00 H new ATOM 1172 N HIS A 77 -3.810 12.525 1.581 1.00 0.00 N ATOM 1173 CA HIS A 77 -4.570 12.174 0.386 1.00 0.00 C ATOM 1174 C HIS A 77 -5.322 10.862 0.588 1.00 0.00 C ATOM 1175 O HIS A 77 -4.851 9.945 1.261 1.00 0.00 O ATOM 1176 CB HIS A 77 -3.639 12.061 -0.821 1.00 0.00 C ATOM 1177 CG HIS A 77 -3.440 13.355 -1.547 1.00 0.00 C ATOM 1178 ND1 HIS A 77 -4.481 14.187 -1.902 1.00 0.00 N ATOM 1179 CD2 HIS A 77 -2.311 13.961 -1.984 1.00 0.00 C ATOM 1180 CE1 HIS A 77 -4.001 15.247 -2.527 1.00 0.00 C ATOM 1181 NE2 HIS A 77 -2.686 15.135 -2.589 1.00 0.00 N ATOM 0 H HIS A 77 -2.878 12.113 1.624 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.297 12.965 0.201 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.670 11.688 -0.489 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.044 11.324 -1.514 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.302 13.590 -1.877 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -4.584 16.066 -2.921 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -2.053 15.811 -3.017 1.00 0.00 H new ATOM 1190 N PRO A 78 -6.521 10.769 -0.007 1.00 0.00 N ATOM 1191 CA PRO A 78 -7.364 9.574 0.093 1.00 0.00 C ATOM 1192 C PRO A 78 -6.783 8.389 -0.671 1.00 0.00 C ATOM 1193 O PRO A 78 -6.540 8.473 -1.876 1.00 0.00 O ATOM 1194 CB PRO A 78 -8.686 10.019 -0.535 1.00 0.00 C ATOM 1195 CG PRO A 78 -8.312 11.123 -1.463 1.00 0.00 C ATOM 1196 CD PRO A 78 -7.145 11.823 -0.824 1.00 0.00 C ATOM 0 HA PRO A 78 -7.461 9.228 1.122 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -9.167 9.199 -1.069 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.390 10.361 0.224 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.043 10.733 -2.445 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -9.146 11.809 -1.610 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.454 12.215 -1.570 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.467 12.667 -0.214 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.563 7.286 0.036 1.00 0.00 N ATOM 1205 CA LEU A 79 -6.011 6.082 -0.577 1.00 0.00 C ATOM 1206 C LEU A 79 -7.124 5.134 -1.013 1.00 0.00 C ATOM 1207 O LEU A 79 -8.209 5.128 -0.434 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.075 5.372 0.402 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.183 4.282 -0.194 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.215 4.878 -1.205 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -3.425 3.552 0.906 1.00 0.00 C ATOM 0 H LEU A 79 -6.758 7.200 1.033 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.446 6.379 -1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.436 6.121 0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.679 4.927 1.193 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.818 3.562 -0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.588 4.088 -1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.776 5.354 -2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.586 5.620 -0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.795 2.780 0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.801 4.261 1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.135 3.091 1.593 1.00 0.00 H new ATOM 1223 N GLN A 80 -6.844 4.333 -2.036 1.00 0.00 N ATOM 1224 CA GLN A 80 -7.821 3.379 -2.549 1.00 0.00 C ATOM 1225 C GLN A 80 -7.346 1.946 -2.336 1.00 0.00 C ATOM 1226 O GLN A 80 -6.192 1.603 -2.598 1.00 0.00 O ATOM 1227 CB GLN A 80 -8.077 3.629 -4.036 1.00 0.00 C ATOM 1228 CG GLN A 80 -8.500 5.056 -4.349 1.00 0.00 C ATOM 1229 CD GLN A 80 -9.977 5.294 -4.106 1.00 0.00 C ATOM 1230 OE1 GLN A 80 -10.828 4.567 -4.621 1.00 0.00 O ATOM 1231 NE2 GLN A 80 -10.290 6.315 -3.318 1.00 0.00 N ATOM 0 H GLN A 80 -5.949 4.325 -2.526 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.752 3.519 -1.999 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.172 3.396 -4.596 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.851 2.945 -4.383 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.919 5.746 -3.736 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.266 5.280 -5.390 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.552 6.891 -2.913 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.268 6.524 -3.118 1.00 0.00 H new ATOM 1240 N PRO A 81 -8.254 1.087 -1.850 1.00 0.00 N ATOM 1241 CA PRO A 81 -7.950 -0.324 -1.592 1.00 0.00 C ATOM 1242 C PRO A 81 -7.744 -1.117 -2.878 1.00 0.00 C ATOM 1243 O PRO A 81 -8.314 -0.809 -3.925 1.00 0.00 O ATOM 1244 CB PRO A 81 -9.192 -0.824 -0.849 1.00 0.00 C ATOM 1245 CG PRO A 81 -10.287 0.085 -1.289 1.00 0.00 C ATOM 1246 CD PRO A 81 -9.647 1.426 -1.516 1.00 0.00 C ATOM 0 HA PRO A 81 -7.023 -0.445 -1.032 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.413 -1.861 -1.101 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.051 -0.781 0.231 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.756 -0.283 -2.202 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.069 0.149 -0.532 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.133 1.971 -2.325 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.706 2.055 -0.628 1.00 0.00 H new ATOM 1254 N PRO A 82 -6.909 -2.165 -2.801 1.00 0.00 N ATOM 1255 CA PRO A 82 -6.609 -3.024 -3.949 1.00 0.00 C ATOM 1256 C PRO A 82 -7.802 -3.880 -4.360 1.00 0.00 C ATOM 1257 O PRO A 82 -8.880 -3.785 -3.771 1.00 0.00 O ATOM 1258 CB PRO A 82 -5.466 -3.908 -3.443 1.00 0.00 C ATOM 1259 CG PRO A 82 -5.636 -3.935 -1.963 1.00 0.00 C ATOM 1260 CD PRO A 82 -6.195 -2.590 -1.586 1.00 0.00 C ATOM 0 HA PRO A 82 -6.356 -2.444 -4.836 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.523 -4.911 -3.867 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.495 -3.499 -3.723 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.311 -4.736 -1.662 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.684 -4.116 -1.464 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -6.865 -2.659 -0.729 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.406 -1.888 -1.317 1.00 0.00 H new ATOM 1268 N LEU A 83 -7.604 -4.717 -5.373 1.00 0.00 N ATOM 1269 CA LEU A 83 -8.664 -5.591 -5.862 1.00 0.00 C ATOM 1270 C LEU A 83 -9.354 -6.310 -4.707 1.00 0.00 C ATOM 1271 O LEU A 83 -8.846 -6.335 -3.586 1.00 0.00 O ATOM 1272 CB LEU A 83 -8.094 -6.614 -6.846 1.00 0.00 C ATOM 1273 CG LEU A 83 -8.084 -6.197 -8.317 1.00 0.00 C ATOM 1274 CD1 LEU A 83 -7.697 -7.371 -9.203 1.00 0.00 C ATOM 1275 CD2 LEU A 83 -9.442 -5.644 -8.725 1.00 0.00 C ATOM 0 H LEU A 83 -6.719 -4.809 -5.871 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.402 -4.974 -6.374 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.071 -6.845 -6.548 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.668 -7.536 -6.754 1.00 0.00 H new ATOM 0 HG LEU A 83 -7.340 -5.411 -8.446 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.695 -7.055 -10.246 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.702 -7.721 -8.929 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.416 -8.180 -9.070 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.416 -5.353 -9.775 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.205 -6.409 -8.580 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.679 -4.774 -8.113 1.00 0.00 H new ATOM 1287 N SER A 84 -10.514 -6.895 -4.989 1.00 0.00 N ATOM 1288 CA SER A 84 -11.274 -7.613 -3.973 1.00 0.00 C ATOM 1289 C SER A 84 -10.564 -8.902 -3.572 1.00 0.00 C ATOM 1290 O SER A 84 -9.759 -9.456 -4.321 1.00 0.00 O ATOM 1291 CB SER A 84 -12.680 -7.930 -4.488 1.00 0.00 C ATOM 1292 OG SER A 84 -13.537 -6.810 -4.353 1.00 0.00 O ATOM 0 H SER A 84 -10.948 -6.886 -5.912 1.00 0.00 H new ATOM 0 HA SER A 84 -11.352 -6.974 -3.093 1.00 0.00 H new ATOM 0 HB2 SER A 84 -12.628 -8.228 -5.535 1.00 0.00 H new ATOM 0 HB3 SER A 84 -13.091 -8.775 -3.936 1.00 0.00 H new ATOM 0 HG SER A 84 -14.428 -7.038 -4.691 1.00 0.00 H new ATOM 1298 N PRO A 85 -10.867 -9.392 -2.361 1.00 0.00 N ATOM 1299 CA PRO A 85 -10.270 -10.621 -1.832 1.00 0.00 C ATOM 1300 C PRO A 85 -10.758 -11.866 -2.566 1.00 0.00 C ATOM 1301 O PRO A 85 -10.279 -12.973 -2.318 1.00 0.00 O ATOM 1302 CB PRO A 85 -10.735 -10.643 -0.374 1.00 0.00 C ATOM 1303 CG PRO A 85 -11.994 -9.846 -0.366 1.00 0.00 C ATOM 1304 CD PRO A 85 -11.818 -8.783 -1.415 1.00 0.00 C ATOM 0 HA PRO A 85 -9.186 -10.630 -1.948 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -10.909 -11.662 -0.029 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -9.986 -10.207 0.287 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -12.856 -10.475 -0.589 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -12.169 -9.402 0.614 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -12.763 -8.535 -1.899 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -11.426 -7.859 -0.989 1.00 0.00 H new ATOM 1312 N LEU A 86 -11.714 -11.677 -3.469 1.00 0.00 N ATOM 1313 CA LEU A 86 -12.268 -12.785 -4.240 1.00 0.00 C ATOM 1314 C LEU A 86 -11.515 -12.963 -5.555 1.00 0.00 C ATOM 1315 O LEU A 86 -11.719 -13.944 -6.269 1.00 0.00 O ATOM 1316 CB LEU A 86 -13.753 -12.547 -4.517 1.00 0.00 C ATOM 1317 CG LEU A 86 -14.079 -11.462 -5.544 1.00 0.00 C ATOM 1318 CD1 LEU A 86 -14.153 -12.056 -6.942 1.00 0.00 C ATOM 1319 CD2 LEU A 86 -15.384 -10.766 -5.189 1.00 0.00 C ATOM 0 H LEU A 86 -12.122 -10.767 -3.685 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.156 -13.696 -3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -14.193 -13.484 -4.856 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -14.240 -12.288 -3.577 1.00 0.00 H new ATOM 0 HG LEU A 86 -13.280 -10.721 -5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.386 -11.269 -7.660 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.194 -12.507 -7.197 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -14.932 -12.818 -6.973 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -15.600 -9.997 -5.931 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -16.194 -11.496 -5.176 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -15.295 -10.306 -4.205 1.00 0.00 H new ATOM 1331 N GLU A 87 -10.644 -12.008 -5.866 1.00 0.00 N ATOM 1332 CA GLU A 87 -9.860 -12.061 -7.094 1.00 0.00 C ATOM 1333 C GLU A 87 -8.556 -12.822 -6.875 1.00 0.00 C ATOM 1334 O GLU A 87 -8.205 -13.713 -7.651 1.00 0.00 O ATOM 1335 CB GLU A 87 -9.560 -10.647 -7.596 1.00 0.00 C ATOM 1336 CG GLU A 87 -10.794 -9.892 -8.062 1.00 0.00 C ATOM 1337 CD GLU A 87 -11.248 -10.316 -9.445 1.00 0.00 C ATOM 1338 OE1 GLU A 87 -11.053 -11.497 -9.799 1.00 0.00 O ATOM 1339 OE2 GLU A 87 -11.801 -9.465 -10.174 1.00 0.00 O ATOM 0 H GLU A 87 -10.464 -11.189 -5.285 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.447 -12.589 -7.846 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.078 -10.082 -6.798 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.848 -10.706 -8.419 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.605 -10.054 -7.352 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.582 -8.823 -8.065 1.00 0.00 H new ATOM 1346 N LEU A 88 -7.840 -12.465 -5.814 1.00 0.00 N ATOM 1347 CA LEU A 88 -6.574 -13.113 -5.492 1.00 0.00 C ATOM 1348 C LEU A 88 -6.804 -14.389 -4.689 1.00 0.00 C ATOM 1349 O LEU A 88 -6.006 -14.740 -3.821 1.00 0.00 O ATOM 1350 CB LEU A 88 -5.675 -12.157 -4.706 1.00 0.00 C ATOM 1351 CG LEU A 88 -6.123 -11.835 -3.280 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -4.920 -11.545 -2.395 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -7.085 -10.656 -3.277 1.00 0.00 C ATOM 0 H LEU A 88 -8.115 -11.730 -5.162 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.082 -13.379 -6.428 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.673 -12.585 -4.663 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.599 -11.222 -5.261 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.643 -12.704 -2.878 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.258 -11.318 -1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.267 -12.417 -2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.372 -10.692 -2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.394 -10.441 -2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.590 -9.781 -3.698 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.962 -10.900 -3.877 1.00 0.00 H new ATOM 1365 N MET A 89 -7.900 -15.080 -4.986 1.00 0.00 N ATOM 1366 CA MET A 89 -8.233 -16.320 -4.294 1.00 0.00 C ATOM 1367 C MET A 89 -7.227 -17.417 -4.629 1.00 0.00 C ATOM 1368 O MET A 89 -6.631 -17.416 -5.705 1.00 0.00 O ATOM 1369 CB MET A 89 -9.644 -16.775 -4.669 1.00 0.00 C ATOM 1370 CG MET A 89 -10.738 -16.083 -3.870 1.00 0.00 C ATOM 1371 SD MET A 89 -12.344 -16.879 -4.058 1.00 0.00 S ATOM 1372 CE MET A 89 -13.285 -16.049 -2.780 1.00 0.00 C ATOM 0 H MET A 89 -8.572 -14.802 -5.701 1.00 0.00 H new ATOM 0 HA MET A 89 -8.193 -16.130 -3.221 1.00 0.00 H new ATOM 0 HB2 MET A 89 -9.807 -16.588 -5.730 1.00 0.00 H new ATOM 0 HB3 MET A 89 -9.722 -17.852 -4.519 1.00 0.00 H new ATOM 0 HG2 MET A 89 -10.462 -16.074 -2.815 1.00 0.00 H new ATOM 0 HG3 MET A 89 -10.813 -15.043 -4.188 1.00 0.00 H new ATOM 0 HE1 MET A 89 -13.851 -16.785 -2.209 1.00 0.00 H new ATOM 0 HE2 MET A 89 -12.605 -15.518 -2.114 1.00 0.00 H new ATOM 0 HE3 MET A 89 -13.973 -15.338 -3.238 1.00 0.00 H new ATOM 1382 N GLU A 90 -7.043 -18.349 -3.699 1.00 0.00 N ATOM 1383 CA GLU A 90 -6.108 -19.450 -3.897 1.00 0.00 C ATOM 1384 C GLU A 90 -4.838 -18.968 -4.591 1.00 0.00 C ATOM 1385 O GLU A 90 -4.232 -19.696 -5.377 1.00 0.00 O ATOM 1386 CB GLU A 90 -6.762 -20.562 -4.721 1.00 0.00 C ATOM 1387 CG GLU A 90 -7.077 -20.154 -6.151 1.00 0.00 C ATOM 1388 CD GLU A 90 -8.437 -19.498 -6.284 1.00 0.00 C ATOM 1389 OE1 GLU A 90 -9.372 -19.918 -5.571 1.00 0.00 O ATOM 1390 OE2 GLU A 90 -8.566 -18.562 -7.102 1.00 0.00 O ATOM 0 H GLU A 90 -7.529 -18.363 -2.802 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.838 -19.844 -2.917 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.101 -21.428 -4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.684 -20.873 -4.229 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.310 -19.466 -6.506 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.038 -21.034 -6.793 1.00 0.00 H new ATOM 1397 N ALA A 91 -4.441 -17.734 -4.295 1.00 0.00 N ATOM 1398 CA ALA A 91 -3.243 -17.154 -4.888 1.00 0.00 C ATOM 1399 C ALA A 91 -2.009 -17.986 -4.558 1.00 0.00 C ATOM 1400 O ALA A 91 -1.964 -18.669 -3.535 1.00 0.00 O ATOM 1401 CB ALA A 91 -3.059 -15.721 -4.411 1.00 0.00 C ATOM 0 H ALA A 91 -4.932 -17.117 -3.648 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.368 -17.152 -5.971 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.160 -15.300 -4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.924 -15.126 -4.703 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.960 -15.709 -3.326 1.00 0.00 H new ATOM 1407 N SER A 92 -1.008 -17.925 -5.431 1.00 0.00 N ATOM 1408 CA SER A 92 0.225 -18.677 -5.234 1.00 0.00 C ATOM 1409 C SER A 92 1.280 -17.819 -4.541 1.00 0.00 C ATOM 1410 O SER A 92 1.350 -16.610 -4.756 1.00 0.00 O ATOM 1411 CB SER A 92 0.762 -19.178 -6.576 1.00 0.00 C ATOM 1412 OG SER A 92 1.620 -20.291 -6.399 1.00 0.00 O ATOM 0 H SER A 92 -1.027 -17.362 -6.282 1.00 0.00 H new ATOM 0 HA SER A 92 0.001 -19.533 -4.597 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.070 -19.456 -7.223 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.302 -18.375 -7.078 1.00 0.00 H new ATOM 0 HG SER A 92 1.948 -20.593 -7.272 1.00 0.00 H new ATOM 1418 N GLU A 93 2.096 -18.456 -3.707 1.00 0.00 N ATOM 1419 CA GLU A 93 3.146 -17.751 -2.981 1.00 0.00 C ATOM 1420 C GLU A 93 4.091 -18.736 -2.299 1.00 0.00 C ATOM 1421 O GLU A 93 3.886 -19.950 -2.352 1.00 0.00 O ATOM 1422 CB GLU A 93 2.535 -16.811 -1.941 1.00 0.00 C ATOM 1423 CG GLU A 93 1.941 -17.532 -0.743 1.00 0.00 C ATOM 1424 CD GLU A 93 1.322 -16.580 0.263 1.00 0.00 C ATOM 1425 OE1 GLU A 93 2.084 -15.927 1.007 1.00 0.00 O ATOM 1426 OE2 GLU A 93 0.078 -16.489 0.307 1.00 0.00 O ATOM 0 H GLU A 93 2.050 -19.457 -3.518 1.00 0.00 H new ATOM 0 HA GLU A 93 3.717 -17.164 -3.700 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.302 -16.119 -1.594 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.758 -16.213 -2.416 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.182 -18.235 -1.086 1.00 0.00 H new ATOM 0 HG3 GLU A 93 2.719 -18.117 -0.253 1.00 0.00 H new ATOM 1433 N HIS A 94 5.128 -18.206 -1.658 1.00 0.00 N ATOM 1434 CA HIS A 94 6.105 -19.038 -0.965 1.00 0.00 C ATOM 1435 C HIS A 94 5.593 -19.443 0.414 1.00 0.00 C ATOM 1436 O HIS A 94 4.925 -18.664 1.093 1.00 0.00 O ATOM 1437 CB HIS A 94 7.435 -18.295 -0.829 1.00 0.00 C ATOM 1438 CG HIS A 94 8.439 -19.014 0.017 1.00 0.00 C ATOM 1439 ND1 HIS A 94 9.164 -20.098 -0.432 1.00 0.00 N ATOM 1440 CD2 HIS A 94 8.841 -18.797 1.291 1.00 0.00 C ATOM 1441 CE1 HIS A 94 9.965 -20.518 0.530 1.00 0.00 C ATOM 1442 NE2 HIS A 94 9.789 -19.745 1.586 1.00 0.00 N ATOM 0 H HIS A 94 5.313 -17.204 -1.604 1.00 0.00 H new ATOM 0 HA HIS A 94 6.260 -19.941 -1.556 1.00 0.00 H new ATOM 0 HB2 HIS A 94 7.856 -18.136 -1.822 1.00 0.00 H new ATOM 0 HB3 HIS A 94 7.249 -17.310 -0.400 1.00 0.00 H new ATOM 0 HD2 HIS A 94 8.483 -18.022 1.952 1.00 0.00 H new ATOM 0 HE1 HIS A 94 10.648 -21.352 0.464 1.00 0.00 H new ATOM 0 HE2 HIS A 94 10.278 -19.837 2.476 1.00 0.00 H new ATOM 1451 N GLY A 95 5.911 -20.669 0.822 1.00 0.00 N ATOM 1452 CA GLY A 95 5.474 -21.156 2.117 1.00 0.00 C ATOM 1453 C GLY A 95 4.143 -21.879 2.045 1.00 0.00 C ATOM 1454 O GLY A 95 4.099 -23.106 1.971 1.00 0.00 O ATOM 0 H GLY A 95 6.463 -21.333 0.279 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.229 -21.830 2.522 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.392 -20.317 2.808 1.00 0.00 H new ATOM 1458 N GLY A 96 3.054 -21.117 2.070 1.00 0.00 N ATOM 1459 CA GLY A 96 1.732 -21.710 2.008 1.00 0.00 C ATOM 1460 C GLY A 96 1.241 -22.175 3.365 1.00 0.00 C ATOM 1461 O GLY A 96 1.085 -23.374 3.598 1.00 0.00 O ATOM 0 H GLY A 96 3.064 -20.099 2.132 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.030 -20.983 1.601 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.749 -22.556 1.321 1.00 0.00 H new ATOM 1465 N CYS A 97 0.999 -21.226 4.262 1.00 0.00 N ATOM 1466 CA CYS A 97 0.526 -21.545 5.604 1.00 0.00 C ATOM 1467 C CYS A 97 -0.928 -22.005 5.573 1.00 0.00 C ATOM 1468 O CYS A 97 -1.723 -21.530 4.762 1.00 0.00 O ATOM 1469 CB CYS A 97 0.670 -20.330 6.521 1.00 0.00 C ATOM 1470 SG CYS A 97 -0.228 -18.866 5.953 1.00 0.00 S ATOM 0 H CYS A 97 1.123 -20.229 4.084 1.00 0.00 H new ATOM 0 HA CYS A 97 1.137 -22.359 5.994 1.00 0.00 H new ATOM 0 HB2 CYS A 97 0.317 -20.596 7.517 1.00 0.00 H new ATOM 0 HB3 CYS A 97 1.727 -20.081 6.614 1.00 0.00 H new ATOM 0 HG CYS A 97 -0.047 -17.892 6.795 1.00 0.00 H new ATOM 1476 N SER A 98 -1.269 -22.933 6.461 1.00 0.00 N ATOM 1477 CA SER A 98 -2.627 -23.461 6.532 1.00 0.00 C ATOM 1478 C SER A 98 -3.307 -23.039 7.831 1.00 0.00 C ATOM 1479 O SER A 98 -2.643 -22.715 8.817 1.00 0.00 O ATOM 1480 CB SER A 98 -2.609 -24.987 6.425 1.00 0.00 C ATOM 1481 OG SER A 98 -1.818 -25.562 7.451 1.00 0.00 O ATOM 0 H SER A 98 -0.624 -23.335 7.141 1.00 0.00 H new ATOM 0 HA SER A 98 -3.194 -23.051 5.696 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.627 -25.371 6.488 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.217 -25.282 5.451 1.00 0.00 H new ATOM 0 HG SER A 98 -1.825 -26.538 7.361 1.00 0.00 H new ATOM 1487 N THR A 99 -4.636 -23.046 7.825 1.00 0.00 N ATOM 1488 CA THR A 99 -5.407 -22.663 9.001 1.00 0.00 C ATOM 1489 C THR A 99 -6.120 -23.867 9.606 1.00 0.00 C ATOM 1490 O THR A 99 -6.626 -24.739 8.900 1.00 0.00 O ATOM 1491 CB THR A 99 -6.450 -21.581 8.661 1.00 0.00 C ATOM 1492 OG1 THR A 99 -7.117 -21.152 9.853 1.00 0.00 O ATOM 1493 CG2 THR A 99 -7.472 -22.108 7.664 1.00 0.00 C ATOM 0 H THR A 99 -5.201 -23.313 7.019 1.00 0.00 H new ATOM 0 HA THR A 99 -4.700 -22.260 9.726 1.00 0.00 H new ATOM 0 HB THR A 99 -5.930 -20.735 8.211 1.00 0.00 H new ATOM 0 HG1 THR A 99 -7.777 -20.463 9.629 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.198 -21.326 7.439 1.00 0.00 H new ATOM 0 HG22 THR A 99 -6.965 -22.407 6.747 1.00 0.00 H new ATOM 0 HG23 THR A 99 -7.986 -22.969 8.091 1.00 0.00 H new ATOM 1501 N PRO A 100 -6.163 -23.918 10.946 1.00 0.00 N ATOM 1502 CA PRO A 100 -6.812 -25.010 11.677 1.00 0.00 C ATOM 1503 C PRO A 100 -8.330 -24.982 11.532 1.00 0.00 C ATOM 1504 O PRO A 100 -8.914 -23.947 11.216 1.00 0.00 O ATOM 1505 CB PRO A 100 -6.409 -24.753 13.131 1.00 0.00 C ATOM 1506 CG PRO A 100 -6.137 -23.290 13.196 1.00 0.00 C ATOM 1507 CD PRO A 100 -5.580 -22.912 11.851 1.00 0.00 C ATOM 0 HA PRO A 100 -6.508 -25.988 11.303 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -7.205 -25.039 13.819 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -5.527 -25.332 13.406 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -7.049 -22.733 13.411 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -5.428 -23.060 13.991 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -5.868 -21.900 11.566 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -4.491 -22.947 11.843 1.00 0.00 H new ATOM 1515 N GLY A 101 -8.963 -26.128 11.765 1.00 0.00 N ATOM 1516 CA GLY A 101 -10.408 -26.212 11.656 1.00 0.00 C ATOM 1517 C GLY A 101 -10.853 -26.937 10.401 1.00 0.00 C ATOM 1518 O GLY A 101 -10.093 -27.052 9.439 1.00 0.00 O ATOM 0 H GLY A 101 -8.501 -26.999 12.027 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.806 -26.727 12.530 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.829 -25.206 11.660 1.00 0.00 H new ATOM 1522 N SER A 102 -12.088 -27.429 10.410 1.00 0.00 N ATOM 1523 CA SER A 102 -12.631 -28.152 9.266 1.00 0.00 C ATOM 1524 C SER A 102 -14.120 -28.427 9.454 1.00 0.00 C ATOM 1525 O SER A 102 -14.511 -29.260 10.270 1.00 0.00 O ATOM 1526 CB SER A 102 -11.879 -29.469 9.064 1.00 0.00 C ATOM 1527 OG SER A 102 -12.497 -30.261 8.064 1.00 0.00 O ATOM 0 H SER A 102 -12.731 -27.340 11.197 1.00 0.00 H new ATOM 0 HA SER A 102 -12.503 -27.530 8.380 1.00 0.00 H new ATOM 0 HB2 SER A 102 -10.847 -29.262 8.782 1.00 0.00 H new ATOM 0 HB3 SER A 102 -11.849 -30.022 10.003 1.00 0.00 H new ATOM 0 HG SER A 102 -11.997 -31.096 7.953 1.00 0.00 H new ATOM 1533 N GLY A 103 -14.947 -27.718 8.691 1.00 0.00 N ATOM 1534 CA GLY A 103 -16.384 -27.899 8.788 1.00 0.00 C ATOM 1535 C GLY A 103 -16.979 -28.497 7.529 1.00 0.00 C ATOM 1536 O GLY A 103 -16.290 -29.137 6.734 1.00 0.00 O ATOM 0 H GLY A 103 -14.648 -27.022 8.008 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -16.609 -28.546 9.636 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -16.856 -26.937 8.988 1.00 0.00 H new ATOM 1540 N PRO A 104 -18.290 -28.292 7.335 1.00 0.00 N ATOM 1541 CA PRO A 104 -19.007 -28.809 6.165 1.00 0.00 C ATOM 1542 C PRO A 104 -18.606 -28.099 4.878 1.00 0.00 C ATOM 1543 O PRO A 104 -17.955 -27.054 4.911 1.00 0.00 O ATOM 1544 CB PRO A 104 -20.475 -28.527 6.496 1.00 0.00 C ATOM 1545 CG PRO A 104 -20.436 -27.376 7.441 1.00 0.00 C ATOM 1546 CD PRO A 104 -19.174 -27.539 8.241 1.00 0.00 C ATOM 0 HA PRO A 104 -18.790 -29.862 5.987 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -21.043 -28.283 5.598 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -20.952 -29.396 6.950 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -20.437 -26.429 6.902 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -21.312 -27.374 8.090 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -18.744 -26.575 8.513 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -19.354 -28.081 9.169 1.00 0.00 H new ATOM 1554 N SER A 105 -18.998 -28.671 3.744 1.00 0.00 N ATOM 1555 CA SER A 105 -18.675 -28.093 2.445 1.00 0.00 C ATOM 1556 C SER A 105 -19.939 -27.875 1.618 1.00 0.00 C ATOM 1557 O SER A 105 -20.638 -28.827 1.270 1.00 0.00 O ATOM 1558 CB SER A 105 -17.706 -29.002 1.685 1.00 0.00 C ATOM 1559 OG SER A 105 -18.252 -30.298 1.511 1.00 0.00 O ATOM 0 H SER A 105 -19.540 -29.534 3.699 1.00 0.00 H new ATOM 0 HA SER A 105 -18.200 -27.127 2.613 1.00 0.00 H new ATOM 0 HB2 SER A 105 -17.480 -28.565 0.712 1.00 0.00 H new ATOM 0 HB3 SER A 105 -16.764 -29.071 2.230 1.00 0.00 H new ATOM 0 HG SER A 105 -19.209 -30.226 1.313 1.00 0.00 H new ATOM 1565 N SER A 106 -20.225 -26.615 1.308 1.00 0.00 N ATOM 1566 CA SER A 106 -21.406 -26.270 0.526 1.00 0.00 C ATOM 1567 C SER A 106 -21.148 -26.466 -0.965 1.00 0.00 C ATOM 1568 O SER A 106 -20.013 -26.361 -1.428 1.00 0.00 O ATOM 1569 CB SER A 106 -21.818 -24.821 0.797 1.00 0.00 C ATOM 1570 OG SER A 106 -22.484 -24.705 2.042 1.00 0.00 O ATOM 0 H SER A 106 -19.655 -25.816 1.586 1.00 0.00 H new ATOM 0 HA SER A 106 -22.216 -26.934 0.827 1.00 0.00 H new ATOM 0 HB2 SER A 106 -20.935 -24.182 0.792 1.00 0.00 H new ATOM 0 HB3 SER A 106 -22.471 -24.470 -0.002 1.00 0.00 H new ATOM 0 HG SER A 106 -22.735 -23.770 2.193 1.00 0.00 H new ATOM 1576 N GLY A 107 -22.210 -26.753 -1.711 1.00 0.00 N ATOM 1577 CA GLY A 107 -22.078 -26.961 -3.141 1.00 0.00 C ATOM 1578 C GLY A 107 -21.258 -28.191 -3.475 1.00 0.00 C ATOM 1579 O GLY A 107 -21.808 -29.240 -3.810 1.00 0.00 O ATOM 0 H GLY A 107 -23.160 -26.845 -1.351 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -23.069 -27.058 -3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -21.612 -26.084 -3.591 1.00 0.00 H new TER 1583 GLY A 107