USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 704 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 MET CE :methyl 164:sc= -0.596 (180deg=-1.18) USER MOD Set 1.2: A 24 GLN : amide:sc= -0.912 K(o=-1.5,f=-0.96) USER MOD Set 2.1: A 19 TYR OH : rot 180:sc= 1.1 USER MOD Set 2.2: A 49 SER OG : rot -72:sc= 1.06 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.534 USER MOD Single : A 3 HIS : no HD1:sc= -0.0249 X(o=-0.025,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= -0.933 (180deg=-0.933) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -166:sc= -0.0293 (180deg=-0.33) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 175:sc= -0.0103 (180deg=-0.0496) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 145:sc= 1.09 USER MOD Single : A 25 THR OG1 : rot 90:sc= 1.17 USER MOD Single : A 30 HIS : no HD1:sc= -0.327 X(o=-0.33,f=-0.25) USER MOD Single : A 31 LYS NZ :NH3+ 162:sc= -0.0802 (180deg=-0.373) USER MOD Single : A 32 LYS NZ :NH3+ 169:sc= -0.0197 (180deg=-0.163) USER MOD Single : A 33 LYS NZ :NH3+ 179:sc= 1.07 (180deg=1.05) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot -50:sc= 0.535 USER MOD Single : A 40 ASN : amide:sc= -0.709 X(o=-0.71,f=-0.27) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 75:sc= 0.747 USER MOD Single : A 46 LYS NZ :NH3+ -162:sc= -0.0861 (180deg=-0.426) USER MOD Single : A 47 LYS NZ :NH3+ 165:sc= -0.0381 (180deg=-0.312) USER MOD Single : A 53 LYS NZ :NH3+ -165:sc= -0.0416 (180deg=-0.27) USER MOD Single : A 54 THR OG1 : rot -73:sc= 0.0812 USER MOD Single : A 55 MET CE :methyl 145:sc= -0.203 (180deg=-0.783) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -165:sc= -0.0396 (180deg=-0.276) USER MOD Single : A 60 LYS NZ :NH3+ 164:sc= 0.0287 (180deg=0.00467) USER MOD Single : A 62 LYS NZ :NH3+ 166:sc=-0.00153 (180deg=-0.165) USER MOD Single : A 66 MET CE :methyl 176:sc= -1.26 (180deg=-1.3) USER MOD Single : A 68 LYS NZ :NH3+ -166:sc= 1.03 (180deg=0.862) USER MOD Single : A 71 LYS NZ :NH3+ -157:sc= 1.22 (180deg=0.0659) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -33:sc= 0.246 USER MOD Single : A 81 TYR OH : rot 30:sc= -0.0765 USER MOD Single : A 85 LYS NZ :NH3+ 171:sc= -0.0266 (180deg=-0.142) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.820 15.537 21.036 1.00 3.13 N ATOM 2 CA GLY A 1 7.256 16.503 20.009 1.00 62.14 C ATOM 3 C GLY A 1 6.629 17.865 20.210 1.00 65.11 C ATOM 4 O GLY A 1 7.319 18.837 20.526 1.00 21.30 O ATOM 0 H1 GLY A 1 7.273 14.617 20.862 1.00 3.13 H new ATOM 0 H2 GLY A 1 7.093 15.884 21.977 1.00 3.13 H new ATOM 0 H3 GLY A 1 5.787 15.428 20.994 1.00 3.13 H new ATOM 0 HA2 GLY A 1 8.342 16.596 20.036 1.00 62.14 H new ATOM 0 HA3 GLY A 1 6.993 16.125 19.021 1.00 62.14 H new ATOM 10 N SER A 2 5.325 17.938 20.035 1.00 12.45 N ATOM 11 CA SER A 2 4.599 19.176 20.206 1.00 1.22 C ATOM 12 C SER A 2 3.404 18.950 21.117 1.00 64.11 C ATOM 13 O SER A 2 2.588 18.056 20.874 1.00 63.51 O ATOM 14 CB SER A 2 4.139 19.713 18.845 1.00 11.40 C ATOM 15 OG SER A 2 3.441 20.942 18.980 1.00 65.21 O ATOM 0 H SER A 2 4.742 17.143 19.771 1.00 12.45 H new ATOM 0 HA SER A 2 5.257 19.914 20.664 1.00 1.22 H new ATOM 0 HB2 SER A 2 5.004 19.854 18.197 1.00 11.40 H new ATOM 0 HB3 SER A 2 3.495 18.979 18.362 1.00 11.40 H new ATOM 0 HG SER A 2 3.162 21.259 18.095 1.00 65.21 H new ATOM 21 N HIS A 3 3.309 19.740 22.173 1.00 63.05 N ATOM 22 CA HIS A 3 2.207 19.617 23.112 1.00 43.43 C ATOM 23 C HIS A 3 0.923 20.138 22.486 1.00 50.33 C ATOM 24 O HIS A 3 -0.144 19.548 22.647 1.00 52.21 O ATOM 25 CB HIS A 3 2.512 20.370 24.415 1.00 33.21 C ATOM 26 CG HIS A 3 1.501 20.139 25.500 1.00 72.34 C ATOM 27 ND1 HIS A 3 1.689 19.241 26.524 1.00 34.13 N ATOM 28 CD2 HIS A 3 0.287 20.698 25.716 1.00 51.34 C ATOM 29 CE1 HIS A 3 0.641 19.257 27.319 1.00 14.43 C ATOM 30 NE2 HIS A 3 -0.221 20.131 26.851 1.00 23.12 N ATOM 0 H HIS A 3 3.981 20.473 22.401 1.00 63.05 H new ATOM 0 HA HIS A 3 2.078 18.562 23.353 1.00 43.43 H new ATOM 0 HB2 HIS A 3 3.495 20.068 24.777 1.00 33.21 H new ATOM 0 HB3 HIS A 3 2.565 21.438 24.202 1.00 33.21 H new ATOM 0 HD2 HIS A 3 -0.190 21.451 25.106 1.00 51.34 H new ATOM 0 HE1 HIS A 3 0.511 18.654 28.206 1.00 14.43 H new ATOM 0 HE2 HIS A 3 -1.125 20.351 27.268 1.00 23.12 H new ATOM 39 N MET A 4 1.031 21.242 21.770 1.00 41.30 N ATOM 40 CA MET A 4 -0.117 21.823 21.107 1.00 44.01 C ATOM 41 C MET A 4 -0.469 20.984 19.887 1.00 43.33 C ATOM 42 O MET A 4 -1.611 20.548 19.727 1.00 24.42 O ATOM 43 CB MET A 4 0.168 23.284 20.717 1.00 53.44 C ATOM 44 CG MET A 4 -1.074 24.096 20.340 1.00 13.33 C ATOM 45 SD MET A 4 -1.756 23.672 18.721 1.00 0.01 S ATOM 46 CE MET A 4 -0.413 24.181 17.651 1.00 74.15 C ATOM 0 H MET A 4 1.903 21.753 21.634 1.00 41.30 H new ATOM 0 HA MET A 4 -0.968 21.827 21.787 1.00 44.01 H new ATOM 0 HB2 MET A 4 0.670 23.777 21.549 1.00 53.44 H new ATOM 0 HB3 MET A 4 0.861 23.293 19.876 1.00 53.44 H new ATOM 0 HG2 MET A 4 -1.841 23.943 21.099 1.00 13.33 H new ATOM 0 HG3 MET A 4 -0.821 25.156 20.352 1.00 13.33 H new ATOM 0 HE1 MET A 4 -0.680 23.984 16.613 1.00 74.15 H new ATOM 0 HE2 MET A 4 -0.228 25.247 17.782 1.00 74.15 H new ATOM 0 HE3 MET A 4 0.487 23.622 17.906 1.00 74.15 H new ATOM 56 N GLY A 5 0.521 20.730 19.047 1.00 22.10 N ATOM 57 CA GLY A 5 0.302 19.910 17.883 1.00 12.33 C ATOM 58 C GLY A 5 0.754 20.578 16.611 1.00 53.43 C ATOM 59 O GLY A 5 1.239 21.708 16.633 1.00 10.43 O ATOM 0 H GLY A 5 1.473 21.079 19.154 1.00 22.10 H new ATOM 0 HA2 GLY A 5 0.834 18.966 18.002 1.00 12.33 H new ATOM 0 HA3 GLY A 5 -0.759 19.670 17.806 1.00 12.33 H new ATOM 63 N LYS A 6 0.602 19.873 15.508 1.00 44.44 N ATOM 64 CA LYS A 6 0.962 20.377 14.196 1.00 41.51 C ATOM 65 C LYS A 6 0.391 19.457 13.129 1.00 31.21 C ATOM 66 O LYS A 6 0.099 18.292 13.402 1.00 44.44 O ATOM 67 CB LYS A 6 2.489 20.484 14.041 1.00 32.35 C ATOM 68 CG LYS A 6 3.229 19.162 14.165 1.00 71.03 C ATOM 69 CD LYS A 6 4.709 19.334 13.876 1.00 72.22 C ATOM 70 CE LYS A 6 5.451 18.013 13.968 1.00 42.22 C ATOM 71 NZ LYS A 6 6.878 18.157 13.597 1.00 33.14 N ATOM 0 H LYS A 6 0.222 18.926 15.496 1.00 44.44 H new ATOM 0 HA LYS A 6 0.544 21.377 14.081 1.00 41.51 H new ATOM 0 HB2 LYS A 6 2.713 20.921 13.068 1.00 32.35 H new ATOM 0 HB3 LYS A 6 2.871 21.172 14.795 1.00 32.35 H new ATOM 0 HG2 LYS A 6 3.096 18.760 15.169 1.00 71.03 H new ATOM 0 HG3 LYS A 6 2.802 18.437 13.472 1.00 71.03 H new ATOM 0 HD2 LYS A 6 4.839 19.757 12.880 1.00 72.22 H new ATOM 0 HD3 LYS A 6 5.139 20.044 14.583 1.00 72.22 H new ATOM 0 HE2 LYS A 6 5.377 17.624 14.984 1.00 42.22 H new ATOM 0 HE3 LYS A 6 4.977 17.283 13.312 1.00 42.22 H new ATOM 0 HZ1 LYS A 6 7.351 17.234 13.672 1.00 33.14 H new ATOM 0 HZ2 LYS A 6 6.949 18.504 12.619 1.00 33.14 H new ATOM 0 HZ3 LYS A 6 7.337 18.834 14.239 1.00 33.14 H new ATOM 85 N GLY A 7 0.234 19.968 11.930 1.00 74.35 N ATOM 86 CA GLY A 7 -0.308 19.166 10.859 1.00 10.52 C ATOM 87 C GLY A 7 0.645 19.065 9.694 1.00 34.21 C ATOM 88 O GLY A 7 0.912 20.063 9.016 1.00 12.41 O ATOM 0 H GLY A 7 0.471 20.926 11.673 1.00 74.35 H new ATOM 0 HA2 GLY A 7 -0.533 18.167 11.232 1.00 10.52 H new ATOM 0 HA3 GLY A 7 -1.249 19.600 10.521 1.00 10.52 H new ATOM 92 N ASP A 8 1.164 17.870 9.462 1.00 24.04 N ATOM 93 CA ASP A 8 2.099 17.642 8.368 1.00 61.42 C ATOM 94 C ASP A 8 1.410 17.862 7.022 1.00 12.35 C ATOM 95 O ASP A 8 0.216 17.573 6.876 1.00 62.22 O ATOM 96 CB ASP A 8 2.708 16.224 8.445 1.00 44.42 C ATOM 97 CG ASP A 8 1.696 15.112 8.218 1.00 45.21 C ATOM 98 OD1 ASP A 8 0.794 14.937 9.067 1.00 70.03 O ATOM 99 OD2 ASP A 8 1.809 14.394 7.197 1.00 65.55 O ATOM 0 H ASP A 8 0.954 17.040 10.017 1.00 24.04 H new ATOM 0 HA ASP A 8 2.913 18.361 8.461 1.00 61.42 H new ATOM 0 HB2 ASP A 8 3.502 16.138 7.703 1.00 44.42 H new ATOM 0 HB3 ASP A 8 3.170 16.089 9.423 1.00 44.42 H new ATOM 104 N PRO A 9 2.144 18.414 6.035 1.00 52.35 N ATOM 105 CA PRO A 9 1.608 18.692 4.698 1.00 70.13 C ATOM 106 C PRO A 9 0.956 17.466 4.073 1.00 42.22 C ATOM 107 O PRO A 9 1.502 16.360 4.132 1.00 41.31 O ATOM 108 CB PRO A 9 2.848 19.116 3.883 1.00 24.13 C ATOM 109 CG PRO A 9 4.023 18.751 4.729 1.00 62.43 C ATOM 110 CD PRO A 9 3.549 18.815 6.147 1.00 53.33 C ATOM 0 HA PRO A 9 0.827 19.451 4.727 1.00 70.13 H new ATOM 0 HB2 PRO A 9 2.881 18.602 2.922 1.00 24.13 H new ATOM 0 HB3 PRO A 9 2.833 20.185 3.672 1.00 24.13 H new ATOM 0 HG2 PRO A 9 4.385 17.752 4.484 1.00 62.43 H new ATOM 0 HG3 PRO A 9 4.851 19.440 4.563 1.00 62.43 H new ATOM 0 HD2 PRO A 9 4.112 18.141 6.793 1.00 53.33 H new ATOM 0 HD3 PRO A 9 3.652 19.817 6.564 1.00 53.33 H new ATOM 118 N LYS A 10 -0.209 17.662 3.479 1.00 44.13 N ATOM 119 CA LYS A 10 -0.948 16.575 2.850 1.00 71.52 C ATOM 120 C LYS A 10 -0.321 16.185 1.515 1.00 31.21 C ATOM 121 O LYS A 10 -0.914 16.370 0.450 1.00 13.02 O ATOM 122 CB LYS A 10 -2.414 16.966 2.654 1.00 3.31 C ATOM 123 CG LYS A 10 -3.136 17.332 3.947 1.00 44.41 C ATOM 124 CD LYS A 10 -3.226 16.152 4.908 1.00 43.32 C ATOM 125 CE LYS A 10 -4.106 15.038 4.358 1.00 41.22 C ATOM 126 NZ LYS A 10 -5.489 15.505 4.090 1.00 4.13 N ATOM 0 H LYS A 10 -0.668 18.571 3.418 1.00 44.13 H new ATOM 0 HA LYS A 10 -0.901 15.711 3.512 1.00 71.52 H new ATOM 0 HB2 LYS A 10 -2.465 17.812 1.969 1.00 3.31 H new ATOM 0 HB3 LYS A 10 -2.940 16.138 2.178 1.00 3.31 H new ATOM 0 HG2 LYS A 10 -2.613 18.156 4.433 1.00 44.41 H new ATOM 0 HG3 LYS A 10 -4.140 17.686 3.713 1.00 44.41 H new ATOM 0 HD2 LYS A 10 -2.226 15.763 5.100 1.00 43.32 H new ATOM 0 HD3 LYS A 10 -3.625 16.492 5.864 1.00 43.32 H new ATOM 0 HE2 LYS A 10 -3.669 14.651 3.437 1.00 41.22 H new ATOM 0 HE3 LYS A 10 -4.133 14.212 5.069 1.00 41.22 H new ATOM 0 HZ1 LYS A 10 -6.111 14.684 3.947 1.00 4.13 H new ATOM 0 HZ2 LYS A 10 -5.831 16.061 4.900 1.00 4.13 H new ATOM 0 HZ3 LYS A 10 -5.496 16.098 3.235 1.00 4.13 H new ATOM 140 N LYS A 11 0.881 15.666 1.582 1.00 24.14 N ATOM 141 CA LYS A 11 1.600 15.241 0.409 1.00 12.02 C ATOM 142 C LYS A 11 1.662 13.726 0.366 1.00 64.43 C ATOM 143 O LYS A 11 2.075 13.092 1.344 1.00 75.24 O ATOM 144 CB LYS A 11 3.022 15.795 0.430 1.00 55.32 C ATOM 145 CG LYS A 11 3.837 15.424 -0.800 1.00 51.21 C ATOM 146 CD LYS A 11 5.306 15.234 -0.464 1.00 75.11 C ATOM 147 CE LYS A 11 5.923 16.481 0.143 1.00 32.43 C ATOM 148 NZ LYS A 11 7.339 16.258 0.517 1.00 60.50 N ATOM 0 H LYS A 11 1.389 15.527 2.456 1.00 24.14 H new ATOM 0 HA LYS A 11 1.079 15.616 -0.472 1.00 12.02 H new ATOM 0 HB2 LYS A 11 2.979 16.881 0.513 1.00 55.32 H new ATOM 0 HB3 LYS A 11 3.534 15.427 1.319 1.00 55.32 H new ATOM 0 HG2 LYS A 11 3.442 14.506 -1.235 1.00 51.21 H new ATOM 0 HG3 LYS A 11 3.734 16.205 -1.554 1.00 51.21 H new ATOM 0 HD2 LYS A 11 5.413 14.402 0.232 1.00 75.11 H new ATOM 0 HD3 LYS A 11 5.852 14.964 -1.368 1.00 75.11 H new ATOM 0 HE2 LYS A 11 5.859 17.304 -0.569 1.00 32.43 H new ATOM 0 HE3 LYS A 11 5.355 16.777 1.025 1.00 32.43 H new ATOM 0 HZ1 LYS A 11 7.731 17.129 0.929 1.00 60.50 H new ATOM 0 HZ2 LYS A 11 7.397 15.489 1.215 1.00 60.50 H new ATOM 0 HZ3 LYS A 11 7.885 15.999 -0.329 1.00 60.50 H new ATOM 162 N PRO A 12 1.237 13.117 -0.747 1.00 61.22 N ATOM 163 CA PRO A 12 1.325 11.673 -0.921 1.00 41.12 C ATOM 164 C PRO A 12 2.777 11.215 -0.881 1.00 33.03 C ATOM 165 O PRO A 12 3.596 11.642 -1.697 1.00 71.53 O ATOM 166 CB PRO A 12 0.729 11.433 -2.315 1.00 44.52 C ATOM 167 CG PRO A 12 -0.071 12.654 -2.605 1.00 65.42 C ATOM 168 CD PRO A 12 0.626 13.779 -1.906 1.00 62.24 C ATOM 0 HA PRO A 12 0.805 11.123 -0.136 1.00 41.12 H new ATOM 0 HB2 PRO A 12 1.512 11.287 -3.060 1.00 44.52 H new ATOM 0 HB3 PRO A 12 0.105 10.539 -2.329 1.00 44.52 H new ATOM 0 HG2 PRO A 12 -0.129 12.837 -3.678 1.00 65.42 H new ATOM 0 HG3 PRO A 12 -1.094 12.545 -2.245 1.00 65.42 H new ATOM 0 HD2 PRO A 12 1.375 14.249 -2.544 1.00 62.24 H new ATOM 0 HD3 PRO A 12 -0.071 14.561 -1.604 1.00 62.24 H new ATOM 176 N ARG A 13 3.093 10.359 0.074 1.00 62.22 N ATOM 177 CA ARG A 13 4.457 9.869 0.237 1.00 52.14 C ATOM 178 C ARG A 13 4.838 8.920 -0.894 1.00 63.14 C ATOM 179 O ARG A 13 6.019 8.732 -1.193 1.00 11.44 O ATOM 180 CB ARG A 13 4.659 9.187 1.611 1.00 55.50 C ATOM 181 CG ARG A 13 3.681 8.055 1.927 1.00 33.40 C ATOM 182 CD ARG A 13 2.424 8.562 2.632 1.00 4.24 C ATOM 183 NE ARG A 13 1.475 7.480 2.902 1.00 44.40 N ATOM 184 CZ ARG A 13 0.176 7.660 3.176 1.00 64.22 C ATOM 185 NH1 ARG A 13 -0.339 8.887 3.226 1.00 70.44 N ATOM 186 NH2 ARG A 13 -0.607 6.608 3.398 1.00 31.12 N ATOM 0 H ARG A 13 2.426 9.987 0.750 1.00 62.22 H new ATOM 0 HA ARG A 13 5.118 10.735 0.196 1.00 52.14 H new ATOM 0 HB2 ARG A 13 5.674 8.792 1.657 1.00 55.50 H new ATOM 0 HB3 ARG A 13 4.577 9.945 2.390 1.00 55.50 H new ATOM 0 HG2 ARG A 13 3.399 7.551 1.002 1.00 33.40 H new ATOM 0 HG3 ARG A 13 4.175 7.314 2.556 1.00 33.40 H new ATOM 0 HD2 ARG A 13 2.703 9.043 3.570 1.00 4.24 H new ATOM 0 HD3 ARG A 13 1.943 9.321 2.015 1.00 4.24 H new ATOM 0 HE ARG A 13 1.827 6.523 2.880 1.00 44.40 H new ATOM 0 HH11 ARG A 13 0.256 9.697 3.055 1.00 70.44 H new ATOM 0 HH12 ARG A 13 -1.329 9.016 3.435 1.00 70.44 H new ATOM 0 HH21 ARG A 13 -0.218 5.666 3.360 1.00 31.12 H new ATOM 0 HH22 ARG A 13 -1.596 6.743 3.607 1.00 31.12 H new ATOM 200 N GLY A 14 3.839 8.322 -1.509 1.00 44.33 N ATOM 201 CA GLY A 14 4.088 7.426 -2.601 1.00 73.10 C ATOM 202 C GLY A 14 3.029 6.373 -2.724 1.00 4.33 C ATOM 203 O GLY A 14 2.045 6.386 -1.988 1.00 0.11 O ATOM 0 H GLY A 14 2.855 8.444 -1.268 1.00 44.33 H new ATOM 0 HA2 GLY A 14 4.142 7.994 -3.530 1.00 73.10 H new ATOM 0 HA3 GLY A 14 5.058 6.948 -2.463 1.00 73.10 H new ATOM 207 N LYS A 15 3.221 5.472 -3.660 1.00 41.13 N ATOM 208 CA LYS A 15 2.307 4.367 -3.852 1.00 42.25 C ATOM 209 C LYS A 15 2.667 3.247 -2.881 1.00 2.15 C ATOM 210 O LYS A 15 3.588 3.409 -2.071 1.00 54.25 O ATOM 211 CB LYS A 15 2.332 3.893 -5.326 1.00 14.53 C ATOM 212 CG LYS A 15 3.728 3.745 -5.954 1.00 32.10 C ATOM 213 CD LYS A 15 4.492 2.573 -5.369 1.00 31.42 C ATOM 214 CE LYS A 15 5.824 2.359 -6.058 1.00 13.32 C ATOM 215 NZ LYS A 15 6.558 1.201 -5.483 1.00 52.13 N ATOM 0 H LYS A 15 4.010 5.483 -4.307 1.00 41.13 H new ATOM 0 HA LYS A 15 1.286 4.686 -3.641 1.00 42.25 H new ATOM 0 HB2 LYS A 15 1.822 2.932 -5.388 1.00 14.53 H new ATOM 0 HB3 LYS A 15 1.757 4.599 -5.925 1.00 14.53 H new ATOM 0 HG2 LYS A 15 3.629 3.612 -7.031 1.00 32.10 H new ATOM 0 HG3 LYS A 15 4.295 4.662 -5.797 1.00 32.10 H new ATOM 0 HD2 LYS A 15 4.658 2.744 -4.305 1.00 31.42 H new ATOM 0 HD3 LYS A 15 3.890 1.669 -5.456 1.00 31.42 H new ATOM 0 HE2 LYS A 15 5.661 2.195 -7.123 1.00 13.32 H new ATOM 0 HE3 LYS A 15 6.432 3.259 -5.964 1.00 13.32 H new ATOM 0 HZ1 LYS A 15 7.424 1.032 -6.033 1.00 52.13 H new ATOM 0 HZ2 LYS A 15 6.809 1.405 -4.495 1.00 52.13 H new ATOM 0 HZ3 LYS A 15 5.954 0.355 -5.519 1.00 52.13 H new ATOM 229 N MET A 16 1.967 2.112 -2.933 1.00 5.40 N ATOM 230 CA MET A 16 2.232 0.995 -2.050 1.00 0.35 C ATOM 231 C MET A 16 3.401 0.178 -2.575 1.00 41.15 C ATOM 232 O MET A 16 3.750 0.264 -3.747 1.00 24.12 O ATOM 233 CB MET A 16 0.978 0.127 -1.926 1.00 61.10 C ATOM 234 CG MET A 16 -0.209 0.861 -1.314 1.00 20.02 C ATOM 235 SD MET A 16 -1.777 -0.010 -1.536 1.00 1.24 S ATOM 236 CE MET A 16 -1.449 -1.543 -0.674 1.00 40.31 C ATOM 0 H MET A 16 1.204 1.950 -3.590 1.00 5.40 H new ATOM 0 HA MET A 16 2.496 1.372 -1.062 1.00 0.35 H new ATOM 0 HB2 MET A 16 0.699 -0.239 -2.914 1.00 61.10 H new ATOM 0 HB3 MET A 16 1.209 -0.747 -1.316 1.00 61.10 H new ATOM 0 HG2 MET A 16 -0.029 1.005 -0.249 1.00 20.02 H new ATOM 0 HG3 MET A 16 -0.285 1.852 -1.761 1.00 20.02 H new ATOM 0 HE1 MET A 16 -2.389 -2.058 -0.477 1.00 40.31 H new ATOM 0 HE2 MET A 16 -0.810 -2.177 -1.289 1.00 40.31 H new ATOM 0 HE3 MET A 16 -0.947 -1.330 0.270 1.00 40.31 H new ATOM 246 N SER A 17 3.992 -0.630 -1.725 1.00 32.55 N ATOM 247 CA SER A 17 5.152 -1.401 -2.117 1.00 61.01 C ATOM 248 C SER A 17 4.725 -2.735 -2.728 1.00 1.14 C ATOM 249 O SER A 17 3.544 -3.102 -2.669 1.00 72.43 O ATOM 250 CB SER A 17 6.046 -1.626 -0.905 1.00 53.45 C ATOM 251 OG SER A 17 6.278 -0.398 -0.228 1.00 14.41 O ATOM 0 H SER A 17 3.691 -0.771 -0.761 1.00 32.55 H new ATOM 0 HA SER A 17 5.711 -0.849 -2.872 1.00 61.01 H new ATOM 0 HB2 SER A 17 5.578 -2.340 -0.227 1.00 53.45 H new ATOM 0 HB3 SER A 17 6.995 -2.060 -1.220 1.00 53.45 H new ATOM 0 HG SER A 17 6.852 -0.557 0.550 1.00 14.41 H new ATOM 257 N SER A 18 5.678 -3.462 -3.290 1.00 11.54 N ATOM 258 CA SER A 18 5.406 -4.747 -3.907 1.00 63.25 C ATOM 259 C SER A 18 4.843 -5.717 -2.878 1.00 33.11 C ATOM 260 O SER A 18 3.859 -6.416 -3.136 1.00 65.13 O ATOM 261 CB SER A 18 6.682 -5.301 -4.521 1.00 13.14 C ATOM 262 OG SER A 18 7.327 -4.312 -5.308 1.00 15.21 O ATOM 0 H SER A 18 6.657 -3.178 -3.330 1.00 11.54 H new ATOM 0 HA SER A 18 4.664 -4.616 -4.695 1.00 63.25 H new ATOM 0 HB2 SER A 18 7.353 -5.641 -3.733 1.00 13.14 H new ATOM 0 HB3 SER A 18 6.448 -6.169 -5.138 1.00 13.14 H new ATOM 0 HG SER A 18 8.299 -4.418 -5.234 1.00 15.21 H new ATOM 268 N TYR A 19 5.483 -5.753 -1.713 1.00 21.20 N ATOM 269 CA TYR A 19 5.034 -6.557 -0.589 1.00 72.53 C ATOM 270 C TYR A 19 3.564 -6.285 -0.260 1.00 54.13 C ATOM 271 O TYR A 19 2.804 -7.207 0.020 1.00 70.10 O ATOM 272 CB TYR A 19 5.928 -6.258 0.626 1.00 15.44 C ATOM 273 CG TYR A 19 5.380 -6.728 1.953 1.00 45.35 C ATOM 274 CD1 TYR A 19 5.180 -8.074 2.210 1.00 34.43 C ATOM 275 CD2 TYR A 19 5.062 -5.815 2.948 1.00 14.10 C ATOM 276 CE1 TYR A 19 4.678 -8.498 3.420 1.00 13.23 C ATOM 277 CE2 TYR A 19 4.562 -6.229 4.162 1.00 53.42 C ATOM 278 CZ TYR A 19 4.371 -7.570 4.396 1.00 11.00 C ATOM 279 OH TYR A 19 3.870 -7.986 5.608 1.00 22.52 O ATOM 0 H TYR A 19 6.332 -5.221 -1.525 1.00 21.20 H new ATOM 0 HA TYR A 19 5.114 -7.612 -0.853 1.00 72.53 H new ATOM 0 HB2 TYR A 19 6.900 -6.724 0.466 1.00 15.44 H new ATOM 0 HB3 TYR A 19 6.095 -5.182 0.679 1.00 15.44 H new ATOM 0 HD1 TYR A 19 5.421 -8.802 1.450 1.00 34.43 H new ATOM 0 HD2 TYR A 19 5.209 -4.761 2.767 1.00 14.10 H new ATOM 0 HE1 TYR A 19 4.525 -9.551 3.605 1.00 13.23 H new ATOM 0 HE2 TYR A 19 4.321 -5.505 4.926 1.00 53.42 H new ATOM 0 HH TYR A 19 3.709 -7.207 6.180 1.00 22.52 H new ATOM 289 N ALA A 20 3.171 -5.022 -0.324 1.00 11.11 N ATOM 290 CA ALA A 20 1.804 -4.632 -0.020 1.00 40.53 C ATOM 291 C ALA A 20 0.825 -5.229 -1.029 1.00 44.24 C ATOM 292 O ALA A 20 -0.217 -5.766 -0.651 1.00 74.30 O ATOM 293 CB ALA A 20 1.685 -3.122 0.017 1.00 22.15 C ATOM 0 H ALA A 20 3.782 -4.248 -0.585 1.00 11.11 H new ATOM 0 HA ALA A 20 1.547 -5.025 0.964 1.00 40.53 H new ATOM 0 HB1 ALA A 20 0.656 -2.844 0.246 1.00 22.15 H new ATOM 0 HB2 ALA A 20 2.348 -2.723 0.785 1.00 22.15 H new ATOM 0 HB3 ALA A 20 1.965 -2.711 -0.953 1.00 22.15 H new ATOM 299 N PHE A 21 1.169 -5.137 -2.313 1.00 74.12 N ATOM 300 CA PHE A 21 0.333 -5.706 -3.374 1.00 14.42 C ATOM 301 C PHE A 21 0.194 -7.220 -3.208 1.00 23.12 C ATOM 302 O PHE A 21 -0.811 -7.818 -3.609 1.00 30.42 O ATOM 303 CB PHE A 21 0.905 -5.380 -4.759 1.00 51.20 C ATOM 304 CG PHE A 21 1.002 -3.909 -5.051 1.00 63.42 C ATOM 305 CD1 PHE A 21 -0.071 -3.065 -4.810 1.00 52.22 C ATOM 306 CD2 PHE A 21 2.171 -3.369 -5.563 1.00 3.40 C ATOM 307 CE1 PHE A 21 0.020 -1.713 -5.075 1.00 33.32 C ATOM 308 CE2 PHE A 21 2.266 -2.018 -5.831 1.00 15.25 C ATOM 309 CZ PHE A 21 1.190 -1.190 -5.586 1.00 55.31 C ATOM 0 H PHE A 21 2.017 -4.676 -2.645 1.00 74.12 H new ATOM 0 HA PHE A 21 -0.656 -5.255 -3.292 1.00 14.42 H new ATOM 0 HB2 PHE A 21 1.897 -5.823 -4.844 1.00 51.20 H new ATOM 0 HB3 PHE A 21 0.280 -5.850 -5.518 1.00 51.20 H new ATOM 0 HD1 PHE A 21 -0.989 -3.470 -4.410 1.00 52.22 H new ATOM 0 HD2 PHE A 21 3.017 -4.012 -5.755 1.00 3.40 H new ATOM 0 HE1 PHE A 21 -0.823 -1.066 -4.883 1.00 33.32 H new ATOM 0 HE2 PHE A 21 3.182 -1.610 -6.232 1.00 15.25 H new ATOM 0 HZ PHE A 21 1.264 -0.133 -5.794 1.00 55.31 H new ATOM 319 N PHE A 22 1.204 -7.832 -2.618 1.00 51.42 N ATOM 320 CA PHE A 22 1.186 -9.256 -2.364 1.00 23.32 C ATOM 321 C PHE A 22 0.236 -9.584 -1.218 1.00 45.42 C ATOM 322 O PHE A 22 -0.611 -10.465 -1.343 1.00 3.03 O ATOM 323 CB PHE A 22 2.599 -9.764 -2.050 1.00 33.51 C ATOM 324 CG PHE A 22 2.654 -11.218 -1.660 1.00 35.41 C ATOM 325 CD1 PHE A 22 2.298 -12.206 -2.564 1.00 73.01 C ATOM 326 CD2 PHE A 22 3.059 -11.593 -0.388 1.00 11.01 C ATOM 327 CE1 PHE A 22 2.345 -13.539 -2.209 1.00 22.12 C ATOM 328 CE2 PHE A 22 3.106 -12.924 -0.027 1.00 64.31 C ATOM 329 CZ PHE A 22 2.748 -13.898 -0.940 1.00 2.45 C ATOM 0 H PHE A 22 2.052 -7.359 -2.305 1.00 51.42 H new ATOM 0 HA PHE A 22 0.829 -9.760 -3.262 1.00 23.32 H new ATOM 0 HB2 PHE A 22 3.233 -9.608 -2.923 1.00 33.51 H new ATOM 0 HB3 PHE A 22 3.018 -9.165 -1.241 1.00 33.51 H new ATOM 0 HD1 PHE A 22 1.980 -11.930 -3.558 1.00 73.01 H new ATOM 0 HD2 PHE A 22 3.341 -10.835 0.328 1.00 11.01 H new ATOM 0 HE1 PHE A 22 2.067 -14.299 -2.924 1.00 22.12 H new ATOM 0 HE2 PHE A 22 3.422 -13.204 0.967 1.00 64.31 H new ATOM 0 HZ PHE A 22 2.784 -14.940 -0.660 1.00 2.45 H new ATOM 339 N VAL A 23 0.367 -8.840 -0.120 1.00 33.44 N ATOM 340 CA VAL A 23 -0.442 -9.060 1.085 1.00 52.13 C ATOM 341 C VAL A 23 -1.938 -8.916 0.814 1.00 54.14 C ATOM 342 O VAL A 23 -2.749 -9.676 1.345 1.00 72.22 O ATOM 343 CB VAL A 23 -0.035 -8.092 2.221 1.00 10.30 C ATOM 344 CG1 VAL A 23 -0.953 -8.247 3.424 1.00 32.25 C ATOM 345 CG2 VAL A 23 1.401 -8.331 2.627 1.00 65.20 C ATOM 0 H VAL A 23 1.032 -8.071 -0.038 1.00 33.44 H new ATOM 0 HA VAL A 23 -0.247 -10.086 1.396 1.00 52.13 H new ATOM 0 HB VAL A 23 -0.131 -7.073 1.847 1.00 10.30 H new ATOM 0 HG11 VAL A 23 -0.645 -7.555 4.208 1.00 32.25 H new ATOM 0 HG12 VAL A 23 -1.979 -8.028 3.129 1.00 32.25 H new ATOM 0 HG13 VAL A 23 -0.893 -9.269 3.798 1.00 32.25 H new ATOM 0 HG21 VAL A 23 1.672 -7.642 3.427 1.00 65.20 H new ATOM 0 HG22 VAL A 23 1.514 -9.357 2.977 1.00 65.20 H new ATOM 0 HG23 VAL A 23 2.054 -8.166 1.770 1.00 65.20 H new ATOM 355 N GLN A 24 -2.297 -7.987 -0.047 1.00 41.52 N ATOM 356 CA GLN A 24 -3.704 -7.745 -0.312 1.00 43.11 C ATOM 357 C GLN A 24 -4.272 -8.848 -1.193 1.00 72.45 C ATOM 358 O GLN A 24 -5.475 -9.097 -1.201 1.00 12.24 O ATOM 359 CB GLN A 24 -3.922 -6.367 -0.949 1.00 54.02 C ATOM 360 CG GLN A 24 -3.196 -6.162 -2.268 1.00 23.11 C ATOM 361 CD GLN A 24 -3.464 -4.798 -2.881 1.00 51.45 C ATOM 362 OE1 GLN A 24 -3.456 -4.642 -4.099 1.00 3.02 O ATOM 363 NE2 GLN A 24 -3.705 -3.805 -2.047 1.00 61.41 N ATOM 0 H GLN A 24 -1.650 -7.396 -0.568 1.00 41.52 H new ATOM 0 HA GLN A 24 -4.236 -7.753 0.640 1.00 43.11 H new ATOM 0 HB2 GLN A 24 -4.990 -6.220 -1.110 1.00 54.02 H new ATOM 0 HB3 GLN A 24 -3.596 -5.600 -0.246 1.00 54.02 H new ATOM 0 HG2 GLN A 24 -2.124 -6.280 -2.110 1.00 23.11 H new ATOM 0 HG3 GLN A 24 -3.502 -6.937 -2.970 1.00 23.11 H new ATOM 0 HE21 GLN A 24 -3.703 -3.972 -1.041 1.00 61.41 H new ATOM 0 HE22 GLN A 24 -3.893 -2.870 -2.408 1.00 61.41 H new ATOM 372 N THR A 25 -3.395 -9.509 -1.915 1.00 31.34 N ATOM 373 CA THR A 25 -3.792 -10.582 -2.789 1.00 50.54 C ATOM 374 C THR A 25 -3.757 -11.936 -2.063 1.00 43.15 C ATOM 375 O THR A 25 -4.760 -12.630 -1.995 1.00 72.32 O ATOM 376 CB THR A 25 -2.898 -10.625 -4.044 1.00 30.43 C ATOM 377 OG1 THR A 25 -2.894 -9.325 -4.666 1.00 30.31 O ATOM 378 CG2 THR A 25 -3.410 -11.659 -5.041 1.00 52.43 C ATOM 0 H THR A 25 -2.393 -9.317 -1.911 1.00 31.34 H new ATOM 0 HA THR A 25 -4.819 -10.391 -3.099 1.00 50.54 H new ATOM 0 HB THR A 25 -1.888 -10.904 -3.744 1.00 30.43 H new ATOM 0 HG1 THR A 25 -2.163 -8.788 -4.296 1.00 30.31 H new ATOM 0 HG21 THR A 25 -2.763 -11.671 -5.918 1.00 52.43 H new ATOM 0 HG22 THR A 25 -3.409 -12.645 -4.576 1.00 52.43 H new ATOM 0 HG23 THR A 25 -4.425 -11.402 -5.343 1.00 52.43 H new ATOM 386 N CYS A 26 -2.597 -12.311 -1.542 1.00 64.32 N ATOM 387 CA CYS A 26 -2.451 -13.587 -0.826 1.00 74.45 C ATOM 388 C CYS A 26 -3.544 -13.804 0.242 1.00 54.13 C ATOM 389 O CYS A 26 -3.989 -14.933 0.457 1.00 35.10 O ATOM 390 CB CYS A 26 -1.044 -13.711 -0.198 1.00 55.01 C ATOM 391 SG CYS A 26 -0.623 -12.420 1.030 1.00 51.35 S ATOM 0 H CYS A 26 -1.742 -11.758 -1.597 1.00 64.32 H new ATOM 0 HA CYS A 26 -2.576 -14.374 -1.570 1.00 74.45 H new ATOM 0 HB2 CYS A 26 -0.962 -14.687 0.281 1.00 55.01 H new ATOM 0 HB3 CYS A 26 -0.303 -13.685 -0.997 1.00 55.01 H new ATOM 396 N ARG A 27 -3.972 -12.729 0.902 1.00 45.11 N ATOM 397 CA ARG A 27 -5.002 -12.852 1.938 1.00 22.34 C ATOM 398 C ARG A 27 -6.402 -13.065 1.363 1.00 64.52 C ATOM 399 O ARG A 27 -7.194 -13.827 1.930 1.00 2.21 O ATOM 400 CB ARG A 27 -4.997 -11.661 2.906 1.00 61.40 C ATOM 401 CG ARG A 27 -3.688 -11.468 3.677 1.00 52.25 C ATOM 402 CD ARG A 27 -2.876 -12.759 3.786 1.00 1.54 C ATOM 403 NE ARG A 27 -3.600 -13.854 4.442 1.00 43.44 N ATOM 404 CZ ARG A 27 -3.291 -15.153 4.287 1.00 1.23 C ATOM 405 NH1 ARG A 27 -2.307 -15.509 3.473 1.00 20.44 N ATOM 406 NH2 ARG A 27 -3.962 -16.086 4.951 1.00 62.34 N ATOM 0 H ARG A 27 -3.631 -11.780 0.745 1.00 45.11 H new ATOM 0 HA ARG A 27 -4.741 -13.748 2.500 1.00 22.34 H new ATOM 0 HB2 ARG A 27 -5.209 -10.752 2.343 1.00 61.40 H new ATOM 0 HB3 ARG A 27 -5.809 -11.789 3.622 1.00 61.40 H new ATOM 0 HG2 ARG A 27 -3.087 -10.706 3.181 1.00 52.25 H new ATOM 0 HG3 ARG A 27 -3.911 -11.097 4.678 1.00 52.25 H new ATOM 0 HD2 ARG A 27 -2.580 -13.078 2.787 1.00 1.54 H new ATOM 0 HD3 ARG A 27 -1.960 -12.557 4.341 1.00 1.54 H new ATOM 0 HE ARG A 27 -4.383 -13.616 5.051 1.00 43.44 H new ATOM 0 HH11 ARG A 27 -1.784 -14.797 2.964 1.00 20.44 H new ATOM 0 HH12 ARG A 27 -2.073 -16.495 3.356 1.00 20.44 H new ATOM 0 HH21 ARG A 27 -4.717 -15.819 5.583 1.00 62.34 H new ATOM 0 HH22 ARG A 27 -3.723 -17.070 4.829 1.00 62.34 H new ATOM 420 N GLU A 28 -6.713 -12.417 0.236 1.00 33.10 N ATOM 421 CA GLU A 28 -8.042 -12.562 -0.371 1.00 54.32 C ATOM 422 C GLU A 28 -8.230 -13.980 -0.894 1.00 54.02 C ATOM 423 O GLU A 28 -9.348 -14.488 -0.952 1.00 54.53 O ATOM 424 CB GLU A 28 -8.274 -11.536 -1.502 1.00 63.24 C ATOM 425 CG GLU A 28 -7.389 -11.737 -2.721 1.00 44.04 C ATOM 426 CD GLU A 28 -7.686 -10.771 -3.841 1.00 71.03 C ATOM 427 OE1 GLU A 28 -7.327 -9.584 -3.728 1.00 65.53 O ATOM 428 OE2 GLU A 28 -8.279 -11.196 -4.856 1.00 1.05 O ATOM 0 H GLU A 28 -6.077 -11.798 -0.267 1.00 33.10 H new ATOM 0 HA GLU A 28 -8.782 -12.365 0.405 1.00 54.32 H new ATOM 0 HB2 GLU A 28 -9.317 -11.586 -1.813 1.00 63.24 H new ATOM 0 HB3 GLU A 28 -8.106 -10.534 -1.107 1.00 63.24 H new ATOM 0 HG2 GLU A 28 -6.345 -11.629 -2.425 1.00 44.04 H new ATOM 0 HG3 GLU A 28 -7.513 -12.756 -3.087 1.00 44.04 H new ATOM 435 N GLU A 29 -7.115 -14.621 -1.252 1.00 52.30 N ATOM 436 CA GLU A 29 -7.137 -15.988 -1.754 1.00 12.53 C ATOM 437 C GLU A 29 -7.744 -16.927 -0.721 1.00 41.21 C ATOM 438 O GLU A 29 -8.430 -17.892 -1.067 1.00 61.11 O ATOM 439 CB GLU A 29 -5.723 -16.447 -2.107 1.00 71.31 C ATOM 440 CG GLU A 29 -5.513 -16.722 -3.586 1.00 72.12 C ATOM 441 CD GLU A 29 -6.391 -17.847 -4.101 1.00 62.42 C ATOM 442 OE1 GLU A 29 -6.073 -19.028 -3.833 1.00 24.52 O ATOM 443 OE2 GLU A 29 -7.397 -17.561 -4.778 1.00 50.24 O ATOM 0 H GLU A 29 -6.183 -14.209 -1.201 1.00 52.30 H new ATOM 0 HA GLU A 29 -7.752 -16.012 -2.654 1.00 12.53 H new ATOM 0 HB2 GLU A 29 -5.014 -15.684 -1.786 1.00 71.31 H new ATOM 0 HB3 GLU A 29 -5.495 -17.352 -1.544 1.00 71.31 H new ATOM 0 HG2 GLU A 29 -5.721 -15.815 -4.153 1.00 72.12 H new ATOM 0 HG3 GLU A 29 -4.467 -16.974 -3.760 1.00 72.12 H new ATOM 450 N HIS A 30 -7.499 -16.636 0.549 1.00 22.12 N ATOM 451 CA HIS A 30 -8.035 -17.450 1.623 1.00 21.21 C ATOM 452 C HIS A 30 -9.543 -17.301 1.712 1.00 65.23 C ATOM 453 O HIS A 30 -10.234 -18.254 2.007 1.00 61.24 O ATOM 454 CB HIS A 30 -7.393 -17.091 2.966 1.00 74.24 C ATOM 455 CG HIS A 30 -7.846 -17.970 4.111 1.00 41.51 C ATOM 456 ND1 HIS A 30 -7.193 -19.121 4.481 1.00 30.14 N ATOM 457 CD2 HIS A 30 -8.902 -17.856 4.960 1.00 42.14 C ATOM 458 CE1 HIS A 30 -7.820 -19.678 5.496 1.00 13.25 C ATOM 459 NE2 HIS A 30 -8.856 -18.931 5.806 1.00 25.53 N ATOM 0 H HIS A 30 -6.934 -15.844 0.857 1.00 22.12 H new ATOM 0 HA HIS A 30 -7.797 -18.489 1.396 1.00 21.21 H new ATOM 0 HB2 HIS A 30 -6.309 -17.163 2.871 1.00 74.24 H new ATOM 0 HB3 HIS A 30 -7.624 -16.053 3.203 1.00 74.24 H new ATOM 0 HD2 HIS A 30 -9.638 -17.066 4.966 1.00 42.14 H new ATOM 0 HE1 HIS A 30 -7.532 -20.594 5.990 1.00 13.25 H new ATOM 0 HE2 HIS A 30 -9.520 -19.122 6.557 1.00 25.53 H new ATOM 468 N LYS A 31 -10.045 -16.103 1.458 1.00 13.14 N ATOM 469 CA LYS A 31 -11.485 -15.855 1.518 1.00 23.10 C ATOM 470 C LYS A 31 -12.178 -16.520 0.335 1.00 24.52 C ATOM 471 O LYS A 31 -13.261 -17.093 0.466 1.00 23.31 O ATOM 472 CB LYS A 31 -11.769 -14.348 1.501 1.00 71.35 C ATOM 473 CG LYS A 31 -11.071 -13.557 2.603 1.00 14.11 C ATOM 474 CD LYS A 31 -11.542 -13.978 3.986 1.00 34.20 C ATOM 475 CE LYS A 31 -10.947 -13.089 5.071 1.00 74.02 C ATOM 476 NZ LYS A 31 -11.323 -11.662 4.897 1.00 54.54 N ATOM 0 H LYS A 31 -9.484 -15.288 1.209 1.00 13.14 H new ATOM 0 HA LYS A 31 -11.871 -16.277 2.446 1.00 23.10 H new ATOM 0 HB2 LYS A 31 -11.465 -13.945 0.535 1.00 71.35 H new ATOM 0 HB3 LYS A 31 -12.845 -14.193 1.587 1.00 71.35 H new ATOM 0 HG2 LYS A 31 -9.993 -13.701 2.527 1.00 14.11 H new ATOM 0 HG3 LYS A 31 -11.261 -12.493 2.463 1.00 14.11 H new ATOM 0 HD2 LYS A 31 -12.630 -13.931 4.031 1.00 34.20 H new ATOM 0 HD3 LYS A 31 -11.260 -15.015 4.168 1.00 34.20 H new ATOM 0 HE2 LYS A 31 -11.285 -13.435 6.048 1.00 74.02 H new ATOM 0 HE3 LYS A 31 -9.861 -13.181 5.058 1.00 74.02 H new ATOM 0 HZ1 LYS A 31 -11.167 -11.151 5.789 1.00 54.54 H new ATOM 0 HZ2 LYS A 31 -10.739 -11.238 4.148 1.00 54.54 H new ATOM 0 HZ3 LYS A 31 -12.326 -11.597 4.631 1.00 54.54 H new ATOM 490 N LYS A 32 -11.531 -16.432 -0.813 1.00 21.21 N ATOM 491 CA LYS A 32 -12.049 -17.015 -2.047 1.00 32.10 C ATOM 492 C LYS A 32 -12.216 -18.529 -1.913 1.00 5.44 C ATOM 493 O LYS A 32 -13.195 -19.105 -2.387 1.00 71.43 O ATOM 494 CB LYS A 32 -11.099 -16.713 -3.208 1.00 65.14 C ATOM 495 CG LYS A 32 -10.941 -15.233 -3.515 1.00 2.50 C ATOM 496 CD LYS A 32 -9.814 -14.984 -4.510 1.00 13.22 C ATOM 497 CE LYS A 32 -10.085 -15.645 -5.854 1.00 22.43 C ATOM 498 NZ LYS A 32 -11.299 -15.104 -6.505 1.00 43.33 N ATOM 0 H LYS A 32 -10.635 -15.957 -0.921 1.00 21.21 H new ATOM 0 HA LYS A 32 -13.025 -16.572 -2.243 1.00 32.10 H new ATOM 0 HB2 LYS A 32 -10.119 -17.132 -2.979 1.00 65.14 H new ATOM 0 HB3 LYS A 32 -11.462 -17.221 -4.101 1.00 65.14 H new ATOM 0 HG2 LYS A 32 -11.876 -14.843 -3.918 1.00 2.50 H new ATOM 0 HG3 LYS A 32 -10.739 -14.689 -2.592 1.00 2.50 H new ATOM 0 HD2 LYS A 32 -9.687 -13.911 -4.653 1.00 13.22 H new ATOM 0 HD3 LYS A 32 -8.878 -15.364 -4.101 1.00 13.22 H new ATOM 0 HE2 LYS A 32 -9.227 -15.498 -6.509 1.00 22.43 H new ATOM 0 HE3 LYS A 32 -10.198 -16.720 -5.713 1.00 22.43 H new ATOM 0 HZ1 LYS A 32 -11.345 -15.440 -7.488 1.00 43.33 H new ATOM 0 HZ2 LYS A 32 -12.143 -15.426 -5.989 1.00 43.33 H new ATOM 0 HZ3 LYS A 32 -11.264 -14.065 -6.496 1.00 43.33 H new ATOM 512 N LYS A 33 -11.248 -19.161 -1.271 1.00 15.23 N ATOM 513 CA LYS A 33 -11.261 -20.615 -1.125 1.00 64.04 C ATOM 514 C LYS A 33 -11.893 -21.060 0.201 1.00 72.21 C ATOM 515 O LYS A 33 -12.385 -22.179 0.314 1.00 11.31 O ATOM 516 CB LYS A 33 -9.839 -21.171 -1.271 1.00 12.34 C ATOM 517 CG LYS A 33 -9.112 -20.660 -2.519 1.00 54.41 C ATOM 518 CD LYS A 33 -9.856 -21.025 -3.798 1.00 1.34 C ATOM 519 CE LYS A 33 -9.371 -20.203 -4.989 1.00 53.23 C ATOM 520 NZ LYS A 33 -7.930 -20.397 -5.270 1.00 24.54 N ATOM 0 H LYS A 33 -10.446 -18.698 -0.843 1.00 15.23 H new ATOM 0 HA LYS A 33 -11.885 -21.022 -1.921 1.00 64.04 H new ATOM 0 HB2 LYS A 33 -9.260 -20.904 -0.387 1.00 12.34 H new ATOM 0 HB3 LYS A 33 -9.884 -22.260 -1.306 1.00 12.34 H new ATOM 0 HG2 LYS A 33 -9.003 -19.577 -2.458 1.00 54.41 H new ATOM 0 HG3 LYS A 33 -8.107 -21.080 -2.551 1.00 54.41 H new ATOM 0 HD2 LYS A 33 -9.719 -22.086 -4.008 1.00 1.34 H new ATOM 0 HD3 LYS A 33 -10.925 -20.864 -3.656 1.00 1.34 H new ATOM 0 HE2 LYS A 33 -9.949 -20.475 -5.872 1.00 53.23 H new ATOM 0 HE3 LYS A 33 -9.560 -19.147 -4.797 1.00 53.23 H new ATOM 0 HZ1 LYS A 33 -7.658 -19.829 -6.098 1.00 24.54 H new ATOM 0 HZ2 LYS A 33 -7.372 -20.096 -4.446 1.00 24.54 H new ATOM 0 HZ3 LYS A 33 -7.746 -21.402 -5.464 1.00 24.54 H new ATOM 534 N HIS A 34 -11.872 -20.189 1.195 1.00 11.11 N ATOM 535 CA HIS A 34 -12.461 -20.490 2.503 1.00 22.25 C ATOM 536 C HIS A 34 -13.348 -19.332 2.959 1.00 43.12 C ATOM 537 O HIS A 34 -12.860 -18.342 3.512 1.00 63.24 O ATOM 538 CB HIS A 34 -11.372 -20.767 3.556 1.00 21.42 C ATOM 539 CG HIS A 34 -10.536 -21.983 3.278 1.00 4.24 C ATOM 540 ND1 HIS A 34 -10.846 -23.239 3.751 1.00 54.41 N ATOM 541 CD2 HIS A 34 -9.392 -22.126 2.573 1.00 71.04 C ATOM 542 CE1 HIS A 34 -9.930 -24.098 3.350 1.00 31.31 C ATOM 543 NE2 HIS A 34 -9.037 -23.447 2.634 1.00 63.43 N ATOM 0 H HIS A 34 -11.453 -19.261 1.128 1.00 11.11 H new ATOM 0 HA HIS A 34 -13.068 -21.389 2.400 1.00 22.25 H new ATOM 0 HB2 HIS A 34 -10.717 -19.898 3.621 1.00 21.42 H new ATOM 0 HB3 HIS A 34 -11.847 -20.882 4.530 1.00 21.42 H new ATOM 0 HD2 HIS A 34 -8.857 -21.343 2.057 1.00 71.04 H new ATOM 0 HE1 HIS A 34 -9.915 -25.155 3.571 1.00 31.31 H new ATOM 0 HE2 HIS A 34 -8.214 -23.860 2.196 1.00 63.43 H new ATOM 552 N PRO A 35 -14.666 -19.440 2.718 1.00 61.53 N ATOM 553 CA PRO A 35 -15.634 -18.382 3.051 1.00 55.32 C ATOM 554 C PRO A 35 -15.819 -18.172 4.555 1.00 53.42 C ATOM 555 O PRO A 35 -16.331 -17.130 4.981 1.00 12.33 O ATOM 556 CB PRO A 35 -16.949 -18.881 2.429 1.00 41.34 C ATOM 557 CG PRO A 35 -16.555 -19.981 1.502 1.00 32.12 C ATOM 558 CD PRO A 35 -15.322 -20.590 2.088 1.00 11.13 C ATOM 0 HA PRO A 35 -15.295 -17.417 2.675 1.00 55.32 H new ATOM 0 HB2 PRO A 35 -17.635 -19.240 3.196 1.00 41.34 H new ATOM 0 HB3 PRO A 35 -17.460 -18.080 1.894 1.00 41.34 H new ATOM 0 HG2 PRO A 35 -17.351 -20.720 1.413 1.00 32.12 H new ATOM 0 HG3 PRO A 35 -16.363 -19.597 0.500 1.00 32.12 H new ATOM 0 HD2 PRO A 35 -15.560 -21.369 2.813 1.00 11.13 H new ATOM 0 HD3 PRO A 35 -14.693 -21.047 1.324 1.00 11.13 H new ATOM 566 N ASP A 36 -15.428 -19.163 5.354 1.00 11.44 N ATOM 567 CA ASP A 36 -15.554 -19.094 6.815 1.00 14.23 C ATOM 568 C ASP A 36 -14.914 -17.831 7.398 1.00 53.15 C ATOM 569 O ASP A 36 -15.469 -17.219 8.309 1.00 32.23 O ATOM 570 CB ASP A 36 -14.933 -20.348 7.441 1.00 75.30 C ATOM 571 CG ASP A 36 -14.852 -20.292 8.951 1.00 21.31 C ATOM 572 OD1 ASP A 36 -15.905 -20.366 9.614 1.00 32.24 O ATOM 573 OD2 ASP A 36 -13.726 -20.201 9.484 1.00 14.51 O ATOM 0 H ASP A 36 -15.017 -20.032 5.013 1.00 11.44 H new ATOM 0 HA ASP A 36 -16.616 -19.047 7.056 1.00 14.23 H new ATOM 0 HB2 ASP A 36 -15.520 -21.219 7.149 1.00 75.30 H new ATOM 0 HB3 ASP A 36 -13.931 -20.488 7.036 1.00 75.30 H new ATOM 578 N ALA A 37 -13.766 -17.437 6.846 1.00 51.13 N ATOM 579 CA ALA A 37 -13.033 -16.244 7.293 1.00 24.45 C ATOM 580 C ALA A 37 -12.635 -16.339 8.774 1.00 70.25 C ATOM 581 O ALA A 37 -11.617 -16.955 9.096 1.00 5.54 O ATOM 582 CB ALA A 37 -13.823 -14.969 7.006 1.00 41.00 C ATOM 0 H ALA A 37 -13.315 -17.933 6.077 1.00 51.13 H new ATOM 0 HA ALA A 37 -12.109 -16.197 6.717 1.00 24.45 H new ATOM 0 HB1 ALA A 37 -13.255 -14.104 7.348 1.00 41.00 H new ATOM 0 HB2 ALA A 37 -14.001 -14.885 5.934 1.00 41.00 H new ATOM 0 HB3 ALA A 37 -14.778 -15.007 7.531 1.00 41.00 H new ATOM 588 N SER A 38 -13.474 -15.773 9.677 1.00 3.22 N ATOM 589 CA SER A 38 -13.242 -15.781 11.136 1.00 72.33 C ATOM 590 C SER A 38 -11.778 -15.441 11.512 1.00 14.12 C ATOM 591 O SER A 38 -11.239 -15.965 12.494 1.00 10.33 O ATOM 592 CB SER A 38 -13.653 -17.138 11.727 1.00 72.11 C ATOM 593 OG SER A 38 -13.649 -17.105 13.149 1.00 25.24 O ATOM 0 H SER A 38 -14.335 -15.296 9.408 1.00 3.22 H new ATOM 0 HA SER A 38 -13.863 -14.995 11.566 1.00 72.33 H new ATOM 0 HB2 SER A 38 -14.647 -17.406 11.370 1.00 72.11 H new ATOM 0 HB3 SER A 38 -12.969 -17.912 11.377 1.00 72.11 H new ATOM 0 HG SER A 38 -12.801 -16.729 13.465 1.00 25.24 H new ATOM 599 N VAL A 39 -11.147 -14.568 10.746 1.00 31.01 N ATOM 600 CA VAL A 39 -9.759 -14.198 11.000 1.00 54.31 C ATOM 601 C VAL A 39 -9.636 -12.686 11.218 1.00 63.40 C ATOM 602 O VAL A 39 -10.641 -11.997 11.429 1.00 1.21 O ATOM 603 CB VAL A 39 -8.831 -14.633 9.836 1.00 60.21 C ATOM 604 CG1 VAL A 39 -8.654 -16.143 9.828 1.00 14.31 C ATOM 605 CG2 VAL A 39 -9.386 -14.155 8.502 1.00 21.14 C ATOM 0 H VAL A 39 -11.570 -14.101 9.944 1.00 31.01 H new ATOM 0 HA VAL A 39 -9.444 -14.720 11.903 1.00 54.31 H new ATOM 0 HB VAL A 39 -7.854 -14.173 9.987 1.00 60.21 H new ATOM 0 HG11 VAL A 39 -8.000 -16.428 9.004 1.00 14.31 H new ATOM 0 HG12 VAL A 39 -8.210 -16.462 10.771 1.00 14.31 H new ATOM 0 HG13 VAL A 39 -9.625 -16.622 9.703 1.00 14.31 H new ATOM 0 HG21 VAL A 39 -8.721 -14.470 7.698 1.00 21.14 H new ATOM 0 HG22 VAL A 39 -10.375 -14.585 8.344 1.00 21.14 H new ATOM 0 HG23 VAL A 39 -9.460 -13.068 8.507 1.00 21.14 H new ATOM 615 N ASN A 40 -8.415 -12.177 11.163 1.00 33.44 N ATOM 616 CA ASN A 40 -8.173 -10.751 11.330 1.00 43.25 C ATOM 617 C ASN A 40 -6.900 -10.358 10.592 1.00 31.10 C ATOM 618 O ASN A 40 -5.871 -11.015 10.726 1.00 21.31 O ATOM 619 CB ASN A 40 -8.122 -10.346 12.821 1.00 13.24 C ATOM 620 CG ASN A 40 -6.888 -10.833 13.558 1.00 74.45 C ATOM 621 OD1 ASN A 40 -6.848 -11.962 14.050 1.00 51.14 O ATOM 622 ND2 ASN A 40 -5.890 -9.970 13.677 1.00 15.21 N ATOM 0 H ASN A 40 -7.574 -12.731 11.004 1.00 33.44 H new ATOM 0 HA ASN A 40 -9.010 -10.204 10.895 1.00 43.25 H new ATOM 0 HB2 ASN A 40 -8.168 -9.259 12.892 1.00 13.24 H new ATOM 0 HB3 ASN A 40 -9.008 -10.736 13.322 1.00 13.24 H new ATOM 0 HD21 ASN A 40 -5.049 -10.231 14.191 1.00 15.21 H new ATOM 0 HD22 ASN A 40 -5.963 -9.045 13.254 1.00 15.21 H new ATOM 629 N PHE A 41 -6.981 -9.260 9.858 1.00 72.21 N ATOM 630 CA PHE A 41 -5.917 -8.818 8.936 1.00 24.21 C ATOM 631 C PHE A 41 -4.524 -8.734 9.577 1.00 12.21 C ATOM 632 O PHE A 41 -3.561 -9.279 9.034 1.00 44.04 O ATOM 633 CB PHE A 41 -6.295 -7.477 8.305 1.00 45.52 C ATOM 634 CG PHE A 41 -5.427 -7.077 7.142 1.00 75.23 C ATOM 635 CD1 PHE A 41 -5.558 -7.711 5.916 1.00 44.24 C ATOM 636 CD2 PHE A 41 -4.486 -6.067 7.273 1.00 55.42 C ATOM 637 CE1 PHE A 41 -4.766 -7.346 4.843 1.00 11.33 C ATOM 638 CE2 PHE A 41 -3.693 -5.698 6.203 1.00 20.51 C ATOM 639 CZ PHE A 41 -3.834 -6.338 4.988 1.00 0.45 C ATOM 0 H PHE A 41 -7.789 -8.637 9.877 1.00 72.21 H new ATOM 0 HA PHE A 41 -5.843 -9.588 8.168 1.00 24.21 H new ATOM 0 HB2 PHE A 41 -7.332 -7.524 7.971 1.00 45.52 H new ATOM 0 HB3 PHE A 41 -6.241 -6.701 9.068 1.00 45.52 H new ATOM 0 HD1 PHE A 41 -6.287 -8.499 5.798 1.00 44.24 H new ATOM 0 HD2 PHE A 41 -4.372 -5.563 8.221 1.00 55.42 H new ATOM 0 HE1 PHE A 41 -4.876 -7.848 3.893 1.00 11.33 H new ATOM 0 HE2 PHE A 41 -2.964 -4.910 6.317 1.00 20.51 H new ATOM 0 HZ PHE A 41 -3.215 -6.050 4.151 1.00 0.45 H new ATOM 649 N SER A 42 -4.435 -8.018 10.692 1.00 41.00 N ATOM 650 CA SER A 42 -3.156 -7.798 11.398 1.00 62.33 C ATOM 651 C SER A 42 -2.230 -9.048 11.400 1.00 63.14 C ATOM 652 O SER A 42 -1.082 -8.968 10.951 1.00 34.02 O ATOM 653 CB SER A 42 -3.427 -7.331 12.824 1.00 4.21 C ATOM 654 OG SER A 42 -4.214 -6.147 12.823 1.00 53.15 O ATOM 0 H SER A 42 -5.236 -7.572 11.138 1.00 41.00 H new ATOM 0 HA SER A 42 -2.619 -7.024 10.849 1.00 62.33 H new ATOM 0 HB2 SER A 42 -3.942 -8.116 13.377 1.00 4.21 H new ATOM 0 HB3 SER A 42 -2.483 -7.146 13.337 1.00 4.21 H new ATOM 0 HG SER A 42 -4.379 -5.863 13.746 1.00 53.15 H new ATOM 660 N GLU A 43 -2.731 -10.193 11.882 1.00 73.04 N ATOM 661 CA GLU A 43 -1.918 -11.424 11.913 1.00 43.51 C ATOM 662 C GLU A 43 -2.187 -12.283 10.676 1.00 25.32 C ATOM 663 O GLU A 43 -1.408 -13.158 10.325 1.00 44.41 O ATOM 664 CB GLU A 43 -2.185 -12.224 13.183 1.00 4.13 C ATOM 665 CG GLU A 43 -3.612 -12.714 13.326 1.00 31.33 C ATOM 666 CD GLU A 43 -3.791 -13.577 14.547 1.00 53.14 C ATOM 667 OE1 GLU A 43 -4.080 -13.031 15.627 1.00 61.25 O ATOM 668 OE2 GLU A 43 -3.622 -14.804 14.440 1.00 61.44 O ATOM 0 H GLU A 43 -3.677 -10.297 12.250 1.00 73.04 H new ATOM 0 HA GLU A 43 -0.868 -11.131 11.909 1.00 43.51 H new ATOM 0 HB2 GLU A 43 -1.515 -13.083 13.204 1.00 4.13 H new ATOM 0 HB3 GLU A 43 -1.938 -11.606 14.046 1.00 4.13 H new ATOM 0 HG2 GLU A 43 -4.285 -11.859 13.384 1.00 31.33 H new ATOM 0 HG3 GLU A 43 -3.892 -13.280 12.438 1.00 31.33 H new ATOM 675 N PHE A 44 -3.294 -11.998 10.035 1.00 52.41 N ATOM 676 CA PHE A 44 -3.650 -12.700 8.800 1.00 52.41 C ATOM 677 C PHE A 44 -2.588 -12.468 7.733 1.00 74.35 C ATOM 678 O PHE A 44 -2.412 -13.274 6.835 1.00 74.42 O ATOM 679 CB PHE A 44 -5.011 -12.226 8.293 1.00 2.21 C ATOM 680 CG PHE A 44 -5.710 -13.186 7.383 1.00 12.42 C ATOM 681 CD1 PHE A 44 -5.803 -14.528 7.711 1.00 20.02 C ATOM 682 CD2 PHE A 44 -6.297 -12.743 6.212 1.00 70.30 C ATOM 683 CE1 PHE A 44 -6.467 -15.409 6.886 1.00 61.34 C ATOM 684 CE2 PHE A 44 -6.960 -13.621 5.381 1.00 63.21 C ATOM 685 CZ PHE A 44 -7.045 -14.954 5.720 1.00 74.15 C ATOM 0 H PHE A 44 -3.967 -11.293 10.335 1.00 52.41 H new ATOM 0 HA PHE A 44 -3.706 -13.767 9.014 1.00 52.41 H new ATOM 0 HB2 PHE A 44 -5.653 -12.027 9.151 1.00 2.21 H new ATOM 0 HB3 PHE A 44 -4.878 -11.280 7.768 1.00 2.21 H new ATOM 0 HD1 PHE A 44 -5.350 -14.888 8.623 1.00 20.02 H new ATOM 0 HD2 PHE A 44 -6.235 -11.698 5.946 1.00 70.30 H new ATOM 0 HE1 PHE A 44 -6.535 -16.454 7.152 1.00 61.34 H new ATOM 0 HE2 PHE A 44 -7.412 -13.265 4.467 1.00 63.21 H new ATOM 0 HZ PHE A 44 -7.565 -15.643 5.071 1.00 74.15 H new ATOM 695 N SER A 45 -1.851 -11.394 7.881 1.00 31.04 N ATOM 696 CA SER A 45 -0.850 -11.028 6.909 1.00 22.01 C ATOM 697 C SER A 45 0.554 -11.502 7.292 1.00 11.40 C ATOM 698 O SER A 45 1.468 -11.446 6.468 1.00 30.11 O ATOM 699 CB SER A 45 -0.862 -9.516 6.731 1.00 1.25 C ATOM 700 OG SER A 45 -2.185 -9.055 6.493 1.00 25.52 O ATOM 0 H SER A 45 -1.927 -10.754 8.672 1.00 31.04 H new ATOM 0 HA SER A 45 -1.100 -11.527 5.972 1.00 22.01 H new ATOM 0 HB2 SER A 45 -0.458 -9.035 7.622 1.00 1.25 H new ATOM 0 HB3 SER A 45 -0.217 -9.237 5.898 1.00 1.25 H new ATOM 0 HG SER A 45 -2.695 -9.078 7.330 1.00 25.52 H new ATOM 706 N LYS A 46 0.727 -12.002 8.517 1.00 73.34 N ATOM 707 CA LYS A 46 2.064 -12.395 8.974 1.00 43.54 C ATOM 708 C LYS A 46 2.595 -13.610 8.213 1.00 75.35 C ATOM 709 O LYS A 46 3.810 -13.805 8.109 1.00 31.11 O ATOM 710 CB LYS A 46 2.111 -12.604 10.511 1.00 1.42 C ATOM 711 CG LYS A 46 1.389 -13.840 11.050 1.00 1.44 C ATOM 712 CD LYS A 46 2.267 -15.083 10.999 1.00 41.13 C ATOM 713 CE LYS A 46 1.625 -16.253 11.727 1.00 21.14 C ATOM 714 NZ LYS A 46 1.444 -15.976 13.175 1.00 41.13 N ATOM 0 H LYS A 46 -0.020 -12.143 9.197 1.00 73.34 H new ATOM 0 HA LYS A 46 2.734 -11.566 8.747 1.00 43.54 H new ATOM 0 HB2 LYS A 46 3.156 -12.658 10.817 1.00 1.42 H new ATOM 0 HB3 LYS A 46 1.684 -11.723 10.989 1.00 1.42 H new ATOM 0 HG2 LYS A 46 1.078 -13.658 12.079 1.00 1.44 H new ATOM 0 HG3 LYS A 46 0.483 -14.012 10.469 1.00 1.44 H new ATOM 0 HD2 LYS A 46 2.451 -15.357 9.960 1.00 41.13 H new ATOM 0 HD3 LYS A 46 3.236 -14.863 11.447 1.00 41.13 H new ATOM 0 HE2 LYS A 46 0.657 -16.473 11.276 1.00 21.14 H new ATOM 0 HE3 LYS A 46 2.244 -17.141 11.602 1.00 21.14 H new ATOM 0 HZ1 LYS A 46 1.297 -16.871 13.684 1.00 41.13 H new ATOM 0 HZ2 LYS A 46 2.292 -15.501 13.546 1.00 41.13 H new ATOM 0 HZ3 LYS A 46 0.616 -15.361 13.310 1.00 41.13 H new ATOM 728 N LYS A 47 1.688 -14.420 7.676 1.00 61.13 N ATOM 729 CA LYS A 47 2.084 -15.583 6.893 1.00 14.23 C ATOM 730 C LYS A 47 2.580 -15.143 5.526 1.00 42.33 C ATOM 731 O LYS A 47 3.359 -15.827 4.881 1.00 71.22 O ATOM 732 CB LYS A 47 0.923 -16.562 6.752 1.00 12.24 C ATOM 733 CG LYS A 47 0.383 -17.057 8.085 1.00 2.12 C ATOM 734 CD LYS A 47 -0.609 -18.193 7.904 1.00 32.51 C ATOM 735 CE LYS A 47 0.064 -19.434 7.329 1.00 20.03 C ATOM 736 NZ LYS A 47 1.161 -19.933 8.197 1.00 1.20 N ATOM 0 H LYS A 47 0.680 -14.293 7.768 1.00 61.13 H new ATOM 0 HA LYS A 47 2.894 -16.094 7.414 1.00 14.23 H new ATOM 0 HB2 LYS A 47 0.117 -16.080 6.198 1.00 12.24 H new ATOM 0 HB3 LYS A 47 1.249 -17.418 6.161 1.00 12.24 H new ATOM 0 HG2 LYS A 47 1.210 -17.393 8.710 1.00 2.12 H new ATOM 0 HG3 LYS A 47 -0.100 -16.233 8.610 1.00 2.12 H new ATOM 0 HD2 LYS A 47 -1.065 -18.436 8.864 1.00 32.51 H new ATOM 0 HD3 LYS A 47 -1.413 -17.873 7.241 1.00 32.51 H new ATOM 0 HE2 LYS A 47 -0.679 -20.220 7.198 1.00 20.03 H new ATOM 0 HE3 LYS A 47 0.462 -19.204 6.341 1.00 20.03 H new ATOM 0 HZ1 LYS A 47 1.417 -20.900 7.911 1.00 1.20 H new ATOM 0 HZ2 LYS A 47 1.990 -19.312 8.101 1.00 1.20 H new ATOM 0 HZ3 LYS A 47 0.845 -19.937 9.188 1.00 1.20 H new ATOM 750 N CYS A 48 2.108 -14.007 5.101 1.00 53.11 N ATOM 751 CA CYS A 48 2.579 -13.441 3.861 1.00 64.30 C ATOM 752 C CYS A 48 3.898 -12.717 4.083 1.00 52.43 C ATOM 753 O CYS A 48 4.795 -12.808 3.261 1.00 53.23 O ATOM 754 CB CYS A 48 1.521 -12.540 3.218 1.00 40.21 C ATOM 755 SG CYS A 48 0.049 -13.464 2.642 1.00 11.13 S ATOM 0 H CYS A 48 1.402 -13.454 5.587 1.00 53.11 H new ATOM 0 HA CYS A 48 2.760 -14.251 3.155 1.00 64.30 H new ATOM 0 HB2 CYS A 48 1.209 -11.784 3.938 1.00 40.21 H new ATOM 0 HB3 CYS A 48 1.965 -12.012 2.374 1.00 40.21 H new ATOM 760 N SER A 49 3.996 -11.990 5.196 1.00 63.02 N ATOM 761 CA SER A 49 5.239 -11.319 5.591 1.00 72.43 C ATOM 762 C SER A 49 6.469 -12.242 5.430 1.00 20.14 C ATOM 763 O SER A 49 7.413 -11.912 4.704 1.00 3.32 O ATOM 764 CB SER A 49 5.130 -10.851 7.044 1.00 51.34 C ATOM 765 OG SER A 49 3.960 -10.075 7.240 1.00 22.51 O ATOM 0 H SER A 49 3.223 -11.849 5.847 1.00 63.02 H new ATOM 0 HA SER A 49 5.380 -10.462 4.932 1.00 72.43 H new ATOM 0 HB2 SER A 49 5.113 -11.715 7.708 1.00 51.34 H new ATOM 0 HB3 SER A 49 6.009 -10.263 7.308 1.00 51.34 H new ATOM 0 HG SER A 49 4.070 -9.203 6.807 1.00 22.51 H new ATOM 771 N GLU A 50 6.445 -13.394 6.097 1.00 71.55 N ATOM 772 CA GLU A 50 7.566 -14.337 6.034 1.00 64.51 C ATOM 773 C GLU A 50 7.681 -15.011 4.656 1.00 65.45 C ATOM 774 O GLU A 50 8.777 -15.372 4.216 1.00 5.32 O ATOM 775 CB GLU A 50 7.479 -15.370 7.174 1.00 12.25 C ATOM 776 CG GLU A 50 6.229 -16.247 7.173 1.00 52.14 C ATOM 777 CD GLU A 50 6.355 -17.455 6.269 1.00 74.24 C ATOM 778 OE1 GLU A 50 7.422 -18.099 6.278 1.00 70.44 O ATOM 779 OE2 GLU A 50 5.392 -17.766 5.551 1.00 21.10 O ATOM 0 H GLU A 50 5.668 -13.698 6.684 1.00 71.55 H new ATOM 0 HA GLU A 50 8.483 -13.765 6.173 1.00 64.51 H new ATOM 0 HB2 GLU A 50 8.355 -16.016 7.123 1.00 12.25 H new ATOM 0 HB3 GLU A 50 7.529 -14.840 8.125 1.00 12.25 H new ATOM 0 HG2 GLU A 50 6.025 -16.581 8.190 1.00 52.14 H new ATOM 0 HG3 GLU A 50 5.374 -15.650 6.856 1.00 52.14 H new ATOM 786 N ARG A 51 6.554 -15.159 3.973 1.00 24.35 N ATOM 787 CA ARG A 51 6.531 -15.762 2.643 1.00 60.21 C ATOM 788 C ARG A 51 7.164 -14.809 1.630 1.00 54.04 C ATOM 789 O ARG A 51 7.845 -15.227 0.707 1.00 54.04 O ATOM 790 CB ARG A 51 5.093 -16.093 2.254 1.00 73.24 C ATOM 791 CG ARG A 51 4.927 -16.706 0.877 1.00 12.23 C ATOM 792 CD ARG A 51 3.483 -17.109 0.651 1.00 71.51 C ATOM 793 NE ARG A 51 3.222 -17.512 -0.727 1.00 22.10 N ATOM 794 CZ ARG A 51 2.006 -17.562 -1.270 1.00 2.12 C ATOM 795 NH1 ARG A 51 0.936 -17.233 -0.546 1.00 1.13 N ATOM 796 NH2 ARG A 51 1.856 -17.939 -2.532 1.00 0.23 N ATOM 0 H ARG A 51 5.639 -14.869 4.318 1.00 24.35 H new ATOM 0 HA ARG A 51 7.109 -16.686 2.651 1.00 60.21 H new ATOM 0 HB2 ARG A 51 4.681 -16.780 2.993 1.00 73.24 H new ATOM 0 HB3 ARG A 51 4.500 -15.180 2.303 1.00 73.24 H new ATOM 0 HG2 ARG A 51 5.236 -15.992 0.114 1.00 12.23 H new ATOM 0 HG3 ARG A 51 5.574 -17.577 0.779 1.00 12.23 H new ATOM 0 HD2 ARG A 51 3.230 -17.931 1.320 1.00 71.51 H new ATOM 0 HD3 ARG A 51 2.832 -16.275 0.911 1.00 71.51 H new ATOM 0 HE ARG A 51 4.018 -17.771 -1.310 1.00 22.10 H new ATOM 0 HH11 ARG A 51 1.047 -16.942 0.425 1.00 1.13 H new ATOM 0 HH12 ARG A 51 0.006 -17.272 -0.963 1.00 1.13 H new ATOM 0 HH21 ARG A 51 2.672 -18.191 -3.089 1.00 0.23 H new ATOM 0 HH22 ARG A 51 0.924 -17.977 -2.946 1.00 0.23 H new ATOM 810 N TRP A 52 6.961 -13.563 1.854 1.00 14.34 N ATOM 811 CA TRP A 52 7.535 -12.538 0.987 1.00 53.14 C ATOM 812 C TRP A 52 9.059 -12.583 1.051 1.00 2.04 C ATOM 813 O TRP A 52 9.743 -12.429 0.038 1.00 24.43 O ATOM 814 CB TRP A 52 7.027 -11.142 1.354 1.00 0.32 C ATOM 815 CG TRP A 52 7.574 -10.066 0.460 1.00 4.41 C ATOM 816 CD1 TRP A 52 8.545 -9.155 0.766 1.00 30.20 C ATOM 817 CD2 TRP A 52 7.194 -9.803 -0.896 1.00 23.14 C ATOM 818 NE1 TRP A 52 8.786 -8.342 -0.313 1.00 61.45 N ATOM 819 CE2 TRP A 52 7.970 -8.720 -1.346 1.00 25.42 C ATOM 820 CE3 TRP A 52 6.272 -10.378 -1.772 1.00 62.43 C ATOM 821 CZ2 TRP A 52 7.851 -8.202 -2.631 1.00 72.22 C ATOM 822 CZ3 TRP A 52 6.156 -9.863 -3.049 1.00 63.02 C ATOM 823 CH2 TRP A 52 6.941 -8.787 -3.466 1.00 62.42 C ATOM 0 H TRP A 52 6.403 -13.203 2.628 1.00 14.34 H new ATOM 0 HA TRP A 52 7.216 -12.749 -0.034 1.00 53.14 H new ATOM 0 HB2 TRP A 52 5.938 -11.132 1.302 1.00 0.32 H new ATOM 0 HB3 TRP A 52 7.299 -10.922 2.386 1.00 0.32 H new ATOM 0 HD1 TRP A 52 9.049 -9.085 1.718 1.00 30.20 H new ATOM 0 HE1 TRP A 52 9.463 -7.580 -0.341 1.00 61.45 H new ATOM 0 HE3 TRP A 52 5.660 -11.211 -1.457 1.00 62.43 H new ATOM 0 HZ2 TRP A 52 8.455 -7.368 -2.957 1.00 72.22 H new ATOM 0 HZ3 TRP A 52 5.446 -10.300 -3.736 1.00 63.02 H new ATOM 0 HH2 TRP A 52 6.827 -8.408 -4.471 1.00 62.42 H new ATOM 834 N LYS A 53 9.581 -12.829 2.239 1.00 62.05 N ATOM 835 CA LYS A 53 11.020 -12.911 2.442 1.00 64.42 C ATOM 836 C LYS A 53 11.588 -14.205 1.863 1.00 61.11 C ATOM 837 O LYS A 53 12.800 -14.339 1.690 1.00 60.15 O ATOM 838 CB LYS A 53 11.357 -12.807 3.928 1.00 20.13 C ATOM 839 CG LYS A 53 10.999 -11.465 4.543 1.00 52.43 C ATOM 840 CD LYS A 53 11.297 -11.439 6.031 1.00 31.45 C ATOM 841 CE LYS A 53 11.033 -10.065 6.627 1.00 74.31 C ATOM 842 NZ LYS A 53 11.934 -9.029 6.059 1.00 64.32 N ATOM 0 H LYS A 53 9.028 -12.977 3.083 1.00 62.05 H new ATOM 0 HA LYS A 53 11.479 -12.074 1.916 1.00 64.42 H new ATOM 0 HB2 LYS A 53 10.831 -13.595 4.467 1.00 20.13 H new ATOM 0 HB3 LYS A 53 12.424 -12.985 4.063 1.00 20.13 H new ATOM 0 HG2 LYS A 53 11.559 -10.674 4.045 1.00 52.43 H new ATOM 0 HG3 LYS A 53 9.941 -11.259 4.379 1.00 52.43 H new ATOM 0 HD2 LYS A 53 10.682 -12.182 6.540 1.00 31.45 H new ATOM 0 HD3 LYS A 53 12.337 -11.717 6.200 1.00 31.45 H new ATOM 0 HE2 LYS A 53 9.996 -9.784 6.444 1.00 74.31 H new ATOM 0 HE3 LYS A 53 11.165 -10.107 7.708 1.00 74.31 H new ATOM 0 HZ1 LYS A 53 11.904 -8.178 6.656 1.00 64.32 H new ATOM 0 HZ2 LYS A 53 12.907 -9.395 6.026 1.00 64.32 H new ATOM 0 HZ3 LYS A 53 11.622 -8.788 5.097 1.00 64.32 H new ATOM 856 N THR A 54 10.714 -15.148 1.553 1.00 53.21 N ATOM 857 CA THR A 54 11.139 -16.422 1.008 1.00 61.44 C ATOM 858 C THR A 54 10.739 -16.581 -0.464 1.00 14.55 C ATOM 859 O THR A 54 11.002 -17.614 -1.080 1.00 2.43 O ATOM 860 CB THR A 54 10.594 -17.603 1.844 1.00 31.15 C ATOM 861 OG1 THR A 54 9.235 -17.349 2.238 1.00 42.54 O ATOM 862 CG2 THR A 54 11.446 -17.821 3.083 1.00 43.02 C ATOM 0 H THR A 54 9.705 -15.053 1.670 1.00 53.21 H new ATOM 0 HA THR A 54 12.228 -16.436 1.060 1.00 61.44 H new ATOM 0 HB THR A 54 10.630 -18.500 1.226 1.00 31.15 H new ATOM 0 HG1 THR A 54 9.220 -16.661 2.936 1.00 42.54 H new ATOM 0 HG21 THR A 54 11.046 -18.656 3.657 1.00 43.02 H new ATOM 0 HG22 THR A 54 12.471 -18.043 2.785 1.00 43.02 H new ATOM 0 HG23 THR A 54 11.434 -16.920 3.696 1.00 43.02 H new ATOM 870 N MET A 55 10.112 -15.550 -1.025 1.00 34.54 N ATOM 871 CA MET A 55 9.707 -15.573 -2.430 1.00 73.45 C ATOM 872 C MET A 55 10.884 -15.267 -3.331 1.00 21.41 C ATOM 873 O MET A 55 11.747 -14.456 -2.984 1.00 33.14 O ATOM 874 CB MET A 55 8.582 -14.574 -2.697 1.00 11.41 C ATOM 875 CG MET A 55 7.215 -15.037 -2.232 1.00 62.43 C ATOM 876 SD MET A 55 5.944 -13.781 -2.457 1.00 2.02 S ATOM 877 CE MET A 55 6.051 -13.493 -4.222 1.00 4.03 C ATOM 0 H MET A 55 9.873 -14.690 -0.531 1.00 34.54 H new ATOM 0 HA MET A 55 9.341 -16.576 -2.649 1.00 73.45 H new ATOM 0 HB2 MET A 55 8.822 -13.633 -2.202 1.00 11.41 H new ATOM 0 HB3 MET A 55 8.539 -14.370 -3.767 1.00 11.41 H new ATOM 0 HG2 MET A 55 6.934 -15.936 -2.781 1.00 62.43 H new ATOM 0 HG3 MET A 55 7.267 -15.311 -1.178 1.00 62.43 H new ATOM 0 HE1 MET A 55 5.057 -13.285 -4.618 1.00 4.03 H new ATOM 0 HE2 MET A 55 6.703 -12.641 -4.413 1.00 4.03 H new ATOM 0 HE3 MET A 55 6.458 -14.378 -4.711 1.00 4.03 H new ATOM 887 N SER A 56 10.926 -15.914 -4.476 1.00 33.40 N ATOM 888 CA SER A 56 12.012 -15.721 -5.409 1.00 40.23 C ATOM 889 C SER A 56 11.847 -14.384 -6.141 1.00 4.12 C ATOM 890 O SER A 56 10.727 -13.869 -6.278 1.00 70.31 O ATOM 891 CB SER A 56 12.039 -16.870 -6.419 1.00 5.11 C ATOM 892 OG SER A 56 10.797 -16.972 -7.097 1.00 10.32 O ATOM 0 H SER A 56 10.217 -16.580 -4.783 1.00 33.40 H new ATOM 0 HA SER A 56 12.953 -15.707 -4.859 1.00 40.23 H new ATOM 0 HB2 SER A 56 12.840 -16.708 -7.140 1.00 5.11 H new ATOM 0 HB3 SER A 56 12.257 -17.807 -5.906 1.00 5.11 H new ATOM 0 HG SER A 56 10.835 -17.711 -7.739 1.00 10.32 H new ATOM 898 N ALA A 57 12.958 -13.828 -6.592 1.00 55.42 N ATOM 899 CA ALA A 57 12.935 -12.568 -7.331 1.00 45.21 C ATOM 900 C ALA A 57 12.075 -12.671 -8.590 1.00 51.02 C ATOM 901 O ALA A 57 11.472 -11.686 -9.020 1.00 50.13 O ATOM 902 CB ALA A 57 14.348 -12.138 -7.689 1.00 73.00 C ATOM 0 H ALA A 57 13.889 -14.225 -6.462 1.00 55.42 H new ATOM 0 HA ALA A 57 12.488 -11.813 -6.685 1.00 45.21 H new ATOM 0 HB1 ALA A 57 14.314 -11.198 -8.239 1.00 73.00 H new ATOM 0 HB2 ALA A 57 14.930 -12.004 -6.777 1.00 73.00 H new ATOM 0 HB3 ALA A 57 14.816 -12.904 -8.308 1.00 73.00 H new ATOM 908 N LYS A 58 12.004 -13.872 -9.160 1.00 72.40 N ATOM 909 CA LYS A 58 11.235 -14.112 -10.375 1.00 2.23 C ATOM 910 C LYS A 58 9.733 -13.937 -10.125 1.00 15.23 C ATOM 911 O LYS A 58 9.033 -13.297 -10.912 1.00 22.11 O ATOM 912 CB LYS A 58 11.519 -15.526 -10.905 1.00 50.35 C ATOM 913 CG LYS A 58 10.849 -15.852 -12.236 1.00 74.25 C ATOM 914 CD LYS A 58 11.378 -14.971 -13.360 1.00 73.32 C ATOM 915 CE LYS A 58 10.770 -15.350 -14.704 1.00 43.22 C ATOM 916 NZ LYS A 58 11.106 -16.742 -15.101 1.00 73.13 N ATOM 0 H LYS A 58 12.475 -14.700 -8.794 1.00 72.40 H new ATOM 0 HA LYS A 58 11.541 -13.378 -11.121 1.00 2.23 H new ATOM 0 HB2 LYS A 58 12.596 -15.649 -11.016 1.00 50.35 H new ATOM 0 HB3 LYS A 58 11.191 -16.251 -10.161 1.00 50.35 H new ATOM 0 HG2 LYS A 58 11.020 -16.900 -12.483 1.00 74.25 H new ATOM 0 HG3 LYS A 58 9.771 -15.718 -12.144 1.00 74.25 H new ATOM 0 HD2 LYS A 58 11.154 -13.927 -13.140 1.00 73.32 H new ATOM 0 HD3 LYS A 58 12.463 -15.060 -13.413 1.00 73.32 H new ATOM 0 HE2 LYS A 58 9.687 -15.240 -14.655 1.00 43.22 H new ATOM 0 HE3 LYS A 58 11.126 -14.660 -15.469 1.00 43.22 H new ATOM 0 HZ1 LYS A 58 10.897 -16.875 -16.111 1.00 73.13 H new ATOM 0 HZ2 LYS A 58 12.117 -16.917 -14.931 1.00 73.13 H new ATOM 0 HZ3 LYS A 58 10.540 -17.409 -14.539 1.00 73.13 H new ATOM 930 N GLU A 59 9.248 -14.494 -9.023 1.00 22.23 N ATOM 931 CA GLU A 59 7.829 -14.415 -8.691 1.00 23.22 C ATOM 932 C GLU A 59 7.435 -13.021 -8.224 1.00 34.04 C ATOM 933 O GLU A 59 6.271 -12.627 -8.326 1.00 31.33 O ATOM 934 CB GLU A 59 7.455 -15.462 -7.643 1.00 52.04 C ATOM 935 CG GLU A 59 7.464 -16.885 -8.177 1.00 14.21 C ATOM 936 CD GLU A 59 6.438 -17.101 -9.276 1.00 30.23 C ATOM 937 OE1 GLU A 59 6.677 -16.659 -10.422 1.00 51.41 O ATOM 938 OE2 GLU A 59 5.384 -17.709 -9.002 1.00 43.51 O ATOM 0 H GLU A 59 9.813 -15.004 -8.345 1.00 22.23 H new ATOM 0 HA GLU A 59 7.270 -14.625 -9.603 1.00 23.22 H new ATOM 0 HB2 GLU A 59 8.151 -15.392 -6.807 1.00 52.04 H new ATOM 0 HB3 GLU A 59 6.463 -15.235 -7.252 1.00 52.04 H new ATOM 0 HG2 GLU A 59 8.457 -17.119 -8.560 1.00 14.21 H new ATOM 0 HG3 GLU A 59 7.267 -17.578 -7.359 1.00 14.21 H new ATOM 945 N LYS A 60 8.399 -12.276 -7.713 1.00 3.44 N ATOM 946 CA LYS A 60 8.152 -10.911 -7.269 1.00 25.21 C ATOM 947 C LYS A 60 8.028 -9.957 -8.457 1.00 30.31 C ATOM 948 O LYS A 60 7.542 -8.835 -8.309 1.00 54.35 O ATOM 949 CB LYS A 60 9.267 -10.437 -6.339 1.00 11.01 C ATOM 950 CG LYS A 60 9.348 -11.201 -5.030 1.00 23.52 C ATOM 951 CD LYS A 60 10.461 -10.666 -4.149 1.00 41.22 C ATOM 952 CE LYS A 60 10.499 -11.381 -2.812 1.00 72.45 C ATOM 953 NZ LYS A 60 11.573 -10.862 -1.937 1.00 30.14 N ATOM 0 H LYS A 60 9.362 -12.591 -7.594 1.00 3.44 H new ATOM 0 HA LYS A 60 7.208 -10.908 -6.724 1.00 25.21 H new ATOM 0 HB2 LYS A 60 10.221 -10.525 -6.859 1.00 11.01 H new ATOM 0 HB3 LYS A 60 9.119 -9.379 -6.122 1.00 11.01 H new ATOM 0 HG2 LYS A 60 8.397 -11.127 -4.503 1.00 23.52 H new ATOM 0 HG3 LYS A 60 9.518 -12.258 -5.233 1.00 23.52 H new ATOM 0 HD2 LYS A 60 11.418 -10.787 -4.656 1.00 41.22 H new ATOM 0 HD3 LYS A 60 10.318 -9.597 -3.988 1.00 41.22 H new ATOM 0 HE2 LYS A 60 9.537 -11.267 -2.312 1.00 72.45 H new ATOM 0 HE3 LYS A 60 10.648 -12.448 -2.976 1.00 72.45 H new ATOM 0 HZ1 LYS A 60 11.403 -11.171 -0.958 1.00 30.14 H new ATOM 0 HZ2 LYS A 60 12.491 -11.227 -2.261 1.00 30.14 H new ATOM 0 HZ3 LYS A 60 11.581 -9.823 -1.976 1.00 30.14 H new ATOM 967 N GLY A 61 8.450 -10.427 -9.634 1.00 71.13 N ATOM 968 CA GLY A 61 8.423 -9.608 -10.844 1.00 62.50 C ATOM 969 C GLY A 61 7.061 -8.999 -11.129 1.00 31.40 C ATOM 970 O GLY A 61 6.973 -7.856 -11.572 1.00 72.23 O ATOM 0 H GLY A 61 8.814 -11.370 -9.772 1.00 71.13 H new ATOM 0 HA2 GLY A 61 9.158 -8.808 -10.749 1.00 62.50 H new ATOM 0 HA3 GLY A 61 8.725 -10.219 -11.695 1.00 62.50 H new ATOM 974 N LYS A 62 6.006 -9.766 -10.871 1.00 51.01 N ATOM 975 CA LYS A 62 4.629 -9.314 -11.078 1.00 20.14 C ATOM 976 C LYS A 62 4.322 -8.074 -10.230 1.00 1.24 C ATOM 977 O LYS A 62 3.779 -7.079 -10.722 1.00 14.50 O ATOM 978 CB LYS A 62 3.659 -10.439 -10.705 1.00 32.12 C ATOM 979 CG LYS A 62 2.192 -10.108 -10.928 1.00 12.45 C ATOM 980 CD LYS A 62 1.295 -11.186 -10.346 1.00 60.15 C ATOM 981 CE LYS A 62 -0.166 -10.966 -10.711 1.00 14.01 C ATOM 982 NZ LYS A 62 -0.413 -11.162 -12.163 1.00 24.24 N ATOM 0 H LYS A 62 6.079 -10.718 -10.513 1.00 51.01 H new ATOM 0 HA LYS A 62 4.509 -9.051 -12.129 1.00 20.14 H new ATOM 0 HB2 LYS A 62 3.911 -11.326 -11.287 1.00 32.12 H new ATOM 0 HB3 LYS A 62 3.805 -10.694 -9.655 1.00 32.12 H new ATOM 0 HG2 LYS A 62 1.958 -9.148 -10.468 1.00 12.45 H new ATOM 0 HG3 LYS A 62 1.997 -10.005 -11.996 1.00 12.45 H new ATOM 0 HD2 LYS A 62 1.617 -12.162 -10.710 1.00 60.15 H new ATOM 0 HD3 LYS A 62 1.400 -11.199 -9.261 1.00 60.15 H new ATOM 0 HE2 LYS A 62 -0.790 -11.655 -10.141 1.00 14.01 H new ATOM 0 HE3 LYS A 62 -0.463 -9.957 -10.426 1.00 14.01 H new ATOM 0 HZ1 LYS A 62 -1.436 -11.239 -12.334 1.00 24.24 H new ATOM 0 HZ2 LYS A 62 -0.033 -10.351 -12.692 1.00 24.24 H new ATOM 0 HZ3 LYS A 62 0.057 -12.034 -12.481 1.00 24.24 H new ATOM 996 N PHE A 63 4.684 -8.137 -8.964 1.00 75.35 N ATOM 997 CA PHE A 63 4.424 -7.048 -8.034 1.00 33.02 C ATOM 998 C PHE A 63 5.336 -5.871 -8.333 1.00 22.13 C ATOM 999 O PHE A 63 4.926 -4.712 -8.254 1.00 54.23 O ATOM 1000 CB PHE A 63 4.593 -7.537 -6.597 1.00 1.20 C ATOM 1001 CG PHE A 63 3.751 -8.749 -6.301 1.00 51.12 C ATOM 1002 CD1 PHE A 63 2.396 -8.624 -6.049 1.00 30.34 C ATOM 1003 CD2 PHE A 63 4.313 -10.016 -6.297 1.00 60.11 C ATOM 1004 CE1 PHE A 63 1.617 -9.735 -5.796 1.00 30.45 C ATOM 1005 CE2 PHE A 63 3.539 -11.132 -6.049 1.00 22.11 C ATOM 1006 CZ PHE A 63 2.189 -10.992 -5.797 1.00 30.30 C ATOM 0 H PHE A 63 5.163 -8.937 -8.550 1.00 75.35 H new ATOM 0 HA PHE A 63 3.395 -6.709 -8.155 1.00 33.02 H new ATOM 0 HB2 PHE A 63 5.642 -7.774 -6.418 1.00 1.20 H new ATOM 0 HB3 PHE A 63 4.325 -6.735 -5.909 1.00 1.20 H new ATOM 0 HD1 PHE A 63 1.942 -7.644 -6.050 1.00 30.34 H new ATOM 0 HD2 PHE A 63 5.369 -10.132 -6.490 1.00 60.11 H new ATOM 0 HE1 PHE A 63 0.561 -9.621 -5.598 1.00 30.45 H new ATOM 0 HE2 PHE A 63 3.989 -12.114 -6.052 1.00 22.11 H new ATOM 0 HZ PHE A 63 1.582 -11.863 -5.601 1.00 30.30 H new ATOM 1016 N GLU A 64 6.562 -6.186 -8.722 1.00 71.25 N ATOM 1017 CA GLU A 64 7.544 -5.183 -9.120 1.00 11.30 C ATOM 1018 C GLU A 64 7.131 -4.516 -10.429 1.00 14.03 C ATOM 1019 O GLU A 64 7.700 -3.501 -10.828 1.00 61.24 O ATOM 1020 CB GLU A 64 8.923 -5.821 -9.295 1.00 15.42 C ATOM 1021 CG GLU A 64 9.559 -6.306 -8.007 1.00 72.22 C ATOM 1022 CD GLU A 64 9.839 -5.183 -7.035 1.00 12.01 C ATOM 1023 OE1 GLU A 64 10.227 -4.081 -7.483 1.00 42.41 O ATOM 1024 OE2 GLU A 64 9.687 -5.397 -5.816 1.00 41.54 O ATOM 0 H GLU A 64 6.907 -7.145 -8.771 1.00 71.25 H new ATOM 0 HA GLU A 64 7.591 -4.431 -8.332 1.00 11.30 H new ATOM 0 HB2 GLU A 64 8.835 -6.663 -9.982 1.00 15.42 H new ATOM 0 HB3 GLU A 64 9.588 -5.096 -9.763 1.00 15.42 H new ATOM 0 HG2 GLU A 64 8.901 -7.035 -7.534 1.00 72.22 H new ATOM 0 HG3 GLU A 64 10.491 -6.821 -8.239 1.00 72.22 H new ATOM 1031 N ASP A 65 6.126 -5.083 -11.080 1.00 21.52 N ATOM 1032 CA ASP A 65 5.699 -4.610 -12.383 1.00 3.22 C ATOM 1033 C ASP A 65 4.486 -3.709 -12.243 1.00 25.54 C ATOM 1034 O ASP A 65 4.397 -2.659 -12.873 1.00 23.31 O ATOM 1035 CB ASP A 65 5.389 -5.774 -13.317 1.00 41.03 C ATOM 1036 CG ASP A 65 5.093 -5.311 -14.720 1.00 13.51 C ATOM 1037 OD1 ASP A 65 5.982 -4.689 -15.340 1.00 53.12 O ATOM 1038 OD2 ASP A 65 3.973 -5.555 -15.209 1.00 31.53 O ATOM 0 H ASP A 65 5.591 -5.874 -10.723 1.00 21.52 H new ATOM 0 HA ASP A 65 6.517 -4.037 -12.819 1.00 3.22 H new ATOM 0 HB2 ASP A 65 6.235 -6.461 -13.333 1.00 41.03 H new ATOM 0 HB3 ASP A 65 4.535 -6.330 -12.931 1.00 41.03 H new ATOM 1043 N MET A 66 3.552 -4.126 -11.399 1.00 73.21 N ATOM 1044 CA MET A 66 2.338 -3.353 -11.151 1.00 41.34 C ATOM 1045 C MET A 66 2.674 -2.015 -10.506 1.00 30.44 C ATOM 1046 O MET A 66 1.995 -1.013 -10.738 1.00 15.10 O ATOM 1047 CB MET A 66 1.367 -4.140 -10.267 1.00 62.00 C ATOM 1048 CG MET A 66 0.880 -5.436 -10.895 1.00 32.22 C ATOM 1049 SD MET A 66 -0.332 -6.303 -9.875 1.00 73.30 S ATOM 1050 CE MET A 66 0.620 -6.615 -8.392 1.00 5.31 C ATOM 0 H MET A 66 3.610 -4.997 -10.872 1.00 73.21 H new ATOM 0 HA MET A 66 1.856 -3.163 -12.110 1.00 41.34 H new ATOM 0 HB2 MET A 66 1.855 -4.367 -9.319 1.00 62.00 H new ATOM 0 HB3 MET A 66 0.506 -3.511 -10.039 1.00 62.00 H new ATOM 0 HG2 MET A 66 0.439 -5.219 -11.868 1.00 32.22 H new ATOM 0 HG3 MET A 66 1.733 -6.091 -11.071 1.00 32.22 H new ATOM 0 HE1 MET A 66 -0.018 -7.082 -7.642 1.00 5.31 H new ATOM 0 HE2 MET A 66 1.451 -7.280 -8.626 1.00 5.31 H new ATOM 0 HE3 MET A 66 1.007 -5.673 -8.003 1.00 5.31 H new ATOM 1060 N ALA A 67 3.742 -2.004 -9.712 1.00 31.21 N ATOM 1061 CA ALA A 67 4.199 -0.793 -9.038 1.00 30.54 C ATOM 1062 C ALA A 67 4.641 0.274 -10.041 1.00 35.41 C ATOM 1063 O ALA A 67 4.593 1.469 -9.751 1.00 71.41 O ATOM 1064 CB ALA A 67 5.338 -1.125 -8.087 1.00 4.44 C ATOM 0 H ALA A 67 4.311 -2.828 -9.519 1.00 31.21 H new ATOM 0 HA ALA A 67 3.362 -0.388 -8.470 1.00 30.54 H new ATOM 0 HB1 ALA A 67 5.673 -0.215 -7.588 1.00 4.44 H new ATOM 0 HB2 ALA A 67 4.993 -1.841 -7.342 1.00 4.44 H new ATOM 0 HB3 ALA A 67 6.167 -1.557 -8.648 1.00 4.44 H new ATOM 1070 N LYS A 68 5.053 -0.167 -11.229 1.00 25.42 N ATOM 1071 CA LYS A 68 5.505 0.744 -12.280 1.00 71.22 C ATOM 1072 C LYS A 68 4.357 1.611 -12.772 1.00 55.31 C ATOM 1073 O LYS A 68 4.552 2.754 -13.159 1.00 54.10 O ATOM 1074 CB LYS A 68 6.079 -0.042 -13.458 1.00 1.24 C ATOM 1075 CG LYS A 68 7.239 -0.951 -13.103 1.00 32.04 C ATOM 1076 CD LYS A 68 7.553 -1.891 -14.252 1.00 2.13 C ATOM 1077 CE LYS A 68 8.625 -2.893 -13.879 1.00 30.14 C ATOM 1078 NZ LYS A 68 8.726 -3.979 -14.881 1.00 54.11 N ATOM 0 H LYS A 68 5.083 -1.153 -11.488 1.00 25.42 H new ATOM 0 HA LYS A 68 6.280 1.383 -11.857 1.00 71.22 H new ATOM 0 HB2 LYS A 68 5.284 -0.644 -13.898 1.00 1.24 H new ATOM 0 HB3 LYS A 68 6.407 0.662 -14.223 1.00 1.24 H new ATOM 0 HG2 LYS A 68 8.118 -0.352 -12.866 1.00 32.04 H new ATOM 0 HG3 LYS A 68 6.996 -1.528 -12.210 1.00 32.04 H new ATOM 0 HD2 LYS A 68 6.647 -2.420 -14.547 1.00 2.13 H new ATOM 0 HD3 LYS A 68 7.880 -1.313 -15.116 1.00 2.13 H new ATOM 0 HE2 LYS A 68 9.586 -2.385 -13.794 1.00 30.14 H new ATOM 0 HE3 LYS A 68 8.402 -3.319 -12.901 1.00 30.14 H new ATOM 0 HZ1 LYS A 68 9.288 -4.762 -14.489 1.00 54.11 H new ATOM 0 HZ2 LYS A 68 7.773 -4.322 -15.119 1.00 54.11 H new ATOM 0 HZ3 LYS A 68 9.188 -3.617 -15.740 1.00 54.11 H new ATOM 1092 N ALA A 69 3.165 1.050 -12.778 1.00 41.30 N ATOM 1093 CA ALA A 69 1.989 1.778 -13.219 1.00 30.41 C ATOM 1094 C ALA A 69 1.270 2.419 -12.044 1.00 35.34 C ATOM 1095 O ALA A 69 0.546 3.396 -12.206 1.00 64.34 O ATOM 1096 CB ALA A 69 1.049 0.852 -13.970 1.00 22.35 C ATOM 0 H ALA A 69 2.983 0.091 -12.482 1.00 41.30 H new ATOM 0 HA ALA A 69 2.314 2.573 -13.890 1.00 30.41 H new ATOM 0 HB1 ALA A 69 0.171 1.410 -14.295 1.00 22.35 H new ATOM 0 HB2 ALA A 69 1.561 0.442 -14.840 1.00 22.35 H new ATOM 0 HB3 ALA A 69 0.739 0.038 -13.314 1.00 22.35 H new ATOM 1102 N ASP A 70 1.497 1.879 -10.856 1.00 53.24 N ATOM 1103 CA ASP A 70 0.814 2.348 -9.650 1.00 1.23 C ATOM 1104 C ASP A 70 1.281 3.747 -9.244 1.00 52.25 C ATOM 1105 O ASP A 70 0.616 4.439 -8.484 1.00 15.12 O ATOM 1106 CB ASP A 70 1.025 1.362 -8.502 1.00 64.43 C ATOM 1107 CG ASP A 70 -0.073 1.448 -7.466 1.00 45.14 C ATOM 1108 OD1 ASP A 70 -1.137 0.836 -7.679 1.00 15.51 O ATOM 1109 OD2 ASP A 70 0.119 2.112 -6.443 1.00 21.15 O ATOM 0 H ASP A 70 2.151 1.112 -10.697 1.00 53.24 H new ATOM 0 HA ASP A 70 -0.251 2.408 -9.875 1.00 1.23 H new ATOM 0 HB2 ASP A 70 1.068 0.348 -8.900 1.00 64.43 H new ATOM 0 HB3 ASP A 70 1.986 1.560 -8.028 1.00 64.43 H new ATOM 1114 N LYS A 71 2.420 4.166 -9.765 1.00 22.33 N ATOM 1115 CA LYS A 71 2.942 5.500 -9.484 1.00 20.11 C ATOM 1116 C LYS A 71 2.006 6.572 -10.053 1.00 2.11 C ATOM 1117 O LYS A 71 1.929 7.688 -9.537 1.00 21.23 O ATOM 1118 CB LYS A 71 4.352 5.658 -10.075 1.00 24.21 C ATOM 1119 CG LYS A 71 4.415 5.427 -11.581 1.00 62.42 C ATOM 1120 CD LYS A 71 5.847 5.440 -12.103 1.00 43.31 C ATOM 1121 CE LYS A 71 6.450 6.835 -12.097 1.00 34.04 C ATOM 1122 NZ LYS A 71 5.742 7.755 -13.019 1.00 63.45 N ATOM 0 H LYS A 71 3.004 3.605 -10.385 1.00 22.33 H new ATOM 0 HA LYS A 71 3.000 5.627 -8.403 1.00 20.11 H new ATOM 0 HB2 LYS A 71 4.718 6.661 -9.855 1.00 24.21 H new ATOM 0 HB3 LYS A 71 5.024 4.957 -9.580 1.00 24.21 H new ATOM 0 HG2 LYS A 71 3.951 4.470 -11.820 1.00 62.42 H new ATOM 0 HG3 LYS A 71 3.837 6.198 -12.090 1.00 62.42 H new ATOM 0 HD2 LYS A 71 6.460 4.779 -11.491 1.00 43.31 H new ATOM 0 HD3 LYS A 71 5.865 5.043 -13.118 1.00 43.31 H new ATOM 0 HE2 LYS A 71 6.416 7.240 -11.085 1.00 34.04 H new ATOM 0 HE3 LYS A 71 7.501 6.776 -12.381 1.00 34.04 H new ATOM 0 HZ1 LYS A 71 6.376 8.535 -13.285 1.00 63.45 H new ATOM 0 HZ2 LYS A 71 5.453 7.236 -13.873 1.00 63.45 H new ATOM 0 HZ3 LYS A 71 4.899 8.140 -12.546 1.00 63.45 H new ATOM 1136 N ALA A 72 1.257 6.189 -11.077 1.00 33.20 N ATOM 1137 CA ALA A 72 0.365 7.090 -11.792 1.00 3.55 C ATOM 1138 C ALA A 72 -0.818 7.562 -10.944 1.00 34.30 C ATOM 1139 O ALA A 72 -1.543 8.468 -11.347 1.00 73.05 O ATOM 1140 CB ALA A 72 -0.135 6.427 -13.066 1.00 31.54 C ATOM 0 H ALA A 72 1.251 5.235 -11.438 1.00 33.20 H new ATOM 0 HA ALA A 72 0.947 7.978 -12.039 1.00 3.55 H new ATOM 0 HB1 ALA A 72 -0.802 7.109 -13.594 1.00 31.54 H new ATOM 0 HB2 ALA A 72 0.713 6.181 -13.705 1.00 31.54 H new ATOM 0 HB3 ALA A 72 -0.675 5.515 -12.813 1.00 31.54 H new ATOM 1146 N ARG A 73 -1.011 6.974 -9.766 1.00 60.13 N ATOM 1147 CA ARG A 73 -2.166 7.343 -8.963 1.00 40.51 C ATOM 1148 C ARG A 73 -1.825 8.354 -7.869 1.00 35.24 C ATOM 1149 O ARG A 73 -2.685 9.108 -7.437 1.00 61.22 O ATOM 1150 CB ARG A 73 -2.948 6.116 -8.410 1.00 25.45 C ATOM 1151 CG ARG A 73 -2.135 5.055 -7.657 1.00 1.33 C ATOM 1152 CD ARG A 73 -1.577 5.556 -6.328 1.00 54.23 C ATOM 1153 NE ARG A 73 -2.607 6.158 -5.473 1.00 71.53 N ATOM 1154 CZ ARG A 73 -2.580 6.149 -4.135 1.00 72.41 C ATOM 1155 NH1 ARG A 73 -1.644 5.464 -3.488 1.00 64.14 N ATOM 1156 NH2 ARG A 73 -3.510 6.800 -3.450 1.00 32.14 N ATOM 0 H ARG A 73 -0.403 6.263 -9.359 1.00 60.13 H new ATOM 0 HA ARG A 73 -2.847 7.846 -9.649 1.00 40.51 H new ATOM 0 HB2 ARG A 73 -3.727 6.484 -7.742 1.00 25.45 H new ATOM 0 HB3 ARG A 73 -3.449 5.629 -9.246 1.00 25.45 H new ATOM 0 HG2 ARG A 73 -2.766 4.185 -7.474 1.00 1.33 H new ATOM 0 HG3 ARG A 73 -1.310 4.723 -8.288 1.00 1.33 H new ATOM 0 HD2 ARG A 73 -1.110 4.726 -5.798 1.00 54.23 H new ATOM 0 HD3 ARG A 73 -0.795 6.291 -6.521 1.00 54.23 H new ATOM 0 HE ARG A 73 -3.397 6.614 -5.930 1.00 71.53 H new ATOM 0 HH11 ARG A 73 -0.941 4.941 -4.011 1.00 64.14 H new ATOM 0 HH12 ARG A 73 -1.628 5.460 -2.468 1.00 64.14 H new ATOM 0 HH21 ARG A 73 -4.245 7.307 -3.943 1.00 32.14 H new ATOM 0 HH22 ARG A 73 -3.490 6.794 -2.430 1.00 32.14 H new ATOM 1170 N TYR A 74 -0.569 8.379 -7.425 1.00 40.32 N ATOM 1171 CA TYR A 74 -0.189 9.301 -6.357 1.00 63.25 C ATOM 1172 C TYR A 74 0.458 10.568 -6.912 1.00 23.23 C ATOM 1173 O TYR A 74 0.355 11.635 -6.309 1.00 12.44 O ATOM 1174 CB TYR A 74 0.725 8.624 -5.312 1.00 62.43 C ATOM 1175 CG TYR A 74 2.206 8.619 -5.651 1.00 75.31 C ATOM 1176 CD1 TYR A 74 2.762 7.620 -6.434 1.00 30.55 C ATOM 1177 CD2 TYR A 74 3.047 9.615 -5.164 1.00 0.40 C ATOM 1178 CE1 TYR A 74 4.115 7.612 -6.724 1.00 34.53 C ATOM 1179 CE2 TYR A 74 4.395 9.616 -5.451 1.00 42.23 C ATOM 1180 CZ TYR A 74 4.925 8.615 -6.230 1.00 32.34 C ATOM 1181 OH TYR A 74 6.273 8.607 -6.508 1.00 53.44 O ATOM 0 H TYR A 74 0.184 7.788 -7.777 1.00 40.32 H new ATOM 0 HA TYR A 74 -1.108 9.593 -5.849 1.00 63.25 H new ATOM 0 HB2 TYR A 74 0.590 9.128 -4.355 1.00 62.43 H new ATOM 0 HB3 TYR A 74 0.396 7.593 -5.179 1.00 62.43 H new ATOM 0 HD1 TYR A 74 2.130 6.836 -6.824 1.00 30.55 H new ATOM 0 HD2 TYR A 74 2.636 10.402 -4.550 1.00 0.40 H new ATOM 0 HE1 TYR A 74 4.535 6.826 -7.333 1.00 34.53 H new ATOM 0 HE2 TYR A 74 5.031 10.399 -5.066 1.00 42.23 H new ATOM 0 HH TYR A 74 6.699 9.383 -6.087 1.00 53.44 H new ATOM 1191 N GLU A 75 1.139 10.440 -8.052 1.00 32.45 N ATOM 1192 CA GLU A 75 1.790 11.590 -8.677 1.00 3.10 C ATOM 1193 C GLU A 75 0.806 12.727 -8.908 1.00 4.23 C ATOM 1194 O GLU A 75 1.031 13.843 -8.437 1.00 72.14 O ATOM 1195 CB GLU A 75 2.492 11.200 -9.971 1.00 41.43 C ATOM 1196 CG GLU A 75 3.665 10.263 -9.758 1.00 63.45 C ATOM 1197 CD GLU A 75 4.457 10.030 -11.016 1.00 0.11 C ATOM 1198 OE1 GLU A 75 3.947 9.358 -11.927 1.00 34.11 O ATOM 1199 OE2 GLU A 75 5.605 10.525 -11.104 1.00 60.53 O ATOM 0 H GLU A 75 1.253 9.561 -8.556 1.00 32.45 H new ATOM 0 HA GLU A 75 2.552 11.947 -7.984 1.00 3.10 H new ATOM 0 HB2 GLU A 75 1.772 10.725 -10.638 1.00 41.43 H new ATOM 0 HB3 GLU A 75 2.843 12.102 -10.472 1.00 41.43 H new ATOM 0 HG2 GLU A 75 4.321 10.677 -8.992 1.00 63.45 H new ATOM 0 HG3 GLU A 75 3.298 9.308 -9.382 1.00 63.45 H new ATOM 1206 N ARG A 76 -0.277 12.452 -9.644 1.00 3.02 N ATOM 1207 CA ARG A 76 -1.343 13.442 -9.873 1.00 53.04 C ATOM 1208 C ARG A 76 -1.849 14.096 -8.574 1.00 53.43 C ATOM 1209 O ARG A 76 -2.348 15.215 -8.599 1.00 41.42 O ATOM 1210 CB ARG A 76 -2.518 12.803 -10.622 1.00 63.32 C ATOM 1211 CG ARG A 76 -3.282 11.763 -9.816 1.00 73.21 C ATOM 1212 CD ARG A 76 -4.441 11.184 -10.613 1.00 3.51 C ATOM 1213 NE ARG A 76 -5.309 12.230 -11.169 1.00 62.14 N ATOM 1214 CZ ARG A 76 -6.487 12.599 -10.645 1.00 53.22 C ATOM 1215 NH1 ARG A 76 -6.913 12.061 -9.508 1.00 54.12 N ATOM 1216 NH2 ARG A 76 -7.223 13.523 -11.251 1.00 21.22 N ATOM 0 H ARG A 76 -0.441 11.551 -10.093 1.00 3.02 H new ATOM 0 HA ARG A 76 -0.901 14.232 -10.480 1.00 53.04 H new ATOM 0 HB2 ARG A 76 -3.209 13.588 -10.928 1.00 63.32 H new ATOM 0 HB3 ARG A 76 -2.143 12.336 -11.533 1.00 63.32 H new ATOM 0 HG2 ARG A 76 -2.606 10.961 -9.520 1.00 73.21 H new ATOM 0 HG3 ARG A 76 -3.659 12.216 -8.899 1.00 73.21 H new ATOM 0 HD2 ARG A 76 -4.051 10.569 -11.424 1.00 3.51 H new ATOM 0 HD3 ARG A 76 -5.030 10.529 -9.971 1.00 3.51 H new ATOM 0 HE ARG A 76 -4.994 12.709 -12.012 1.00 62.14 H new ATOM 0 HH11 ARG A 76 -6.343 11.364 -9.029 1.00 54.12 H new ATOM 0 HH12 ARG A 76 -7.810 12.345 -9.114 1.00 54.12 H new ATOM 0 HH21 ARG A 76 -6.892 13.952 -12.115 1.00 21.22 H new ATOM 0 HH22 ARG A 76 -8.119 13.804 -10.852 1.00 21.22 H new ATOM 1230 N GLU A 77 -1.688 13.410 -7.453 1.00 5.30 N ATOM 1231 CA GLU A 77 -2.149 13.931 -6.175 1.00 24.41 C ATOM 1232 C GLU A 77 -1.111 14.884 -5.588 1.00 63.41 C ATOM 1233 O GLU A 77 -1.449 15.913 -5.011 1.00 1.52 O ATOM 1234 CB GLU A 77 -2.432 12.791 -5.197 1.00 42.22 C ATOM 1235 CG GLU A 77 -3.531 11.846 -5.647 1.00 23.15 C ATOM 1236 CD GLU A 77 -4.846 12.552 -5.880 1.00 13.43 C ATOM 1237 OE1 GLU A 77 -5.321 13.257 -4.960 1.00 24.31 O ATOM 1238 OE2 GLU A 77 -5.414 12.409 -6.981 1.00 51.34 O ATOM 0 H GLU A 77 -1.243 12.494 -7.402 1.00 5.30 H new ATOM 0 HA GLU A 77 -3.076 14.479 -6.342 1.00 24.41 H new ATOM 0 HB2 GLU A 77 -1.516 12.220 -5.047 1.00 42.22 H new ATOM 0 HB3 GLU A 77 -2.705 13.215 -4.231 1.00 42.22 H new ATOM 0 HG2 GLU A 77 -3.223 11.348 -6.566 1.00 23.15 H new ATOM 0 HG3 GLU A 77 -3.668 11.070 -4.894 1.00 23.15 H new ATOM 1245 N MET A 78 0.151 14.528 -5.742 1.00 45.42 N ATOM 1246 CA MET A 78 1.252 15.349 -5.254 1.00 32.12 C ATOM 1247 C MET A 78 1.391 16.621 -6.096 1.00 45.31 C ATOM 1248 O MET A 78 1.528 17.720 -5.564 1.00 50.35 O ATOM 1249 CB MET A 78 2.559 14.526 -5.270 1.00 23.02 C ATOM 1250 CG MET A 78 3.796 15.246 -4.725 1.00 61.32 C ATOM 1251 SD MET A 78 4.560 16.366 -5.921 1.00 0.25 S ATOM 1252 CE MET A 78 6.004 16.901 -5.002 1.00 41.54 C ATOM 0 H MET A 78 0.444 13.668 -6.205 1.00 45.42 H new ATOM 0 HA MET A 78 1.044 15.654 -4.228 1.00 32.12 H new ATOM 0 HB2 MET A 78 2.403 13.617 -4.689 1.00 23.02 H new ATOM 0 HB3 MET A 78 2.762 14.218 -6.296 1.00 23.02 H new ATOM 0 HG2 MET A 78 3.516 15.812 -3.836 1.00 61.32 H new ATOM 0 HG3 MET A 78 4.531 14.504 -4.412 1.00 61.32 H new ATOM 0 HE1 MET A 78 6.582 17.599 -5.607 1.00 41.54 H new ATOM 0 HE2 MET A 78 5.688 17.393 -4.082 1.00 41.54 H new ATOM 0 HE3 MET A 78 6.621 16.036 -4.757 1.00 41.54 H new ATOM 1262 N LYS A 79 1.333 16.457 -7.411 1.00 21.22 N ATOM 1263 CA LYS A 79 1.482 17.585 -8.332 1.00 72.24 C ATOM 1264 C LYS A 79 0.343 18.607 -8.195 1.00 21.31 C ATOM 1265 O LYS A 79 0.512 19.779 -8.520 1.00 62.03 O ATOM 1266 CB LYS A 79 1.638 17.101 -9.793 1.00 53.34 C ATOM 1267 CG LYS A 79 0.423 16.388 -10.383 1.00 72.15 C ATOM 1268 CD LYS A 79 -0.614 17.371 -10.910 1.00 23.02 C ATOM 1269 CE LYS A 79 -1.810 16.655 -11.508 1.00 3.43 C ATOM 1270 NZ LYS A 79 -2.833 17.608 -11.999 1.00 24.13 N ATOM 0 H LYS A 79 1.184 15.557 -7.867 1.00 21.22 H new ATOM 0 HA LYS A 79 2.400 18.102 -8.052 1.00 72.24 H new ATOM 0 HB2 LYS A 79 1.872 17.962 -10.419 1.00 53.34 H new ATOM 0 HB3 LYS A 79 2.493 16.427 -9.845 1.00 53.34 H new ATOM 0 HG2 LYS A 79 0.745 15.732 -11.192 1.00 72.15 H new ATOM 0 HG3 LYS A 79 -0.032 15.755 -9.621 1.00 72.15 H new ATOM 0 HD2 LYS A 79 -0.946 18.020 -10.099 1.00 23.02 H new ATOM 0 HD3 LYS A 79 -0.158 18.012 -11.665 1.00 23.02 H new ATOM 0 HE2 LYS A 79 -1.480 16.021 -12.331 1.00 3.43 H new ATOM 0 HE3 LYS A 79 -2.254 16.000 -10.758 1.00 3.43 H new ATOM 0 HZ1 LYS A 79 -3.634 17.081 -12.400 1.00 24.13 H new ATOM 0 HZ2 LYS A 79 -3.167 18.197 -11.209 1.00 24.13 H new ATOM 0 HZ3 LYS A 79 -2.417 18.217 -12.733 1.00 24.13 H new ATOM 1284 N THR A 80 -0.808 18.168 -7.698 1.00 12.24 N ATOM 1285 CA THR A 80 -1.943 19.065 -7.539 1.00 72.03 C ATOM 1286 C THR A 80 -1.958 19.678 -6.133 1.00 33.43 C ATOM 1287 O THR A 80 -2.880 20.408 -5.763 1.00 12.20 O ATOM 1288 CB THR A 80 -3.296 18.340 -7.821 1.00 74.31 C ATOM 1289 OG1 THR A 80 -4.348 19.303 -7.989 1.00 62.01 O ATOM 1290 CG2 THR A 80 -3.664 17.394 -6.688 1.00 72.32 C ATOM 0 H THR A 80 -0.978 17.207 -7.402 1.00 12.24 H new ATOM 0 HA THR A 80 -1.830 19.863 -8.273 1.00 72.03 H new ATOM 0 HB THR A 80 -3.174 17.759 -8.735 1.00 74.31 H new ATOM 0 HG1 THR A 80 -4.172 20.082 -7.421 1.00 62.01 H new ATOM 0 HG21 THR A 80 -4.611 16.905 -6.915 1.00 72.32 H new ATOM 0 HG22 THR A 80 -2.884 16.640 -6.575 1.00 72.32 H new ATOM 0 HG23 THR A 80 -3.760 17.958 -5.760 1.00 72.32 H new ATOM 1298 N TYR A 81 -0.931 19.388 -5.358 1.00 62.34 N ATOM 1299 CA TYR A 81 -0.839 19.903 -4.010 1.00 55.24 C ATOM 1300 C TYR A 81 0.309 20.899 -3.872 1.00 41.33 C ATOM 1301 O TYR A 81 1.408 20.677 -4.389 1.00 73.43 O ATOM 1302 CB TYR A 81 -0.676 18.755 -3.003 1.00 71.31 C ATOM 1303 CG TYR A 81 -0.401 19.226 -1.593 1.00 3.24 C ATOM 1304 CD1 TYR A 81 -1.340 19.974 -0.895 1.00 2.21 C ATOM 1305 CD2 TYR A 81 0.806 18.943 -0.971 1.00 14.33 C ATOM 1306 CE1 TYR A 81 -1.084 20.421 0.384 1.00 13.22 C ATOM 1307 CE2 TYR A 81 1.069 19.391 0.306 1.00 11.01 C ATOM 1308 CZ TYR A 81 0.120 20.129 0.978 1.00 12.23 C ATOM 1309 OH TYR A 81 0.385 20.586 2.246 1.00 53.43 O ATOM 0 H TYR A 81 -0.149 18.798 -5.641 1.00 62.34 H new ATOM 0 HA TYR A 81 -1.768 20.430 -3.792 1.00 55.24 H new ATOM 0 HB2 TYR A 81 -1.582 18.149 -3.005 1.00 71.31 H new ATOM 0 HB3 TYR A 81 0.140 18.110 -3.328 1.00 71.31 H new ATOM 0 HD1 TYR A 81 -2.285 20.209 -1.361 1.00 2.21 H new ATOM 0 HD2 TYR A 81 1.551 18.363 -1.495 1.00 14.33 H new ATOM 0 HE1 TYR A 81 -1.826 20.998 0.916 1.00 13.22 H new ATOM 0 HE2 TYR A 81 2.014 19.164 0.777 1.00 11.01 H new ATOM 0 HH TYR A 81 -0.453 20.658 2.749 1.00 53.43 H new ATOM 1319 N ILE A 82 0.036 22.001 -3.197 1.00 5.30 N ATOM 1320 CA ILE A 82 1.037 23.011 -2.914 1.00 31.44 C ATOM 1321 C ILE A 82 1.239 23.098 -1.397 1.00 41.10 C ATOM 1322 O ILE A 82 0.347 23.541 -0.668 1.00 63.54 O ATOM 1323 CB ILE A 82 0.645 24.421 -3.473 1.00 32.33 C ATOM 1324 CG1 ILE A 82 0.621 24.432 -5.017 1.00 33.33 C ATOM 1325 CG2 ILE A 82 1.601 25.493 -2.960 1.00 4.10 C ATOM 1326 CD1 ILE A 82 -0.588 23.758 -5.637 1.00 32.24 C ATOM 0 H ILE A 82 -0.890 22.220 -2.829 1.00 5.30 H new ATOM 0 HA ILE A 82 1.959 22.714 -3.413 1.00 31.44 H new ATOM 0 HB ILE A 82 -0.360 24.643 -3.115 1.00 32.33 H new ATOM 0 HG12 ILE A 82 0.659 25.466 -5.360 1.00 33.33 H new ATOM 0 HG13 ILE A 82 1.522 23.941 -5.384 1.00 33.33 H new ATOM 0 HG21 ILE A 82 1.309 26.463 -3.361 1.00 4.10 H new ATOM 0 HG22 ILE A 82 1.562 25.524 -1.871 1.00 4.10 H new ATOM 0 HG23 ILE A 82 2.616 25.259 -3.280 1.00 4.10 H new ATOM 0 HD11 ILE A 82 -0.519 23.814 -6.723 1.00 32.24 H new ATOM 0 HD12 ILE A 82 -0.620 22.713 -5.329 1.00 32.24 H new ATOM 0 HD13 ILE A 82 -1.496 24.262 -5.305 1.00 32.24 H new ATOM 1338 N PRO A 83 2.398 22.651 -0.905 1.00 3.53 N ATOM 1339 CA PRO A 83 2.693 22.633 0.529 1.00 34.35 C ATOM 1340 C PRO A 83 3.047 24.018 1.083 1.00 61.33 C ATOM 1341 O PRO A 83 3.733 24.808 0.422 1.00 71.11 O ATOM 1342 CB PRO A 83 3.899 21.699 0.621 1.00 54.43 C ATOM 1343 CG PRO A 83 4.595 21.861 -0.684 1.00 74.33 C ATOM 1344 CD PRO A 83 3.521 22.126 -1.706 1.00 30.32 C ATOM 0 HA PRO A 83 1.832 22.313 1.116 1.00 34.35 H new ATOM 0 HB2 PRO A 83 4.548 21.970 1.454 1.00 54.43 H new ATOM 0 HB3 PRO A 83 3.590 20.666 0.781 1.00 54.43 H new ATOM 0 HG2 PRO A 83 5.307 22.686 -0.645 1.00 74.33 H new ATOM 0 HG3 PRO A 83 5.160 20.964 -0.937 1.00 74.33 H new ATOM 0 HD2 PRO A 83 3.850 22.846 -2.455 1.00 30.32 H new ATOM 0 HD3 PRO A 83 3.242 21.217 -2.239 1.00 30.32 H new ATOM 1352 N PRO A 84 2.563 24.340 2.300 1.00 71.21 N ATOM 1353 CA PRO A 84 2.880 25.608 2.969 1.00 63.21 C ATOM 1354 C PRO A 84 4.376 25.712 3.268 1.00 51.10 C ATOM 1355 O PRO A 84 5.016 24.717 3.618 1.00 21.00 O ATOM 1356 CB PRO A 84 2.081 25.540 4.279 1.00 30.14 C ATOM 1357 CG PRO A 84 1.044 24.494 4.048 1.00 41.34 C ATOM 1358 CD PRO A 84 1.660 23.505 3.108 1.00 23.04 C ATOM 0 HA PRO A 84 2.630 26.475 2.357 1.00 63.21 H new ATOM 0 HB2 PRO A 84 2.724 25.279 5.120 1.00 30.14 H new ATOM 0 HB3 PRO A 84 1.625 26.502 4.513 1.00 30.14 H new ATOM 0 HG2 PRO A 84 0.756 24.016 4.984 1.00 41.34 H new ATOM 0 HG3 PRO A 84 0.140 24.928 3.621 1.00 41.34 H new ATOM 0 HD2 PRO A 84 2.201 22.723 3.641 1.00 23.04 H new ATOM 0 HD3 PRO A 84 0.909 23.010 2.493 1.00 23.04 H new ATOM 1366 N LYS A 85 4.928 26.903 3.129 1.00 14.21 N ATOM 1367 CA LYS A 85 6.355 27.102 3.347 1.00 65.11 C ATOM 1368 C LYS A 85 6.675 27.412 4.805 1.00 2.03 C ATOM 1369 O LYS A 85 5.903 28.078 5.502 1.00 15.02 O ATOM 1370 CB LYS A 85 6.896 28.203 2.437 1.00 42.23 C ATOM 1371 CG LYS A 85 6.952 27.808 0.967 1.00 64.11 C ATOM 1372 CD LYS A 85 7.556 28.912 0.105 1.00 14.51 C ATOM 1373 CE LYS A 85 8.973 29.271 0.545 1.00 25.41 C ATOM 1374 NZ LYS A 85 9.881 28.093 0.542 1.00 22.34 N ATOM 0 H LYS A 85 4.416 27.746 2.868 1.00 14.21 H new ATOM 0 HA LYS A 85 6.850 26.164 3.096 1.00 65.11 H new ATOM 0 HB2 LYS A 85 6.271 29.090 2.543 1.00 42.23 H new ATOM 0 HB3 LYS A 85 7.897 28.478 2.769 1.00 42.23 H new ATOM 0 HG2 LYS A 85 7.542 26.898 0.858 1.00 64.11 H new ATOM 0 HG3 LYS A 85 5.946 27.580 0.614 1.00 64.11 H new ATOM 0 HD2 LYS A 85 7.570 28.592 -0.937 1.00 14.51 H new ATOM 0 HD3 LYS A 85 6.925 29.799 0.157 1.00 14.51 H new ATOM 0 HE2 LYS A 85 9.374 30.037 -0.118 1.00 25.41 H new ATOM 0 HE3 LYS A 85 8.942 29.701 1.546 1.00 25.41 H new ATOM 0 HZ1 LYS A 85 10.860 28.409 0.698 1.00 22.34 H new ATOM 0 HZ2 LYS A 85 9.603 27.438 1.301 1.00 22.34 H new ATOM 0 HZ3 LYS A 85 9.816 27.607 -0.375 1.00 22.34 H new ATOM 1388 N GLY A 86 7.811 26.921 5.250 1.00 32.31 N ATOM 1389 CA GLY A 86 8.255 27.133 6.604 1.00 23.23 C ATOM 1390 C GLY A 86 9.627 26.542 6.819 1.00 64.14 C ATOM 1391 O GLY A 86 10.205 25.964 5.897 1.00 74.02 O ATOM 0 H GLY A 86 8.450 26.365 4.682 1.00 32.31 H new ATOM 0 HA2 GLY A 86 8.276 28.201 6.821 1.00 23.23 H new ATOM 0 HA3 GLY A 86 7.547 26.681 7.298 1.00 23.23 H new ATOM 1395 N GLU A 87 10.152 26.682 8.016 1.00 4.40 N ATOM 1396 CA GLU A 87 11.458 26.145 8.335 1.00 3.43 C ATOM 1397 C GLU A 87 11.335 24.760 8.977 1.00 42.15 C ATOM 1398 O GLU A 87 11.628 23.757 8.288 1.00 0.00 O ATOM 1399 CB GLU A 87 12.272 27.115 9.230 1.00 14.34 C ATOM 1400 CG GLU A 87 11.599 27.528 10.545 1.00 60.10 C ATOM 1401 CD GLU A 87 10.435 28.476 10.354 1.00 20.24 C ATOM 1402 OE1 GLU A 87 10.665 29.698 10.280 1.00 32.12 O ATOM 1403 OE2 GLU A 87 9.276 28.005 10.297 1.00 40.01 O ATOM 1404 OXT GLU A 87 10.910 24.672 10.153 1.00 0.00 O ATOM 0 H GLU A 87 9.693 27.165 8.788 1.00 4.40 H new ATOM 0 HA GLU A 87 12.009 26.034 7.401 1.00 3.43 H new ATOM 0 HB2 GLU A 87 13.229 26.648 9.464 1.00 14.34 H new ATOM 0 HB3 GLU A 87 12.488 28.016 8.655 1.00 14.34 H new ATOM 0 HG2 GLU A 87 11.249 26.634 11.061 1.00 60.10 H new ATOM 0 HG3 GLU A 87 12.340 28.000 11.191 1.00 60.10 H new TER 1411 GLU A 87