USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=32 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 Single : A 1 GLY N :NH3+ -129:sc= 0.0622 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HE2:sc= 1.14 K(o=1.1,f=-4.1!) USER MOD Single : A 4 MET CE :methyl 138:sc= -0.131 (180deg=-0.653) USER MOD Single : A 6 LYS NZ :NH3+ 166:sc= -0.0359 (180deg=-0.247) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -178:sc= 1.51 (180deg=1.44) USER MOD Single : A 16 MET CE :methyl 162:sc= -0.296 (180deg=-0.969) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 100:sc= -0.325 USER MOD Single : A 19 TYR OH : rot -119:sc= 0.473 USER MOD Single : A 24 GLN : amide:sc= -1.32 K(o=-1.3,f=-3.5!) USER MOD Single : A 25 THR OG1 : rot 94:sc= 1.27 USER MOD Single : A 30 HIS : no HD1:sc= -0.479 X(o=-0.48,f=-0.75) USER MOD Single : A 31 LYS NZ :NH3+ -162:sc= -0.069 (180deg=-0.415) USER MOD Single : A 32 LYS NZ :NH3+ 171:sc= 1.17 (180deg=0.896) USER MOD Single : A 33 LYS NZ :NH3+ -164:sc= -0.0393 (180deg=-0.281) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.00065) USER MOD Single : A 38 SER OG : rot 180:sc= -0.574 USER MOD Single : A 40 ASN : amide:sc= -0.28 X(o=-0.28,f=-0.29) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -161:sc= -0.0611 (180deg=-0.364) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -55:sc= 1.22 USER MOD Single : A 53 LYS NZ :NH3+ 174:sc=-0.00253 (180deg=-0.0491) USER MOD Single : A 54 THR OG1 : rot 7:sc= 0.727 USER MOD Single : A 55 MET CE :methyl -116:sc= -1.33 (180deg=-1.87) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.135) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -173:sc= -1.18 (180deg=-1.27) USER MOD Single : A 68 LYS NZ :NH3+ -111:sc= -0.86 (180deg=-2.81!) USER MOD Single : A 71 LYS NZ :NH3+ 153:sc= 1.15 (180deg=-0.2) USER MOD Single : A 74 TYR OH : rot 100:sc= 0 USER MOD Single : A 78 MET CE :methyl -157:sc= -0.142 (180deg=-0.742) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 84:sc= 1.22 USER MOD Single : A 81 TYR OH : rot 58:sc= 1.14 USER MOD Single : A 85 LYS NZ :NH3+ 167:sc= -0.025 (180deg=-0.227) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.886 10.082 16.261 1.00 22.11 N ATOM 2 CA GLY A 1 8.269 9.700 14.977 1.00 15.55 C ATOM 3 C GLY A 1 7.513 8.393 15.078 1.00 74.03 C ATOM 4 O GLY A 1 7.071 8.015 16.165 1.00 30.31 O ATOM 0 H1 GLY A 1 8.627 11.062 16.492 1.00 22.11 H new ATOM 0 H2 GLY A 1 8.546 9.448 17.012 1.00 22.11 H new ATOM 0 H3 GLY A 1 9.920 10.006 16.185 1.00 22.11 H new ATOM 0 HA2 GLY A 1 7.589 10.488 14.653 1.00 15.55 H new ATOM 0 HA3 GLY A 1 9.043 9.613 14.214 1.00 15.55 H new ATOM 10 N SER A 2 7.353 7.710 13.939 1.00 13.22 N ATOM 11 CA SER A 2 6.666 6.413 13.873 1.00 35.41 C ATOM 12 C SER A 2 5.195 6.522 14.299 1.00 61.54 C ATOM 13 O SER A 2 4.622 5.573 14.837 1.00 13.22 O ATOM 14 CB SER A 2 7.394 5.380 14.740 1.00 31.31 C ATOM 15 OG SER A 2 8.741 5.224 14.323 1.00 63.41 O ATOM 0 H SER A 2 7.696 8.040 13.037 1.00 13.22 H new ATOM 0 HA SER A 2 6.684 6.086 12.834 1.00 35.41 H new ATOM 0 HB2 SER A 2 7.367 5.692 15.784 1.00 31.31 H new ATOM 0 HB3 SER A 2 6.878 4.422 14.680 1.00 31.31 H new ATOM 0 HG SER A 2 9.185 4.561 14.892 1.00 63.41 H new ATOM 21 N HIS A 3 4.580 7.661 14.030 1.00 72.30 N ATOM 22 CA HIS A 3 3.189 7.864 14.401 1.00 13.04 C ATOM 23 C HIS A 3 2.428 8.577 13.300 1.00 45.12 C ATOM 24 O HIS A 3 3.022 9.242 12.452 1.00 31.50 O ATOM 25 CB HIS A 3 3.073 8.657 15.720 1.00 61.04 C ATOM 26 CG HIS A 3 3.517 10.096 15.632 1.00 2.31 C ATOM 27 ND1 HIS A 3 2.670 11.129 15.286 1.00 32.44 N ATOM 28 CD2 HIS A 3 4.720 10.668 15.858 1.00 42.03 C ATOM 29 CE1 HIS A 3 3.334 12.266 15.304 1.00 53.35 C ATOM 30 NE2 HIS A 3 4.578 12.015 15.648 1.00 71.33 N ATOM 0 H HIS A 3 5.017 8.454 13.560 1.00 72.30 H new ATOM 0 HA HIS A 3 2.746 6.879 14.549 1.00 13.04 H new ATOM 0 HB2 HIS A 3 2.036 8.631 16.054 1.00 61.04 H new ATOM 0 HB3 HIS A 3 3.666 8.154 16.484 1.00 61.04 H new ATOM 0 HD1 HIS A 3 1.682 11.028 15.052 1.00 32.44 H new ATOM 0 HD2 HIS A 3 5.626 10.158 16.150 1.00 42.03 H new ATOM 0 HE1 HIS A 3 2.926 13.239 15.075 1.00 53.35 H new ATOM 39 N MET A 4 1.118 8.437 13.319 1.00 75.13 N ATOM 40 CA MET A 4 0.268 9.116 12.357 1.00 42.15 C ATOM 41 C MET A 4 0.099 10.573 12.765 1.00 62.03 C ATOM 42 O MET A 4 0.325 10.926 13.929 1.00 51.42 O ATOM 43 CB MET A 4 -1.096 8.422 12.252 1.00 31.44 C ATOM 44 CG MET A 4 -1.881 8.380 13.556 1.00 12.40 C ATOM 45 SD MET A 4 -3.462 7.522 13.391 1.00 21.52 S ATOM 46 CE MET A 4 -2.917 5.873 12.945 1.00 53.11 C ATOM 0 H MET A 4 0.616 7.858 13.992 1.00 75.13 H new ATOM 0 HA MET A 4 0.740 9.074 11.376 1.00 42.15 H new ATOM 0 HB2 MET A 4 -1.694 8.934 11.498 1.00 31.44 H new ATOM 0 HB3 MET A 4 -0.945 7.402 11.900 1.00 31.44 H new ATOM 0 HG2 MET A 4 -1.282 7.885 14.320 1.00 12.40 H new ATOM 0 HG3 MET A 4 -2.059 9.399 13.901 1.00 12.40 H new ATOM 0 HE1 MET A 4 -3.509 5.135 13.486 1.00 53.11 H new ATOM 0 HE2 MET A 4 -3.045 5.725 11.873 1.00 53.11 H new ATOM 0 HE3 MET A 4 -1.865 5.755 13.205 1.00 53.11 H new ATOM 56 N GLY A 5 -0.289 11.411 11.830 1.00 23.41 N ATOM 57 CA GLY A 5 -0.434 12.815 12.130 1.00 63.31 C ATOM 58 C GLY A 5 -1.839 13.320 11.907 1.00 41.43 C ATOM 59 O GLY A 5 -2.804 12.548 11.940 1.00 33.13 O ATOM 0 H GLY A 5 -0.507 11.149 10.869 1.00 23.41 H new ATOM 0 HA2 GLY A 5 -0.150 12.991 13.168 1.00 63.31 H new ATOM 0 HA3 GLY A 5 0.255 13.387 11.509 1.00 63.31 H new ATOM 63 N LYS A 6 -1.957 14.612 11.681 1.00 51.33 N ATOM 64 CA LYS A 6 -3.243 15.236 11.453 1.00 14.55 C ATOM 65 C LYS A 6 -3.107 16.392 10.472 1.00 3.31 C ATOM 66 O LYS A 6 -3.718 16.388 9.403 1.00 14.41 O ATOM 67 CB LYS A 6 -3.840 15.730 12.776 1.00 22.32 C ATOM 68 CG LYS A 6 -5.167 16.456 12.619 1.00 35.41 C ATOM 69 CD LYS A 6 -5.751 16.848 13.965 1.00 1.44 C ATOM 70 CE LYS A 6 -7.071 17.590 13.806 1.00 3.00 C ATOM 71 NZ LYS A 6 -8.085 16.777 13.085 1.00 10.51 N ATOM 0 H LYS A 6 -1.167 15.257 11.650 1.00 51.33 H new ATOM 0 HA LYS A 6 -3.915 14.493 11.024 1.00 14.55 H new ATOM 0 HB2 LYS A 6 -3.980 14.878 13.441 1.00 22.32 H new ATOM 0 HB3 LYS A 6 -3.126 16.398 13.259 1.00 22.32 H new ATOM 0 HG2 LYS A 6 -5.025 17.348 12.009 1.00 35.41 H new ATOM 0 HG3 LYS A 6 -5.872 15.816 12.088 1.00 35.41 H new ATOM 0 HD2 LYS A 6 -5.905 15.954 14.570 1.00 1.44 H new ATOM 0 HD3 LYS A 6 -5.041 17.477 14.501 1.00 1.44 H new ATOM 0 HE2 LYS A 6 -7.456 17.860 14.790 1.00 3.00 H new ATOM 0 HE3 LYS A 6 -6.901 18.520 13.264 1.00 3.00 H new ATOM 0 HZ1 LYS A 6 -9.024 17.209 13.203 1.00 10.51 H new ATOM 0 HZ2 LYS A 6 -7.845 16.740 12.074 1.00 10.51 H new ATOM 0 HZ3 LYS A 6 -8.096 15.812 13.473 1.00 10.51 H new ATOM 85 N GLY A 7 -2.292 17.368 10.832 1.00 3.30 N ATOM 86 CA GLY A 7 -2.106 18.523 9.985 1.00 32.14 C ATOM 87 C GLY A 7 -1.017 18.318 8.959 1.00 3.52 C ATOM 88 O GLY A 7 0.028 18.965 9.016 1.00 61.30 O ATOM 0 H GLY A 7 -1.754 17.381 11.699 1.00 3.30 H new ATOM 0 HA2 GLY A 7 -3.042 18.751 9.476 1.00 32.14 H new ATOM 0 HA3 GLY A 7 -1.861 19.387 10.603 1.00 32.14 H new ATOM 92 N ASP A 8 -1.251 17.408 8.031 1.00 32.20 N ATOM 93 CA ASP A 8 -0.290 17.136 6.973 1.00 23.15 C ATOM 94 C ASP A 8 -0.514 18.082 5.806 1.00 21.04 C ATOM 95 O ASP A 8 -1.644 18.509 5.558 1.00 15.42 O ATOM 96 CB ASP A 8 -0.391 15.681 6.492 1.00 11.53 C ATOM 97 CG ASP A 8 0.019 14.678 7.548 1.00 22.34 C ATOM 98 OD1 ASP A 8 1.214 14.659 7.927 1.00 25.11 O ATOM 99 OD2 ASP A 8 -0.843 13.895 7.991 1.00 74.12 O ATOM 0 H ASP A 8 -2.099 16.843 7.987 1.00 32.20 H new ATOM 0 HA ASP A 8 0.710 17.293 7.378 1.00 23.15 H new ATOM 0 HB2 ASP A 8 -1.416 15.477 6.184 1.00 11.53 H new ATOM 0 HB3 ASP A 8 0.238 15.551 5.612 1.00 11.53 H new ATOM 104 N PRO A 9 0.553 18.418 5.065 1.00 14.42 N ATOM 105 CA PRO A 9 0.475 19.342 3.921 1.00 24.54 C ATOM 106 C PRO A 9 -0.151 18.701 2.673 1.00 32.11 C ATOM 107 O PRO A 9 0.019 19.202 1.564 1.00 74.43 O ATOM 108 CB PRO A 9 1.942 19.685 3.658 1.00 61.53 C ATOM 109 CG PRO A 9 2.689 18.479 4.110 1.00 73.05 C ATOM 110 CD PRO A 9 1.934 17.943 5.293 1.00 63.32 C ATOM 0 HA PRO A 9 -0.159 20.202 4.138 1.00 24.54 H new ATOM 0 HB2 PRO A 9 2.119 19.890 2.602 1.00 61.53 H new ATOM 0 HB3 PRO A 9 2.248 20.573 4.211 1.00 61.53 H new ATOM 0 HG2 PRO A 9 2.747 17.736 3.315 1.00 73.05 H new ATOM 0 HG3 PRO A 9 3.713 18.734 4.384 1.00 73.05 H new ATOM 0 HD2 PRO A 9 1.982 16.855 5.340 1.00 63.32 H new ATOM 0 HD3 PRO A 9 2.339 18.321 6.232 1.00 63.32 H new ATOM 118 N LYS A 10 -0.867 17.588 2.874 1.00 61.54 N ATOM 119 CA LYS A 10 -1.546 16.855 1.791 1.00 13.23 C ATOM 120 C LYS A 10 -0.549 16.248 0.801 1.00 53.11 C ATOM 121 O LYS A 10 -0.920 15.831 -0.294 1.00 42.33 O ATOM 122 CB LYS A 10 -2.556 17.754 1.058 1.00 15.24 C ATOM 123 CG LYS A 10 -3.666 18.287 1.954 1.00 61.11 C ATOM 124 CD LYS A 10 -4.676 19.121 1.174 1.00 41.30 C ATOM 125 CE LYS A 10 -4.030 20.345 0.540 1.00 4.14 C ATOM 126 NZ LYS A 10 -5.029 21.212 -0.138 1.00 20.03 N ATOM 0 H LYS A 10 -0.994 17.167 3.794 1.00 61.54 H new ATOM 0 HA LYS A 10 -2.092 16.034 2.256 1.00 13.23 H new ATOM 0 HB2 LYS A 10 -2.024 18.596 0.614 1.00 15.24 H new ATOM 0 HB3 LYS A 10 -3.002 17.191 0.238 1.00 15.24 H new ATOM 0 HG2 LYS A 10 -4.178 17.452 2.433 1.00 61.11 H new ATOM 0 HG3 LYS A 10 -3.231 18.893 2.749 1.00 61.11 H new ATOM 0 HD2 LYS A 10 -5.131 18.507 0.397 1.00 41.30 H new ATOM 0 HD3 LYS A 10 -5.478 19.438 1.841 1.00 41.30 H new ATOM 0 HE2 LYS A 10 -3.512 20.920 1.307 1.00 4.14 H new ATOM 0 HE3 LYS A 10 -3.278 20.026 -0.181 1.00 4.14 H new ATOM 0 HZ1 LYS A 10 -4.548 22.034 -0.556 1.00 20.03 H new ATOM 0 HZ2 LYS A 10 -5.506 20.671 -0.888 1.00 20.03 H new ATOM 0 HZ3 LYS A 10 -5.733 21.538 0.555 1.00 20.03 H new ATOM 140 N LYS A 11 0.705 16.182 1.206 1.00 65.51 N ATOM 141 CA LYS A 11 1.749 15.619 0.375 1.00 22.44 C ATOM 142 C LYS A 11 1.822 14.106 0.577 1.00 60.33 C ATOM 143 O LYS A 11 2.059 13.639 1.693 1.00 75.12 O ATOM 144 CB LYS A 11 3.094 16.270 0.712 1.00 30.04 C ATOM 145 CG LYS A 11 4.252 15.811 -0.167 1.00 72.20 C ATOM 146 CD LYS A 11 5.553 16.514 0.209 1.00 40.41 C ATOM 147 CE LYS A 11 5.464 18.017 -0.021 1.00 20.44 C ATOM 148 NZ LYS A 11 6.700 18.718 0.404 1.00 2.14 N ATOM 0 H LYS A 11 1.026 16.515 2.115 1.00 65.51 H new ATOM 0 HA LYS A 11 1.517 15.818 -0.671 1.00 22.44 H new ATOM 0 HB2 LYS A 11 2.993 17.352 0.624 1.00 30.04 H new ATOM 0 HB3 LYS A 11 3.337 16.057 1.753 1.00 30.04 H new ATOM 0 HG2 LYS A 11 4.379 14.733 -0.070 1.00 72.20 H new ATOM 0 HG3 LYS A 11 4.018 16.011 -1.213 1.00 72.20 H new ATOM 0 HD2 LYS A 11 5.784 16.318 1.256 1.00 40.41 H new ATOM 0 HD3 LYS A 11 6.373 16.103 -0.380 1.00 40.41 H new ATOM 0 HE2 LYS A 11 5.282 18.212 -1.078 1.00 20.44 H new ATOM 0 HE3 LYS A 11 4.612 18.418 0.529 1.00 20.44 H new ATOM 0 HZ1 LYS A 11 6.598 19.738 0.230 1.00 2.14 H new ATOM 0 HZ2 LYS A 11 6.861 18.554 1.418 1.00 2.14 H new ATOM 0 HZ3 LYS A 11 7.509 18.354 -0.138 1.00 2.14 H new ATOM 162 N PRO A 12 1.591 13.324 -0.497 1.00 61.03 N ATOM 163 CA PRO A 12 1.633 11.855 -0.438 1.00 72.54 C ATOM 164 C PRO A 12 2.963 11.331 0.103 1.00 32.15 C ATOM 165 O PRO A 12 4.024 11.590 -0.469 1.00 54.45 O ATOM 166 CB PRO A 12 1.456 11.432 -1.902 1.00 4.41 C ATOM 167 CG PRO A 12 0.763 12.580 -2.547 1.00 54.22 C ATOM 168 CD PRO A 12 1.264 13.811 -1.850 1.00 41.32 C ATOM 0 HA PRO A 12 0.872 11.457 0.233 1.00 72.54 H new ATOM 0 HB2 PRO A 12 2.417 11.233 -2.376 1.00 4.41 H new ATOM 0 HB3 PRO A 12 0.867 10.519 -1.982 1.00 4.41 H new ATOM 0 HG2 PRO A 12 0.983 12.619 -3.614 1.00 54.22 H new ATOM 0 HG3 PRO A 12 -0.319 12.488 -2.448 1.00 54.22 H new ATOM 0 HD2 PRO A 12 2.138 14.229 -2.350 1.00 41.32 H new ATOM 0 HD3 PRO A 12 0.507 14.595 -1.824 1.00 41.32 H new ATOM 176 N ARG A 13 2.896 10.607 1.207 1.00 21.30 N ATOM 177 CA ARG A 13 4.083 10.039 1.841 1.00 12.02 C ATOM 178 C ARG A 13 3.864 8.573 2.189 1.00 72.35 C ATOM 179 O ARG A 13 4.776 7.751 2.072 1.00 50.15 O ATOM 180 CB ARG A 13 4.423 10.793 3.130 1.00 55.12 C ATOM 181 CG ARG A 13 4.864 12.231 2.942 1.00 11.05 C ATOM 182 CD ARG A 13 5.087 12.891 4.291 1.00 64.43 C ATOM 183 NE ARG A 13 5.586 14.261 4.175 1.00 11.53 N ATOM 184 CZ ARG A 13 5.430 15.189 5.123 1.00 12.41 C ATOM 185 NH1 ARG A 13 4.768 14.894 6.238 1.00 53.11 N ATOM 186 NH2 ARG A 13 5.940 16.409 4.959 1.00 4.12 N ATOM 0 H ARG A 13 2.024 10.395 1.691 1.00 21.30 H new ATOM 0 HA ARG A 13 4.904 10.130 1.130 1.00 12.02 H new ATOM 0 HB2 ARG A 13 3.548 10.781 3.780 1.00 55.12 H new ATOM 0 HB3 ARG A 13 5.214 10.253 3.650 1.00 55.12 H new ATOM 0 HG2 ARG A 13 5.783 12.264 2.356 1.00 11.05 H new ATOM 0 HG3 ARG A 13 4.108 12.780 2.380 1.00 11.05 H new ATOM 0 HD2 ARG A 13 4.150 12.896 4.847 1.00 64.43 H new ATOM 0 HD3 ARG A 13 5.797 12.298 4.868 1.00 64.43 H new ATOM 0 HE ARG A 13 6.081 14.522 3.322 1.00 11.53 H new ATOM 0 HH11 ARG A 13 4.380 13.960 6.369 1.00 53.11 H new ATOM 0 HH12 ARG A 13 4.648 15.602 6.963 1.00 53.11 H new ATOM 0 HH21 ARG A 13 6.452 16.637 4.107 1.00 4.12 H new ATOM 0 HH22 ARG A 13 5.818 17.114 5.686 1.00 4.12 H new ATOM 200 N GLY A 14 2.647 8.248 2.595 1.00 14.23 N ATOM 201 CA GLY A 14 2.364 6.906 3.055 1.00 35.13 C ATOM 202 C GLY A 14 1.830 5.989 1.978 1.00 33.15 C ATOM 203 O GLY A 14 0.692 5.522 2.064 1.00 12.05 O ATOM 0 H GLY A 14 1.852 8.887 2.614 1.00 14.23 H new ATOM 0 HA2 GLY A 14 3.276 6.474 3.467 1.00 35.13 H new ATOM 0 HA3 GLY A 14 1.639 6.956 3.868 1.00 35.13 H new ATOM 207 N LYS A 15 2.634 5.736 0.971 1.00 32.11 N ATOM 208 CA LYS A 15 2.274 4.799 -0.072 1.00 41.25 C ATOM 209 C LYS A 15 3.205 3.590 0.048 1.00 32.24 C ATOM 210 O LYS A 15 4.425 3.746 0.147 1.00 43.44 O ATOM 211 CB LYS A 15 2.341 5.490 -1.466 1.00 72.32 C ATOM 212 CG LYS A 15 3.512 5.097 -2.361 1.00 71.10 C ATOM 213 CD LYS A 15 3.231 3.798 -3.093 1.00 21.01 C ATOM 214 CE LYS A 15 4.352 3.438 -4.036 1.00 22.11 C ATOM 215 NZ LYS A 15 4.068 2.179 -4.761 1.00 5.51 N ATOM 0 H LYS A 15 3.549 6.169 0.850 1.00 32.11 H new ATOM 0 HA LYS A 15 1.246 4.455 0.038 1.00 41.25 H new ATOM 0 HB2 LYS A 15 1.415 5.274 -2.000 1.00 72.32 H new ATOM 0 HB3 LYS A 15 2.376 6.568 -1.312 1.00 72.32 H new ATOM 0 HG2 LYS A 15 3.703 5.891 -3.083 1.00 71.10 H new ATOM 0 HG3 LYS A 15 4.414 4.990 -1.758 1.00 71.10 H new ATOM 0 HD2 LYS A 15 3.091 2.995 -2.369 1.00 21.01 H new ATOM 0 HD3 LYS A 15 2.300 3.889 -3.652 1.00 21.01 H new ATOM 0 HE2 LYS A 15 4.500 4.246 -4.752 1.00 22.11 H new ATOM 0 HE3 LYS A 15 5.281 3.335 -3.476 1.00 22.11 H new ATOM 0 HZ1 LYS A 15 4.873 1.943 -5.375 1.00 5.51 H new ATOM 0 HZ2 LYS A 15 3.918 1.411 -4.077 1.00 5.51 H new ATOM 0 HZ3 LYS A 15 3.213 2.298 -5.341 1.00 5.51 H new ATOM 229 N MET A 16 2.635 2.392 0.116 1.00 64.21 N ATOM 230 CA MET A 16 3.410 1.178 0.346 1.00 20.32 C ATOM 231 C MET A 16 4.010 0.611 -0.936 1.00 10.15 C ATOM 232 O MET A 16 3.570 0.924 -2.047 1.00 41.25 O ATOM 233 CB MET A 16 2.545 0.107 1.011 1.00 20.24 C ATOM 234 CG MET A 16 1.661 0.608 2.143 1.00 31.15 C ATOM 235 SD MET A 16 0.169 1.444 1.553 1.00 31.33 S ATOM 236 CE MET A 16 -0.678 0.091 0.732 1.00 42.43 C ATOM 0 H MET A 16 1.632 2.235 0.014 1.00 64.21 H new ATOM 0 HA MET A 16 4.232 1.458 1.004 1.00 20.32 H new ATOM 0 HB2 MET A 16 1.912 -0.351 0.251 1.00 20.24 H new ATOM 0 HB3 MET A 16 3.196 -0.677 1.398 1.00 20.24 H new ATOM 0 HG2 MET A 16 1.375 -0.234 2.773 1.00 31.15 H new ATOM 0 HG3 MET A 16 2.233 1.294 2.768 1.00 31.15 H new ATOM 0 HE1 MET A 16 -1.729 0.347 0.599 1.00 42.43 H new ATOM 0 HE2 MET A 16 -0.222 -0.086 -0.242 1.00 42.43 H new ATOM 0 HE3 MET A 16 -0.598 -0.810 1.340 1.00 42.43 H new ATOM 246 N SER A 17 5.003 -0.244 -0.761 1.00 23.43 N ATOM 247 CA SER A 17 5.674 -0.903 -1.863 1.00 64.23 C ATOM 248 C SER A 17 5.076 -2.289 -2.125 1.00 13.54 C ATOM 249 O SER A 17 3.963 -2.590 -1.674 1.00 73.03 O ATOM 250 CB SER A 17 7.168 -1.009 -1.555 1.00 51.50 C ATOM 251 OG SER A 17 7.708 0.266 -1.241 1.00 0.21 O ATOM 0 H SER A 17 5.367 -0.501 0.157 1.00 23.43 H new ATOM 0 HA SER A 17 5.533 -0.310 -2.767 1.00 64.23 H new ATOM 0 HB2 SER A 17 7.324 -1.691 -0.720 1.00 51.50 H new ATOM 0 HB3 SER A 17 7.692 -1.430 -2.413 1.00 51.50 H new ATOM 0 HG SER A 17 8.664 0.177 -1.045 1.00 0.21 H new ATOM 257 N SER A 18 5.827 -3.133 -2.832 1.00 73.24 N ATOM 258 CA SER A 18 5.403 -4.467 -3.239 1.00 65.44 C ATOM 259 C SER A 18 4.980 -5.357 -2.068 1.00 0.11 C ATOM 260 O SER A 18 4.095 -6.201 -2.225 1.00 33.21 O ATOM 261 CB SER A 18 6.524 -5.120 -4.035 1.00 54.22 C ATOM 262 OG SER A 18 6.895 -4.289 -5.127 1.00 11.21 O ATOM 0 H SER A 18 6.770 -2.900 -3.144 1.00 73.24 H new ATOM 0 HA SER A 18 4.512 -4.354 -3.857 1.00 65.44 H new ATOM 0 HB2 SER A 18 7.386 -5.293 -3.390 1.00 54.22 H new ATOM 0 HB3 SER A 18 6.200 -6.094 -4.402 1.00 54.22 H new ATOM 0 HG SER A 18 7.705 -3.788 -4.897 1.00 11.21 H new ATOM 268 N TYR A 19 5.619 -5.188 -0.911 1.00 62.31 N ATOM 269 CA TYR A 19 5.272 -5.959 0.283 1.00 10.43 C ATOM 270 C TYR A 19 3.768 -5.888 0.556 1.00 3.00 C ATOM 271 O TYR A 19 3.119 -6.910 0.777 1.00 74.15 O ATOM 272 CB TYR A 19 6.060 -5.441 1.495 1.00 73.25 C ATOM 273 CG TYR A 19 5.885 -6.270 2.753 1.00 15.54 C ATOM 274 CD1 TYR A 19 6.599 -7.448 2.933 1.00 33.44 C ATOM 275 CD2 TYR A 19 5.011 -5.871 3.760 1.00 41.14 C ATOM 276 CE1 TYR A 19 6.448 -8.206 4.077 1.00 44.20 C ATOM 277 CE2 TYR A 19 4.857 -6.625 4.910 1.00 72.41 C ATOM 278 CZ TYR A 19 5.577 -7.790 5.063 1.00 0.31 C ATOM 279 OH TYR A 19 5.429 -8.544 6.208 1.00 71.02 O ATOM 0 H TYR A 19 6.381 -4.523 -0.775 1.00 62.31 H new ATOM 0 HA TYR A 19 5.538 -7.002 0.110 1.00 10.43 H new ATOM 0 HB2 TYR A 19 7.119 -5.410 1.239 1.00 73.25 H new ATOM 0 HB3 TYR A 19 5.752 -4.416 1.703 1.00 73.25 H new ATOM 0 HD1 TYR A 19 7.284 -7.776 2.165 1.00 33.44 H new ATOM 0 HD2 TYR A 19 4.444 -4.959 3.642 1.00 41.14 H new ATOM 0 HE1 TYR A 19 7.009 -9.121 4.200 1.00 44.20 H new ATOM 0 HE2 TYR A 19 4.176 -6.302 5.684 1.00 72.41 H new ATOM 0 HH TYR A 19 4.500 -8.847 6.283 1.00 71.02 H new ATOM 289 N ALA A 20 3.224 -4.676 0.521 1.00 3.34 N ATOM 290 CA ALA A 20 1.799 -4.470 0.741 1.00 72.51 C ATOM 291 C ALA A 20 0.977 -5.179 -0.322 1.00 31.10 C ATOM 292 O ALA A 20 -0.040 -5.800 -0.015 1.00 60.23 O ATOM 293 CB ALA A 20 1.470 -2.997 0.758 1.00 2.02 C ATOM 0 H ALA A 20 3.750 -3.821 0.342 1.00 3.34 H new ATOM 0 HA ALA A 20 1.545 -4.895 1.712 1.00 72.51 H new ATOM 0 HB1 ALA A 20 0.401 -2.865 0.924 1.00 2.02 H new ATOM 0 HB2 ALA A 20 2.024 -2.510 1.560 1.00 2.02 H new ATOM 0 HB3 ALA A 20 1.747 -2.551 -0.197 1.00 2.02 H new ATOM 299 N PHE A 21 1.415 -5.070 -1.576 1.00 22.40 N ATOM 300 CA PHE A 21 0.747 -5.748 -2.686 1.00 62.11 C ATOM 301 C PHE A 21 0.621 -7.241 -2.428 1.00 31.11 C ATOM 302 O PHE A 21 -0.389 -7.853 -2.770 1.00 60.12 O ATOM 303 CB PHE A 21 1.481 -5.503 -4.006 1.00 20.43 C ATOM 304 CG PHE A 21 1.340 -4.105 -4.525 1.00 43.12 C ATOM 305 CD1 PHE A 21 2.133 -3.087 -4.033 1.00 31.24 C ATOM 306 CD2 PHE A 21 0.407 -3.809 -5.503 1.00 64.30 C ATOM 307 CE1 PHE A 21 2.003 -1.801 -4.504 1.00 3.04 C ATOM 308 CE2 PHE A 21 0.273 -2.523 -5.979 1.00 25.25 C ATOM 309 CZ PHE A 21 1.072 -1.519 -5.477 1.00 55.13 C ATOM 0 H PHE A 21 2.229 -4.519 -1.848 1.00 22.40 H new ATOM 0 HA PHE A 21 -0.256 -5.327 -2.764 1.00 62.11 H new ATOM 0 HB2 PHE A 21 2.539 -5.725 -3.869 1.00 20.43 H new ATOM 0 HB3 PHE A 21 1.104 -6.199 -4.755 1.00 20.43 H new ATOM 0 HD1 PHE A 21 2.865 -3.303 -3.269 1.00 31.24 H new ATOM 0 HD2 PHE A 21 -0.222 -4.593 -5.897 1.00 64.30 H new ATOM 0 HE1 PHE A 21 2.630 -1.015 -4.111 1.00 3.04 H new ATOM 0 HE2 PHE A 21 -0.457 -2.302 -6.744 1.00 25.25 H new ATOM 0 HZ PHE A 21 0.967 -0.510 -5.848 1.00 55.13 H new ATOM 319 N PHE A 22 1.632 -7.831 -1.822 1.00 31.23 N ATOM 320 CA PHE A 22 1.575 -9.242 -1.512 1.00 32.03 C ATOM 321 C PHE A 22 0.566 -9.503 -0.402 1.00 72.11 C ATOM 322 O PHE A 22 -0.159 -10.486 -0.439 1.00 73.21 O ATOM 323 CB PHE A 22 2.947 -9.792 -1.129 1.00 1.43 C ATOM 324 CG PHE A 22 2.927 -11.270 -0.858 1.00 73.44 C ATOM 325 CD1 PHE A 22 2.507 -12.158 -1.837 1.00 10.41 C ATOM 326 CD2 PHE A 22 3.309 -11.769 0.372 1.00 34.04 C ATOM 327 CE1 PHE A 22 2.472 -13.515 -1.592 1.00 64.12 C ATOM 328 CE2 PHE A 22 3.275 -13.126 0.621 1.00 41.24 C ATOM 329 CZ PHE A 22 2.857 -13.999 -0.360 1.00 40.53 C ATOM 0 H PHE A 22 2.492 -7.361 -1.538 1.00 31.23 H new ATOM 0 HA PHE A 22 1.251 -9.765 -2.412 1.00 32.03 H new ATOM 0 HB2 PHE A 22 3.654 -9.584 -1.932 1.00 1.43 H new ATOM 0 HB3 PHE A 22 3.308 -9.270 -0.243 1.00 1.43 H new ATOM 0 HD1 PHE A 22 2.204 -11.782 -2.803 1.00 10.41 H new ATOM 0 HD2 PHE A 22 3.637 -11.091 1.146 1.00 34.04 H new ATOM 0 HE1 PHE A 22 2.144 -14.196 -2.363 1.00 64.12 H new ATOM 0 HE2 PHE A 22 3.577 -13.505 1.587 1.00 41.24 H new ATOM 0 HZ PHE A 22 2.831 -15.061 -0.164 1.00 40.53 H new ATOM 339 N VAL A 23 0.501 -8.593 0.560 1.00 0.45 N ATOM 340 CA VAL A 23 -0.426 -8.720 1.685 1.00 34.11 C ATOM 341 C VAL A 23 -1.885 -8.703 1.206 1.00 53.34 C ATOM 342 O VAL A 23 -2.761 -9.288 1.831 1.00 14.31 O ATOM 343 CB VAL A 23 -0.211 -7.597 2.730 1.00 61.43 C ATOM 344 CG1 VAL A 23 -1.169 -7.753 3.901 1.00 74.12 C ATOM 345 CG2 VAL A 23 1.229 -7.589 3.218 1.00 62.23 C ATOM 0 H VAL A 23 1.080 -7.754 0.587 1.00 0.45 H new ATOM 0 HA VAL A 23 -0.219 -9.680 2.159 1.00 34.11 H new ATOM 0 HB VAL A 23 -0.418 -6.642 2.247 1.00 61.43 H new ATOM 0 HG11 VAL A 23 -0.998 -6.952 4.620 1.00 74.12 H new ATOM 0 HG12 VAL A 23 -2.196 -7.703 3.540 1.00 74.12 H new ATOM 0 HG13 VAL A 23 -1.001 -8.716 4.383 1.00 74.12 H new ATOM 0 HG21 VAL A 23 1.360 -6.793 3.951 1.00 62.23 H new ATOM 0 HG22 VAL A 23 1.462 -8.549 3.678 1.00 62.23 H new ATOM 0 HG23 VAL A 23 1.898 -7.419 2.374 1.00 62.23 H new ATOM 355 N GLN A 24 -2.123 -8.090 0.061 1.00 70.25 N ATOM 356 CA GLN A 24 -3.483 -8.016 -0.454 1.00 64.41 C ATOM 357 C GLN A 24 -3.732 -9.149 -1.442 1.00 30.32 C ATOM 358 O GLN A 24 -4.798 -9.769 -1.439 1.00 55.33 O ATOM 359 CB GLN A 24 -3.791 -6.642 -1.074 1.00 64.14 C ATOM 360 CG GLN A 24 -2.791 -6.177 -2.114 1.00 61.41 C ATOM 361 CD GLN A 24 -3.148 -4.836 -2.725 1.00 42.41 C ATOM 362 OE1 GLN A 24 -2.270 -4.057 -3.093 1.00 60.31 O ATOM 363 NE2 GLN A 24 -4.433 -4.567 -2.853 1.00 73.44 N ATOM 0 H GLN A 24 -1.413 -7.645 -0.520 1.00 70.25 H new ATOM 0 HA GLN A 24 -4.169 -8.135 0.385 1.00 64.41 H new ATOM 0 HB2 GLN A 24 -4.780 -6.679 -1.531 1.00 64.14 H new ATOM 0 HB3 GLN A 24 -3.836 -5.901 -0.276 1.00 64.14 H new ATOM 0 HG2 GLN A 24 -1.804 -6.110 -1.656 1.00 61.41 H new ATOM 0 HG3 GLN A 24 -2.725 -6.924 -2.905 1.00 61.41 H new ATOM 0 HE21 GLN A 24 -5.129 -5.241 -2.535 1.00 73.44 H new ATOM 0 HE22 GLN A 24 -4.730 -3.685 -3.270 1.00 73.44 H new ATOM 372 N THR A 25 -2.727 -9.438 -2.262 1.00 32.25 N ATOM 373 CA THR A 25 -2.779 -10.533 -3.227 1.00 51.34 C ATOM 374 C THR A 25 -2.772 -11.898 -2.499 1.00 31.34 C ATOM 375 O THR A 25 -3.026 -12.943 -3.095 1.00 1.50 O ATOM 376 CB THR A 25 -1.598 -10.452 -4.226 1.00 5.42 C ATOM 377 OG1 THR A 25 -1.539 -9.131 -4.787 1.00 23.34 O ATOM 378 CG2 THR A 25 -1.758 -11.460 -5.359 1.00 52.02 C ATOM 0 H THR A 25 -1.850 -8.918 -2.277 1.00 32.25 H new ATOM 0 HA THR A 25 -3.708 -10.440 -3.790 1.00 51.34 H new ATOM 0 HB THR A 25 -0.681 -10.681 -3.684 1.00 5.42 H new ATOM 0 HG1 THR A 25 -0.913 -8.583 -4.269 1.00 23.34 H new ATOM 0 HG21 THR A 25 -0.913 -11.377 -6.042 1.00 52.02 H new ATOM 0 HG22 THR A 25 -1.793 -12.468 -4.947 1.00 52.02 H new ATOM 0 HG23 THR A 25 -2.682 -11.256 -5.899 1.00 52.02 H new ATOM 386 N CYS A 26 -2.520 -11.865 -1.202 1.00 25.23 N ATOM 387 CA CYS A 26 -2.471 -13.074 -0.401 1.00 72.33 C ATOM 388 C CYS A 26 -3.817 -13.282 0.273 1.00 65.54 C ATOM 389 O CYS A 26 -4.289 -14.410 0.415 1.00 12.54 O ATOM 390 CB CYS A 26 -1.351 -12.966 0.640 1.00 11.40 C ATOM 391 SG CYS A 26 -1.142 -14.422 1.706 1.00 41.23 S ATOM 0 H CYS A 26 -2.345 -11.007 -0.679 1.00 25.23 H new ATOM 0 HA CYS A 26 -2.260 -13.932 -1.039 1.00 72.33 H new ATOM 0 HB2 CYS A 26 -0.411 -12.778 0.121 1.00 11.40 H new ATOM 0 HB3 CYS A 26 -1.546 -12.099 1.271 1.00 11.40 H new ATOM 396 N ARG A 27 -4.451 -12.171 0.665 1.00 44.12 N ATOM 397 CA ARG A 27 -5.779 -12.216 1.257 1.00 55.15 C ATOM 398 C ARG A 27 -6.759 -12.681 0.206 1.00 63.42 C ATOM 399 O ARG A 27 -7.618 -13.512 0.467 1.00 11.12 O ATOM 400 CB ARG A 27 -6.198 -10.825 1.760 1.00 31.42 C ATOM 401 CG ARG A 27 -5.380 -10.306 2.931 1.00 24.33 C ATOM 402 CD ARG A 27 -5.635 -8.820 3.178 1.00 0.22 C ATOM 403 NE ARG A 27 -7.025 -8.538 3.545 1.00 52.22 N ATOM 404 CZ ARG A 27 -7.595 -7.327 3.491 1.00 71.32 C ATOM 405 NH1 ARG A 27 -6.909 -6.280 3.034 1.00 11.42 N ATOM 406 NH2 ARG A 27 -8.853 -7.167 3.887 1.00 53.33 N ATOM 0 H ARG A 27 -4.060 -11.233 0.580 1.00 44.12 H new ATOM 0 HA ARG A 27 -5.770 -12.902 2.104 1.00 55.15 H new ATOM 0 HB2 ARG A 27 -6.120 -10.116 0.936 1.00 31.42 H new ATOM 0 HB3 ARG A 27 -7.247 -10.859 2.053 1.00 31.42 H new ATOM 0 HG2 ARG A 27 -5.628 -10.873 3.829 1.00 24.33 H new ATOM 0 HG3 ARG A 27 -4.320 -10.467 2.735 1.00 24.33 H new ATOM 0 HD2 ARG A 27 -4.976 -8.470 3.972 1.00 0.22 H new ATOM 0 HD3 ARG A 27 -5.379 -8.258 2.280 1.00 0.22 H new ATOM 0 HE ARG A 27 -7.599 -9.319 3.864 1.00 52.22 H new ATOM 0 HH11 ARG A 27 -5.945 -6.398 2.723 1.00 11.42 H new ATOM 0 HH12 ARG A 27 -7.348 -5.360 2.995 1.00 11.42 H new ATOM 0 HH21 ARG A 27 -9.385 -7.966 4.232 1.00 53.33 H new ATOM 0 HH22 ARG A 27 -9.287 -6.245 3.846 1.00 53.33 H new ATOM 420 N GLU A 28 -6.581 -12.145 -0.999 1.00 24.34 N ATOM 421 CA GLU A 28 -7.420 -12.449 -2.148 1.00 71.23 C ATOM 422 C GLU A 28 -7.564 -13.956 -2.360 1.00 70.12 C ATOM 423 O GLU A 28 -8.625 -14.529 -2.099 1.00 11.22 O ATOM 424 CB GLU A 28 -6.826 -11.787 -3.403 1.00 1.55 C ATOM 425 CG GLU A 28 -7.565 -12.099 -4.696 1.00 11.03 C ATOM 426 CD GLU A 28 -9.007 -11.661 -4.662 1.00 62.25 C ATOM 427 OE1 GLU A 28 -9.279 -10.471 -4.911 1.00 10.23 O ATOM 428 OE2 GLU A 28 -9.880 -12.504 -4.397 1.00 13.10 O ATOM 0 H GLU A 28 -5.838 -11.477 -1.204 1.00 24.34 H new ATOM 0 HA GLU A 28 -8.417 -12.051 -1.959 1.00 71.23 H new ATOM 0 HB2 GLU A 28 -6.816 -10.707 -3.257 1.00 1.55 H new ATOM 0 HB3 GLU A 28 -5.788 -12.104 -3.508 1.00 1.55 H new ATOM 0 HG2 GLU A 28 -7.059 -11.606 -5.527 1.00 11.03 H new ATOM 0 HG3 GLU A 28 -7.520 -13.171 -4.886 1.00 11.03 H new ATOM 435 N GLU A 29 -6.502 -14.592 -2.840 1.00 60.52 N ATOM 436 CA GLU A 29 -6.480 -16.016 -3.132 1.00 73.50 C ATOM 437 C GLU A 29 -6.921 -16.863 -1.927 1.00 51.32 C ATOM 438 O GLU A 29 -7.570 -17.897 -2.093 1.00 72.22 O ATOM 439 CB GLU A 29 -5.070 -16.413 -3.553 1.00 74.22 C ATOM 440 CG GLU A 29 -4.541 -15.640 -4.751 1.00 52.14 C ATOM 441 CD GLU A 29 -5.255 -15.998 -6.032 1.00 62.33 C ATOM 442 OE1 GLU A 29 -4.987 -17.092 -6.571 1.00 75.22 O ATOM 443 OE2 GLU A 29 -6.080 -15.195 -6.511 1.00 23.44 O ATOM 0 H GLU A 29 -5.619 -14.123 -3.040 1.00 60.52 H new ATOM 0 HA GLU A 29 -7.189 -16.207 -3.938 1.00 73.50 H new ATOM 0 HB2 GLU A 29 -4.395 -16.264 -2.710 1.00 74.22 H new ATOM 0 HB3 GLU A 29 -5.058 -17.478 -3.786 1.00 74.22 H new ATOM 0 HG2 GLU A 29 -4.648 -14.571 -4.566 1.00 52.14 H new ATOM 0 HG3 GLU A 29 -3.475 -15.838 -4.865 1.00 52.14 H new ATOM 450 N HIS A 30 -6.553 -16.433 -0.721 1.00 71.11 N ATOM 451 CA HIS A 30 -6.913 -17.168 0.491 1.00 52.33 C ATOM 452 C HIS A 30 -8.419 -17.118 0.731 1.00 61.44 C ATOM 453 O HIS A 30 -9.031 -18.119 1.110 1.00 23.52 O ATOM 454 CB HIS A 30 -6.168 -16.607 1.704 1.00 4.22 C ATOM 455 CG HIS A 30 -6.258 -17.469 2.934 1.00 73.22 C ATOM 456 ND1 HIS A 30 -5.215 -18.242 3.384 1.00 75.35 N ATOM 457 CD2 HIS A 30 -7.269 -17.661 3.816 1.00 73.13 C ATOM 458 CE1 HIS A 30 -5.577 -18.875 4.481 1.00 41.21 C ATOM 459 NE2 HIS A 30 -6.817 -18.539 4.766 1.00 32.13 N ATOM 0 H HIS A 30 -6.010 -15.586 -0.557 1.00 71.11 H new ATOM 0 HA HIS A 30 -6.620 -18.209 0.351 1.00 52.33 H new ATOM 0 HB2 HIS A 30 -5.118 -16.475 1.443 1.00 4.22 H new ATOM 0 HB3 HIS A 30 -6.566 -15.619 1.936 1.00 4.22 H new ATOM 0 HD2 HIS A 30 -8.248 -17.207 3.777 1.00 73.13 H new ATOM 0 HE1 HIS A 30 -4.960 -19.555 5.050 1.00 41.21 H new ATOM 0 HE2 HIS A 30 -7.354 -18.877 5.564 1.00 32.13 H new ATOM 468 N LYS A 31 -9.008 -15.948 0.517 1.00 12.31 N ATOM 469 CA LYS A 31 -10.450 -15.769 0.672 1.00 21.44 C ATOM 470 C LYS A 31 -11.204 -16.677 -0.278 1.00 3.22 C ATOM 471 O LYS A 31 -12.295 -17.154 0.030 1.00 4.13 O ATOM 472 CB LYS A 31 -10.843 -14.314 0.421 1.00 45.43 C ATOM 473 CG LYS A 31 -10.437 -13.357 1.529 1.00 32.12 C ATOM 474 CD LYS A 31 -11.248 -13.584 2.795 1.00 22.41 C ATOM 475 CE LYS A 31 -12.717 -13.221 2.596 1.00 31.14 C ATOM 476 NZ LYS A 31 -12.889 -11.820 2.123 1.00 21.44 N ATOM 0 H LYS A 31 -8.509 -15.105 0.234 1.00 12.31 H new ATOM 0 HA LYS A 31 -10.715 -16.032 1.696 1.00 21.44 H new ATOM 0 HB2 LYS A 31 -10.389 -13.983 -0.513 1.00 45.43 H new ATOM 0 HB3 LYS A 31 -11.923 -14.259 0.287 1.00 45.43 H new ATOM 0 HG2 LYS A 31 -9.377 -13.484 1.749 1.00 32.12 H new ATOM 0 HG3 LYS A 31 -10.572 -12.330 1.190 1.00 32.12 H new ATOM 0 HD2 LYS A 31 -11.169 -14.629 3.096 1.00 22.41 H new ATOM 0 HD3 LYS A 31 -10.832 -12.986 3.606 1.00 22.41 H new ATOM 0 HE2 LYS A 31 -13.164 -13.904 1.874 1.00 31.14 H new ATOM 0 HE3 LYS A 31 -13.253 -13.354 3.536 1.00 31.14 H new ATOM 0 HZ1 LYS A 31 -13.869 -11.515 2.289 1.00 21.44 H new ATOM 0 HZ2 LYS A 31 -12.240 -11.196 2.643 1.00 21.44 H new ATOM 0 HZ3 LYS A 31 -12.678 -11.769 1.106 1.00 21.44 H new ATOM 490 N LYS A 32 -10.614 -16.918 -1.431 1.00 4.23 N ATOM 491 CA LYS A 32 -11.200 -17.786 -2.433 1.00 14.41 C ATOM 492 C LYS A 32 -11.108 -19.264 -2.054 1.00 11.34 C ATOM 493 O LYS A 32 -11.617 -20.126 -2.774 1.00 21.20 O ATOM 494 CB LYS A 32 -10.577 -17.530 -3.803 1.00 72.43 C ATOM 495 CG LYS A 32 -11.138 -16.298 -4.493 1.00 54.42 C ATOM 496 CD LYS A 32 -10.406 -15.992 -5.785 1.00 61.01 C ATOM 497 CE LYS A 32 -11.182 -14.998 -6.641 1.00 12.44 C ATOM 498 NZ LYS A 32 -11.581 -13.789 -5.877 1.00 51.04 N ATOM 0 H LYS A 32 -9.715 -16.518 -1.700 1.00 4.23 H new ATOM 0 HA LYS A 32 -12.261 -17.542 -2.484 1.00 14.41 H new ATOM 0 HB2 LYS A 32 -9.499 -17.416 -3.690 1.00 72.43 H new ATOM 0 HB3 LYS A 32 -10.740 -18.401 -4.438 1.00 72.43 H new ATOM 0 HG2 LYS A 32 -12.197 -16.450 -4.703 1.00 54.42 H new ATOM 0 HG3 LYS A 32 -11.065 -15.442 -3.823 1.00 54.42 H new ATOM 0 HD2 LYS A 32 -9.419 -15.588 -5.559 1.00 61.01 H new ATOM 0 HD3 LYS A 32 -10.252 -16.914 -6.345 1.00 61.01 H new ATOM 0 HE2 LYS A 32 -10.571 -14.701 -7.494 1.00 12.44 H new ATOM 0 HE3 LYS A 32 -12.073 -15.483 -7.040 1.00 12.44 H new ATOM 0 HZ1 LYS A 32 -11.969 -13.078 -6.530 1.00 51.04 H new ATOM 0 HZ2 LYS A 32 -12.304 -14.045 -5.174 1.00 51.04 H new ATOM 0 HZ3 LYS A 32 -10.750 -13.395 -5.391 1.00 51.04 H new ATOM 512 N LYS A 33 -10.469 -19.568 -0.923 1.00 30.20 N ATOM 513 CA LYS A 33 -10.350 -20.924 -0.409 1.00 30.32 C ATOM 514 C LYS A 33 -11.095 -21.041 0.916 1.00 11.25 C ATOM 515 O LYS A 33 -11.771 -22.034 1.188 1.00 34.12 O ATOM 516 CB LYS A 33 -8.877 -21.293 -0.211 1.00 63.21 C ATOM 517 CG LYS A 33 -8.068 -21.365 -1.498 1.00 13.45 C ATOM 518 CD LYS A 33 -8.495 -22.539 -2.376 1.00 13.41 C ATOM 519 CE LYS A 33 -8.161 -23.880 -1.729 1.00 25.41 C ATOM 520 NZ LYS A 33 -6.703 -24.035 -1.478 1.00 43.01 N ATOM 0 H LYS A 33 -10.016 -18.868 -0.335 1.00 30.20 H new ATOM 0 HA LYS A 33 -10.789 -21.612 -1.132 1.00 30.32 H new ATOM 0 HB2 LYS A 33 -8.417 -20.560 0.452 1.00 63.21 H new ATOM 0 HB3 LYS A 33 -8.821 -22.258 0.293 1.00 63.21 H new ATOM 0 HG2 LYS A 33 -8.187 -20.435 -2.053 1.00 13.45 H new ATOM 0 HG3 LYS A 33 -7.009 -21.459 -1.256 1.00 13.45 H new ATOM 0 HD2 LYS A 33 -9.567 -22.482 -2.563 1.00 13.41 H new ATOM 0 HD3 LYS A 33 -7.999 -22.469 -3.344 1.00 13.41 H new ATOM 0 HE2 LYS A 33 -8.702 -23.972 -0.787 1.00 25.41 H new ATOM 0 HE3 LYS A 33 -8.505 -24.688 -2.374 1.00 25.41 H new ATOM 0 HZ1 LYS A 33 -6.486 -25.036 -1.298 1.00 43.01 H new ATOM 0 HZ2 LYS A 33 -6.171 -23.710 -2.310 1.00 43.01 H new ATOM 0 HZ3 LYS A 33 -6.431 -23.467 -0.650 1.00 43.01 H new ATOM 534 N HIS A 34 -10.965 -20.003 1.733 1.00 1.11 N ATOM 535 CA HIS A 34 -11.568 -19.951 3.060 1.00 64.21 C ATOM 536 C HIS A 34 -12.171 -18.567 3.284 1.00 73.12 C ATOM 537 O HIS A 34 -11.476 -17.644 3.713 1.00 13.23 O ATOM 538 CB HIS A 34 -10.519 -20.229 4.153 1.00 70.41 C ATOM 539 CG HIS A 34 -9.878 -21.585 4.087 1.00 21.30 C ATOM 540 ND1 HIS A 34 -10.321 -22.666 4.813 1.00 4.35 N ATOM 541 CD2 HIS A 34 -8.805 -22.024 3.390 1.00 34.04 C ATOM 542 CE1 HIS A 34 -9.550 -23.707 4.567 1.00 54.24 C ATOM 543 NE2 HIS A 34 -8.624 -23.344 3.707 1.00 4.31 N ATOM 0 H HIS A 34 -10.434 -19.166 1.492 1.00 1.11 H new ATOM 0 HA HIS A 34 -12.342 -20.716 3.119 1.00 64.21 H new ATOM 0 HB2 HIS A 34 -9.738 -19.471 4.087 1.00 70.41 H new ATOM 0 HB3 HIS A 34 -10.993 -20.115 5.128 1.00 70.41 H new ATOM 0 HD2 HIS A 34 -8.202 -21.441 2.709 1.00 34.04 H new ATOM 0 HE1 HIS A 34 -9.660 -24.691 4.999 1.00 54.24 H new ATOM 0 HE2 HIS A 34 -7.890 -23.947 3.336 1.00 4.31 H new ATOM 552 N PRO A 35 -13.457 -18.390 2.964 1.00 20.32 N ATOM 553 CA PRO A 35 -14.121 -17.102 3.063 1.00 12.20 C ATOM 554 C PRO A 35 -14.866 -16.865 4.387 1.00 34.41 C ATOM 555 O PRO A 35 -15.219 -15.722 4.701 1.00 12.51 O ATOM 556 CB PRO A 35 -15.117 -17.177 1.912 1.00 44.42 C ATOM 557 CG PRO A 35 -15.506 -18.627 1.836 1.00 2.22 C ATOM 558 CD PRO A 35 -14.363 -19.427 2.435 1.00 21.21 C ATOM 0 HA PRO A 35 -13.406 -16.281 3.023 1.00 12.20 H new ATOM 0 HB2 PRO A 35 -15.985 -16.544 2.098 1.00 44.42 H new ATOM 0 HB3 PRO A 35 -14.669 -16.838 0.978 1.00 44.42 H new ATOM 0 HG2 PRO A 35 -16.431 -18.807 2.384 1.00 2.22 H new ATOM 0 HG3 PRO A 35 -15.685 -18.924 0.803 1.00 2.22 H new ATOM 0 HD2 PRO A 35 -14.711 -20.096 3.222 1.00 21.21 H new ATOM 0 HD3 PRO A 35 -13.870 -20.046 1.685 1.00 21.21 H new ATOM 566 N ASP A 36 -15.095 -17.923 5.165 1.00 44.24 N ATOM 567 CA ASP A 36 -15.902 -17.821 6.389 1.00 1.21 C ATOM 568 C ASP A 36 -15.266 -16.930 7.447 1.00 72.22 C ATOM 569 O ASP A 36 -15.959 -16.146 8.102 1.00 24.21 O ATOM 570 CB ASP A 36 -16.132 -19.214 6.983 1.00 31.41 C ATOM 571 CG ASP A 36 -16.783 -20.168 6.011 1.00 3.53 C ATOM 572 OD1 ASP A 36 -16.061 -20.752 5.172 1.00 65.41 O ATOM 573 OD2 ASP A 36 -18.015 -20.348 6.080 1.00 71.11 O ATOM 0 H ASP A 36 -14.736 -18.859 4.974 1.00 44.24 H new ATOM 0 HA ASP A 36 -16.849 -17.365 6.099 1.00 1.21 H new ATOM 0 HB2 ASP A 36 -15.177 -19.628 7.306 1.00 31.41 H new ATOM 0 HB3 ASP A 36 -16.757 -19.126 7.871 1.00 31.41 H new ATOM 578 N ALA A 37 -13.960 -17.031 7.608 1.00 34.01 N ATOM 579 CA ALA A 37 -13.266 -16.254 8.622 1.00 2.34 C ATOM 580 C ALA A 37 -13.019 -14.834 8.157 1.00 53.21 C ATOM 581 O ALA A 37 -13.424 -13.879 8.824 1.00 5.44 O ATOM 582 CB ALA A 37 -11.952 -16.920 9.002 1.00 53.43 C ATOM 0 H ALA A 37 -13.359 -17.640 7.053 1.00 34.01 H new ATOM 0 HA ALA A 37 -13.907 -16.214 9.503 1.00 2.34 H new ATOM 0 HB1 ALA A 37 -11.448 -16.323 9.762 1.00 53.43 H new ATOM 0 HB2 ALA A 37 -12.150 -17.917 9.396 1.00 53.43 H new ATOM 0 HB3 ALA A 37 -11.315 -16.998 8.121 1.00 53.43 H new ATOM 588 N SER A 38 -12.369 -14.718 6.997 1.00 31.42 N ATOM 589 CA SER A 38 -11.986 -13.420 6.435 1.00 53.20 C ATOM 590 C SER A 38 -10.840 -12.803 7.248 1.00 53.02 C ATOM 591 O SER A 38 -10.825 -12.871 8.479 1.00 23.33 O ATOM 592 CB SER A 38 -13.191 -12.472 6.352 1.00 63.24 C ATOM 593 OG SER A 38 -14.251 -13.069 5.609 1.00 10.03 O ATOM 0 H SER A 38 -12.094 -15.516 6.423 1.00 31.42 H new ATOM 0 HA SER A 38 -11.631 -13.578 5.417 1.00 53.20 H new ATOM 0 HB2 SER A 38 -13.537 -12.227 7.356 1.00 63.24 H new ATOM 0 HB3 SER A 38 -12.892 -11.536 5.881 1.00 63.24 H new ATOM 0 HG SER A 38 -15.010 -12.451 5.568 1.00 10.03 H new ATOM 599 N VAL A 39 -9.888 -12.206 6.562 1.00 32.21 N ATOM 600 CA VAL A 39 -8.707 -11.669 7.221 1.00 74.25 C ATOM 601 C VAL A 39 -8.335 -10.304 6.661 1.00 13.42 C ATOM 602 O VAL A 39 -8.124 -10.151 5.454 1.00 71.13 O ATOM 603 CB VAL A 39 -7.501 -12.630 7.073 1.00 44.11 C ATOM 604 CG1 VAL A 39 -7.661 -13.839 7.983 1.00 61.25 C ATOM 605 CG2 VAL A 39 -7.354 -13.081 5.623 1.00 72.12 C ATOM 0 H VAL A 39 -9.905 -12.078 5.550 1.00 32.21 H new ATOM 0 HA VAL A 39 -8.951 -11.563 8.278 1.00 74.25 H new ATOM 0 HB VAL A 39 -6.600 -12.092 7.367 1.00 44.11 H new ATOM 0 HG11 VAL A 39 -6.803 -14.501 7.863 1.00 61.25 H new ATOM 0 HG12 VAL A 39 -7.722 -13.508 9.020 1.00 61.25 H new ATOM 0 HG13 VAL A 39 -8.572 -14.375 7.719 1.00 61.25 H new ATOM 0 HG21 VAL A 39 -6.502 -13.756 5.536 1.00 72.12 H new ATOM 0 HG22 VAL A 39 -8.260 -13.599 5.309 1.00 72.12 H new ATOM 0 HG23 VAL A 39 -7.194 -12.211 4.986 1.00 72.12 H new ATOM 615 N ASN A 40 -8.314 -9.303 7.527 1.00 25.54 N ATOM 616 CA ASN A 40 -7.928 -7.964 7.103 1.00 75.11 C ATOM 617 C ASN A 40 -6.408 -7.839 6.858 1.00 3.03 C ATOM 618 O ASN A 40 -5.683 -8.839 6.808 1.00 30.42 O ATOM 619 CB ASN A 40 -8.481 -6.850 8.039 1.00 31.52 C ATOM 620 CG ASN A 40 -8.130 -7.001 9.504 1.00 52.32 C ATOM 621 OD1 ASN A 40 -8.823 -7.691 10.251 1.00 35.30 O ATOM 622 ND2 ASN A 40 -7.098 -6.312 9.940 1.00 42.15 N ATOM 0 H ASN A 40 -8.556 -9.388 8.514 1.00 25.54 H new ATOM 0 HA ASN A 40 -8.407 -7.803 6.137 1.00 75.11 H new ATOM 0 HB2 ASN A 40 -8.107 -5.887 7.690 1.00 31.52 H new ATOM 0 HB3 ASN A 40 -9.566 -6.824 7.943 1.00 31.52 H new ATOM 0 HD21 ASN A 40 -6.848 -6.338 10.929 1.00 42.15 H new ATOM 0 HD22 ASN A 40 -6.547 -5.751 9.290 1.00 42.15 H new ATOM 629 N PHE A 41 -5.954 -6.611 6.707 1.00 23.45 N ATOM 630 CA PHE A 41 -4.574 -6.345 6.290 1.00 72.52 C ATOM 631 C PHE A 41 -3.535 -6.812 7.328 1.00 25.05 C ATOM 632 O PHE A 41 -2.600 -7.532 6.990 1.00 1.23 O ATOM 633 CB PHE A 41 -4.388 -4.856 5.975 1.00 33.25 C ATOM 634 CG PHE A 41 -3.153 -4.551 5.169 1.00 21.05 C ATOM 635 CD1 PHE A 41 -3.186 -4.605 3.785 1.00 24.12 C ATOM 636 CD2 PHE A 41 -1.965 -4.208 5.792 1.00 60.15 C ATOM 637 CE1 PHE A 41 -2.058 -4.323 3.037 1.00 65.23 C ATOM 638 CE2 PHE A 41 -0.833 -3.926 5.049 1.00 64.14 C ATOM 639 CZ PHE A 41 -0.880 -3.983 3.670 1.00 71.32 C ATOM 0 H PHE A 41 -6.515 -5.774 6.865 1.00 23.45 H new ATOM 0 HA PHE A 41 -4.399 -6.929 5.387 1.00 72.52 H new ATOM 0 HB2 PHE A 41 -5.262 -4.498 5.431 1.00 33.25 H new ATOM 0 HB3 PHE A 41 -4.345 -4.299 6.911 1.00 33.25 H new ATOM 0 HD1 PHE A 41 -4.105 -4.871 3.284 1.00 24.12 H new ATOM 0 HD2 PHE A 41 -1.922 -4.160 6.870 1.00 60.15 H new ATOM 0 HE1 PHE A 41 -2.099 -4.369 1.959 1.00 65.23 H new ATOM 0 HE2 PHE A 41 0.088 -3.661 5.547 1.00 64.14 H new ATOM 0 HZ PHE A 41 0.003 -3.762 3.089 1.00 71.32 H new ATOM 649 N SER A 42 -3.721 -6.406 8.576 1.00 11.12 N ATOM 650 CA SER A 42 -2.777 -6.696 9.664 1.00 12.53 C ATOM 651 C SER A 42 -2.377 -8.186 9.781 1.00 3.33 C ATOM 652 O SER A 42 -1.210 -8.534 9.578 1.00 30.33 O ATOM 653 CB SER A 42 -3.355 -6.209 10.986 1.00 73.24 C ATOM 654 OG SER A 42 -3.758 -4.846 10.901 1.00 61.50 O ATOM 0 H SER A 42 -4.533 -5.863 8.871 1.00 11.12 H new ATOM 0 HA SER A 42 -1.860 -6.160 9.420 1.00 12.53 H new ATOM 0 HB2 SER A 42 -4.209 -6.827 11.262 1.00 73.24 H new ATOM 0 HB3 SER A 42 -2.611 -6.323 11.775 1.00 73.24 H new ATOM 0 HG SER A 42 -4.127 -4.560 11.763 1.00 61.50 H new ATOM 660 N GLU A 43 -3.338 -9.043 10.123 1.00 72.11 N ATOM 661 CA GLU A 43 -3.055 -10.467 10.356 1.00 0.34 C ATOM 662 C GLU A 43 -2.322 -11.135 9.196 1.00 45.33 C ATOM 663 O GLU A 43 -1.392 -11.920 9.411 1.00 0.41 O ATOM 664 CB GLU A 43 -4.320 -11.263 10.709 1.00 52.54 C ATOM 665 CG GLU A 43 -5.440 -11.159 9.696 1.00 10.32 C ATOM 666 CD GLU A 43 -6.410 -10.070 10.043 1.00 75.34 C ATOM 667 OE1 GLU A 43 -5.972 -8.920 10.207 1.00 33.24 O ATOM 668 OE2 GLU A 43 -7.614 -10.368 10.188 1.00 14.53 O ATOM 0 H GLU A 43 -4.316 -8.782 10.246 1.00 72.11 H new ATOM 0 HA GLU A 43 -2.386 -10.482 11.216 1.00 0.34 H new ATOM 0 HB2 GLU A 43 -4.051 -12.313 10.825 1.00 52.54 H new ATOM 0 HB3 GLU A 43 -4.690 -10.920 11.675 1.00 52.54 H new ATOM 0 HG2 GLU A 43 -5.019 -10.969 8.708 1.00 10.32 H new ATOM 0 HG3 GLU A 43 -5.968 -12.111 9.640 1.00 10.32 H new ATOM 675 N PHE A 44 -2.711 -10.823 7.983 1.00 63.30 N ATOM 676 CA PHE A 44 -2.100 -11.447 6.831 1.00 65.04 C ATOM 677 C PHE A 44 -0.785 -10.802 6.457 1.00 21.24 C ATOM 678 O PHE A 44 0.039 -11.417 5.785 1.00 4.42 O ATOM 679 CB PHE A 44 -3.059 -11.499 5.654 1.00 32.50 C ATOM 680 CG PHE A 44 -3.633 -12.870 5.456 1.00 32.34 C ATOM 681 CD1 PHE A 44 -3.893 -13.688 6.545 1.00 64.35 C ATOM 682 CD2 PHE A 44 -3.897 -13.348 4.188 1.00 51.41 C ATOM 683 CE1 PHE A 44 -4.404 -14.954 6.371 1.00 74.52 C ATOM 684 CE2 PHE A 44 -4.410 -14.612 4.008 1.00 32.24 C ATOM 685 CZ PHE A 44 -4.662 -15.418 5.101 1.00 63.14 C ATOM 0 H PHE A 44 -3.443 -10.146 7.767 1.00 63.30 H new ATOM 0 HA PHE A 44 -1.870 -12.475 7.112 1.00 65.04 H new ATOM 0 HB2 PHE A 44 -3.869 -10.787 5.814 1.00 32.50 H new ATOM 0 HB3 PHE A 44 -2.538 -11.190 4.748 1.00 32.50 H new ATOM 0 HD1 PHE A 44 -3.692 -13.327 7.543 1.00 64.35 H new ATOM 0 HD2 PHE A 44 -3.699 -12.724 3.329 1.00 51.41 H new ATOM 0 HE1 PHE A 44 -4.602 -15.581 7.228 1.00 74.52 H new ATOM 0 HE2 PHE A 44 -4.616 -14.974 3.012 1.00 32.24 H new ATOM 0 HZ PHE A 44 -5.061 -16.411 4.959 1.00 63.14 H new ATOM 695 N SER A 45 -0.572 -9.581 6.912 1.00 21.34 N ATOM 696 CA SER A 45 0.674 -8.888 6.655 1.00 75.12 C ATOM 697 C SER A 45 1.833 -9.666 7.274 1.00 35.31 C ATOM 698 O SER A 45 2.938 -9.711 6.724 1.00 54.43 O ATOM 699 CB SER A 45 0.621 -7.459 7.220 1.00 40.43 C ATOM 700 OG SER A 45 1.797 -6.727 6.908 1.00 33.34 O ATOM 0 H SER A 45 -1.247 -9.050 7.462 1.00 21.34 H new ATOM 0 HA SER A 45 0.828 -8.822 5.578 1.00 75.12 H new ATOM 0 HB2 SER A 45 -0.248 -6.940 6.816 1.00 40.43 H new ATOM 0 HB3 SER A 45 0.494 -7.500 8.302 1.00 40.43 H new ATOM 0 HG SER A 45 1.728 -5.823 7.281 1.00 33.34 H new ATOM 706 N LYS A 46 1.568 -10.307 8.410 1.00 12.44 N ATOM 707 CA LYS A 46 2.587 -11.079 9.085 1.00 21.43 C ATOM 708 C LYS A 46 2.509 -12.573 8.742 1.00 52.51 C ATOM 709 O LYS A 46 3.527 -13.260 8.748 1.00 62.12 O ATOM 710 CB LYS A 46 2.572 -10.827 10.612 1.00 71.32 C ATOM 711 CG LYS A 46 1.241 -11.087 11.322 1.00 23.11 C ATOM 712 CD LYS A 46 1.020 -12.568 11.606 1.00 33.21 C ATOM 713 CE LYS A 46 -0.131 -12.784 12.577 1.00 11.13 C ATOM 714 NZ LYS A 46 0.179 -12.246 13.929 1.00 12.30 N ATOM 0 H LYS A 46 0.659 -10.302 8.874 1.00 12.44 H new ATOM 0 HA LYS A 46 3.550 -10.731 8.712 1.00 21.43 H new ATOM 0 HB2 LYS A 46 3.335 -11.455 11.071 1.00 71.32 H new ATOM 0 HB3 LYS A 46 2.861 -9.792 10.792 1.00 71.32 H new ATOM 0 HG2 LYS A 46 1.217 -10.531 12.259 1.00 23.11 H new ATOM 0 HG3 LYS A 46 0.423 -10.711 10.707 1.00 23.11 H new ATOM 0 HD2 LYS A 46 0.813 -13.092 10.673 1.00 33.21 H new ATOM 0 HD3 LYS A 46 1.932 -13.000 12.019 1.00 33.21 H new ATOM 0 HE2 LYS A 46 -1.028 -12.301 12.190 1.00 11.13 H new ATOM 0 HE3 LYS A 46 -0.349 -13.849 12.651 1.00 11.13 H new ATOM 0 HZ1 LYS A 46 -0.457 -12.678 14.629 1.00 12.30 H new ATOM 0 HZ2 LYS A 46 1.165 -12.469 14.174 1.00 12.30 H new ATOM 0 HZ3 LYS A 46 0.046 -11.215 13.931 1.00 12.30 H new ATOM 728 N LYS A 47 1.313 -13.080 8.436 1.00 42.34 N ATOM 729 CA LYS A 47 1.160 -14.499 8.083 1.00 51.22 C ATOM 730 C LYS A 47 1.711 -14.779 6.681 1.00 22.43 C ATOM 731 O LYS A 47 2.381 -15.765 6.458 1.00 15.03 O ATOM 732 CB LYS A 47 -0.320 -14.917 8.168 1.00 5.12 C ATOM 733 CG LYS A 47 -0.602 -16.378 7.789 1.00 41.12 C ATOM 734 CD LYS A 47 -0.448 -17.347 8.971 1.00 32.22 C ATOM 735 CE LYS A 47 0.986 -17.437 9.479 1.00 0.41 C ATOM 736 NZ LYS A 47 1.146 -18.508 10.495 1.00 55.25 N ATOM 0 H LYS A 47 0.447 -12.542 8.424 1.00 42.34 H new ATOM 0 HA LYS A 47 1.734 -15.089 8.798 1.00 51.22 H new ATOM 0 HB2 LYS A 47 -0.673 -14.746 9.185 1.00 5.12 H new ATOM 0 HB3 LYS A 47 -0.904 -14.268 7.515 1.00 5.12 H new ATOM 0 HG2 LYS A 47 -1.614 -16.456 7.393 1.00 41.12 H new ATOM 0 HG3 LYS A 47 0.077 -16.678 6.990 1.00 41.12 H new ATOM 0 HD2 LYS A 47 -1.097 -17.025 9.785 1.00 32.22 H new ATOM 0 HD3 LYS A 47 -0.784 -18.339 8.668 1.00 32.22 H new ATOM 0 HE2 LYS A 47 1.657 -17.628 8.641 1.00 0.41 H new ATOM 0 HE3 LYS A 47 1.279 -16.480 9.911 1.00 0.41 H new ATOM 0 HZ1 LYS A 47 2.135 -18.537 10.816 1.00 55.25 H new ATOM 0 HZ2 LYS A 47 0.525 -18.313 11.306 1.00 55.25 H new ATOM 0 HZ3 LYS A 47 0.891 -19.425 10.076 1.00 55.25 H new ATOM 750 N CYS A 48 1.427 -13.890 5.768 1.00 35.02 N ATOM 751 CA CYS A 48 1.907 -14.064 4.395 1.00 74.24 C ATOM 752 C CYS A 48 3.401 -13.785 4.234 1.00 0.43 C ATOM 753 O CYS A 48 4.032 -14.311 3.315 1.00 24.11 O ATOM 754 CB CYS A 48 1.075 -13.230 3.429 1.00 53.30 C ATOM 755 SG CYS A 48 -0.707 -13.607 3.515 1.00 73.50 S ATOM 0 H CYS A 48 0.876 -13.047 5.930 1.00 35.02 H new ATOM 0 HA CYS A 48 1.778 -15.118 4.149 1.00 74.24 H new ATOM 0 HB2 CYS A 48 1.228 -12.173 3.646 1.00 53.30 H new ATOM 0 HB3 CYS A 48 1.428 -13.401 2.412 1.00 53.30 H new ATOM 760 N SER A 49 3.966 -12.982 5.125 1.00 71.22 N ATOM 761 CA SER A 49 5.394 -12.635 5.050 1.00 65.11 C ATOM 762 C SER A 49 6.297 -13.889 5.003 1.00 72.25 C ATOM 763 O SER A 49 7.397 -13.847 4.443 1.00 24.51 O ATOM 764 CB SER A 49 5.794 -11.739 6.224 1.00 20.52 C ATOM 765 OG SER A 49 5.670 -12.419 7.462 1.00 52.41 O ATOM 0 H SER A 49 3.468 -12.557 5.907 1.00 71.22 H new ATOM 0 HA SER A 49 5.542 -12.089 4.118 1.00 65.11 H new ATOM 0 HB2 SER A 49 6.823 -11.404 6.093 1.00 20.52 H new ATOM 0 HB3 SER A 49 5.167 -10.847 6.233 1.00 20.52 H new ATOM 0 HG SER A 49 4.758 -12.766 7.555 1.00 52.41 H new ATOM 771 N GLU A 50 5.825 -14.999 5.593 1.00 44.14 N ATOM 772 CA GLU A 50 6.582 -16.257 5.600 1.00 2.13 C ATOM 773 C GLU A 50 6.808 -16.772 4.182 1.00 60.43 C ATOM 774 O GLU A 50 7.843 -17.372 3.890 1.00 43.33 O ATOM 775 CB GLU A 50 5.856 -17.329 6.431 1.00 34.03 C ATOM 776 CG GLU A 50 4.481 -17.698 5.896 1.00 3.45 C ATOM 777 CD GLU A 50 3.801 -18.794 6.688 1.00 43.12 C ATOM 778 OE1 GLU A 50 3.582 -18.616 7.908 1.00 54.11 O ATOM 779 OE2 GLU A 50 3.473 -19.844 6.092 1.00 34.34 O ATOM 0 H GLU A 50 4.925 -15.049 6.070 1.00 44.14 H new ATOM 0 HA GLU A 50 7.551 -16.052 6.055 1.00 2.13 H new ATOM 0 HB2 GLU A 50 6.474 -18.226 6.467 1.00 34.03 H new ATOM 0 HB3 GLU A 50 5.752 -16.972 7.456 1.00 34.03 H new ATOM 0 HG2 GLU A 50 3.848 -16.811 5.900 1.00 3.45 H new ATOM 0 HG3 GLU A 50 4.577 -18.016 4.858 1.00 3.45 H new ATOM 786 N ARG A 51 5.849 -16.519 3.304 1.00 32.34 N ATOM 787 CA ARG A 51 5.939 -16.994 1.943 1.00 13.42 C ATOM 788 C ARG A 51 6.756 -16.039 1.097 1.00 15.31 C ATOM 789 O ARG A 51 7.530 -16.466 0.255 1.00 3.11 O ATOM 790 CB ARG A 51 4.547 -17.206 1.327 1.00 23.44 C ATOM 791 CG ARG A 51 4.597 -17.669 -0.124 1.00 62.21 C ATOM 792 CD ARG A 51 3.219 -18.010 -0.668 1.00 2.05 C ATOM 793 NE ARG A 51 3.276 -18.349 -2.094 1.00 23.03 N ATOM 794 CZ ARG A 51 2.303 -18.970 -2.770 1.00 63.21 C ATOM 795 NH1 ARG A 51 1.201 -19.370 -2.148 1.00 73.23 N ATOM 796 NH2 ARG A 51 2.443 -19.197 -4.070 1.00 41.13 N ATOM 0 H ARG A 51 5.004 -15.988 3.515 1.00 32.34 H new ATOM 0 HA ARG A 51 6.443 -17.960 1.963 1.00 13.42 H new ATOM 0 HB2 ARG A 51 4.004 -17.943 1.918 1.00 23.44 H new ATOM 0 HB3 ARG A 51 3.985 -16.274 1.385 1.00 23.44 H new ATOM 0 HG2 ARG A 51 5.044 -16.887 -0.738 1.00 62.21 H new ATOM 0 HG3 ARG A 51 5.243 -18.544 -0.202 1.00 62.21 H new ATOM 0 HD2 ARG A 51 2.803 -18.848 -0.109 1.00 2.05 H new ATOM 0 HD3 ARG A 51 2.548 -17.164 -0.520 1.00 2.05 H new ATOM 0 HE ARG A 51 4.119 -18.092 -2.608 1.00 23.03 H new ATOM 0 HH11 ARG A 51 1.091 -19.205 -1.147 1.00 73.23 H new ATOM 0 HH12 ARG A 51 0.464 -19.843 -2.670 1.00 73.23 H new ATOM 0 HH21 ARG A 51 3.291 -18.898 -4.551 1.00 41.13 H new ATOM 0 HH22 ARG A 51 1.703 -19.670 -4.588 1.00 41.13 H new ATOM 810 N TRP A 52 6.575 -14.755 1.314 1.00 64.24 N ATOM 811 CA TRP A 52 7.303 -13.707 0.588 1.00 55.52 C ATOM 812 C TRP A 52 8.820 -13.953 0.661 1.00 33.15 C ATOM 813 O TRP A 52 9.556 -13.671 -0.286 1.00 55.23 O ATOM 814 CB TRP A 52 6.954 -12.327 1.175 1.00 55.42 C ATOM 815 CG TRP A 52 7.672 -11.176 0.525 1.00 41.53 C ATOM 816 CD1 TRP A 52 8.765 -10.516 1.008 1.00 25.13 C ATOM 817 CD2 TRP A 52 7.345 -10.548 -0.724 1.00 31.34 C ATOM 818 NE1 TRP A 52 9.137 -9.521 0.140 1.00 53.33 N ATOM 819 CE2 TRP A 52 8.282 -9.519 -0.929 1.00 54.23 C ATOM 820 CE3 TRP A 52 6.354 -10.757 -1.685 1.00 13.44 C ATOM 821 CZ2 TRP A 52 8.257 -8.702 -2.057 1.00 61.32 C ATOM 822 CZ3 TRP A 52 6.329 -9.944 -2.803 1.00 5.23 C ATOM 823 CH2 TRP A 52 7.275 -8.928 -2.981 1.00 65.43 C ATOM 0 H TRP A 52 5.915 -14.393 2.003 1.00 64.24 H new ATOM 0 HA TRP A 52 7.004 -13.733 -0.460 1.00 55.52 H new ATOM 0 HB2 TRP A 52 5.880 -12.168 1.083 1.00 55.42 H new ATOM 0 HB3 TRP A 52 7.186 -12.329 2.240 1.00 55.42 H new ATOM 0 HD1 TRP A 52 9.264 -10.744 1.938 1.00 25.13 H new ATOM 0 HE1 TRP A 52 9.924 -8.885 0.270 1.00 53.33 H new ATOM 0 HE3 TRP A 52 5.620 -11.539 -1.557 1.00 13.44 H new ATOM 0 HZ2 TRP A 52 8.987 -7.918 -2.197 1.00 61.32 H new ATOM 0 HZ3 TRP A 52 5.566 -10.096 -3.552 1.00 5.23 H new ATOM 0 HH2 TRP A 52 7.228 -8.310 -3.866 1.00 65.43 H new ATOM 834 N LYS A 53 9.269 -14.499 1.788 1.00 10.54 N ATOM 835 CA LYS A 53 10.681 -14.814 1.988 1.00 33.52 C ATOM 836 C LYS A 53 11.141 -15.940 1.051 1.00 10.44 C ATOM 837 O LYS A 53 12.275 -15.935 0.566 1.00 4.43 O ATOM 838 CB LYS A 53 10.941 -15.218 3.445 1.00 55.43 C ATOM 839 CG LYS A 53 10.725 -14.101 4.456 1.00 42.03 C ATOM 840 CD LYS A 53 10.951 -14.599 5.879 1.00 14.40 C ATOM 841 CE LYS A 53 10.862 -13.468 6.899 1.00 31.23 C ATOM 842 NZ LYS A 53 9.530 -12.813 6.899 1.00 41.42 N ATOM 0 H LYS A 53 8.672 -14.734 2.581 1.00 10.54 H new ATOM 0 HA LYS A 53 11.253 -13.916 1.755 1.00 33.52 H new ATOM 0 HB2 LYS A 53 10.288 -16.053 3.700 1.00 55.43 H new ATOM 0 HB3 LYS A 53 11.967 -15.577 3.532 1.00 55.43 H new ATOM 0 HG2 LYS A 53 11.406 -13.277 4.243 1.00 42.03 H new ATOM 0 HG3 LYS A 53 9.712 -13.710 4.360 1.00 42.03 H new ATOM 0 HD2 LYS A 53 10.211 -15.362 6.118 1.00 14.40 H new ATOM 0 HD3 LYS A 53 11.930 -15.072 5.947 1.00 14.40 H new ATOM 0 HE2 LYS A 53 11.071 -13.862 7.894 1.00 31.23 H new ATOM 0 HE3 LYS A 53 11.630 -12.725 6.682 1.00 31.23 H new ATOM 0 HZ1 LYS A 53 9.483 -12.121 7.674 1.00 41.42 H new ATOM 0 HZ2 LYS A 53 9.382 -12.326 5.992 1.00 41.42 H new ATOM 0 HZ3 LYS A 53 8.790 -13.532 7.031 1.00 41.42 H new ATOM 856 N THR A 54 10.256 -16.891 0.789 1.00 33.00 N ATOM 857 CA THR A 54 10.584 -18.023 -0.057 1.00 42.03 C ATOM 858 C THR A 54 10.208 -17.763 -1.518 1.00 63.43 C ATOM 859 O THR A 54 10.536 -18.555 -2.404 1.00 75.51 O ATOM 860 CB THR A 54 9.900 -19.320 0.444 1.00 51.11 C ATOM 861 OG1 THR A 54 8.498 -19.092 0.668 1.00 35.33 O ATOM 862 CG2 THR A 54 10.544 -19.801 1.737 1.00 4.41 C ATOM 0 H THR A 54 9.303 -16.898 1.153 1.00 33.00 H new ATOM 0 HA THR A 54 11.664 -18.157 -0.000 1.00 42.03 H new ATOM 0 HB THR A 54 10.024 -20.085 -0.323 1.00 51.11 H new ATOM 0 HG1 THR A 54 8.256 -18.199 0.344 1.00 35.33 H new ATOM 0 HG21 THR A 54 10.050 -20.713 2.072 1.00 4.41 H new ATOM 0 HG22 THR A 54 11.601 -20.004 1.564 1.00 4.41 H new ATOM 0 HG23 THR A 54 10.443 -19.031 2.502 1.00 4.41 H new ATOM 870 N MET A 55 9.532 -16.646 -1.766 1.00 73.42 N ATOM 871 CA MET A 55 9.128 -16.279 -3.119 1.00 14.42 C ATOM 872 C MET A 55 10.332 -15.924 -3.967 1.00 22.01 C ATOM 873 O MET A 55 11.190 -15.139 -3.554 1.00 53.12 O ATOM 874 CB MET A 55 8.141 -15.116 -3.103 1.00 12.42 C ATOM 875 CG MET A 55 6.759 -15.493 -2.609 1.00 3.24 C ATOM 876 SD MET A 55 5.645 -14.085 -2.515 1.00 3.14 S ATOM 877 CE MET A 55 5.615 -13.553 -4.223 1.00 74.13 C ATOM 0 H MET A 55 9.252 -15.979 -1.047 1.00 73.42 H new ATOM 0 HA MET A 55 8.634 -17.146 -3.559 1.00 14.42 H new ATOM 0 HB2 MET A 55 8.539 -14.323 -2.470 1.00 12.42 H new ATOM 0 HB3 MET A 55 8.058 -14.708 -4.111 1.00 12.42 H new ATOM 0 HG2 MET A 55 6.333 -16.244 -3.274 1.00 3.24 H new ATOM 0 HG3 MET A 55 6.843 -15.951 -1.623 1.00 3.24 H new ATOM 0 HE1 MET A 55 6.044 -12.554 -4.301 1.00 74.13 H new ATOM 0 HE2 MET A 55 6.197 -14.246 -4.830 1.00 74.13 H new ATOM 0 HE3 MET A 55 4.585 -13.534 -4.580 1.00 74.13 H new ATOM 887 N SER A 56 10.404 -16.522 -5.133 1.00 60.11 N ATOM 888 CA SER A 56 11.496 -16.285 -6.053 1.00 55.11 C ATOM 889 C SER A 56 11.432 -14.858 -6.624 1.00 14.12 C ATOM 890 O SER A 56 10.399 -14.185 -6.531 1.00 62.45 O ATOM 891 CB SER A 56 11.456 -17.320 -7.183 1.00 52.30 C ATOM 892 OG SER A 56 12.650 -17.301 -7.945 1.00 12.51 O ATOM 0 H SER A 56 9.709 -17.187 -5.472 1.00 60.11 H new ATOM 0 HA SER A 56 12.437 -16.386 -5.512 1.00 55.11 H new ATOM 0 HB2 SER A 56 11.307 -18.314 -6.762 1.00 52.30 H new ATOM 0 HB3 SER A 56 10.605 -17.118 -7.833 1.00 52.30 H new ATOM 0 HG SER A 56 12.595 -17.973 -8.656 1.00 12.51 H new ATOM 898 N ALA A 57 12.536 -14.418 -7.227 1.00 23.42 N ATOM 899 CA ALA A 57 12.617 -13.076 -7.799 1.00 11.33 C ATOM 900 C ALA A 57 11.583 -12.890 -8.904 1.00 44.42 C ATOM 901 O ALA A 57 11.046 -11.798 -9.090 1.00 54.51 O ATOM 902 CB ALA A 57 14.017 -12.808 -8.330 1.00 30.11 C ATOM 0 H ALA A 57 13.386 -14.972 -7.332 1.00 23.42 H new ATOM 0 HA ALA A 57 12.401 -12.357 -7.009 1.00 11.33 H new ATOM 0 HB1 ALA A 57 14.060 -11.804 -8.753 1.00 30.11 H new ATOM 0 HB2 ALA A 57 14.737 -12.890 -7.516 1.00 30.11 H new ATOM 0 HB3 ALA A 57 14.259 -13.538 -9.103 1.00 30.11 H new ATOM 908 N LYS A 58 11.297 -13.969 -9.621 1.00 63.13 N ATOM 909 CA LYS A 58 10.315 -13.949 -10.696 1.00 74.23 C ATOM 910 C LYS A 58 8.916 -13.672 -10.137 1.00 70.41 C ATOM 911 O LYS A 58 8.116 -12.962 -10.751 1.00 4.21 O ATOM 912 CB LYS A 58 10.338 -15.288 -11.450 1.00 13.22 C ATOM 913 CG LYS A 58 9.335 -15.395 -12.595 1.00 62.23 C ATOM 914 CD LYS A 58 9.570 -14.329 -13.654 1.00 32.43 C ATOM 915 CE LYS A 58 8.644 -14.514 -14.849 1.00 64.25 C ATOM 916 NZ LYS A 58 7.206 -14.478 -14.464 1.00 64.13 N ATOM 0 H LYS A 58 11.737 -14.878 -9.475 1.00 63.13 H new ATOM 0 HA LYS A 58 10.569 -13.149 -11.392 1.00 74.23 H new ATOM 0 HB2 LYS A 58 11.340 -15.448 -11.848 1.00 13.22 H new ATOM 0 HB3 LYS A 58 10.145 -16.092 -10.740 1.00 13.22 H new ATOM 0 HG2 LYS A 58 9.408 -16.382 -13.051 1.00 62.23 H new ATOM 0 HG3 LYS A 58 8.323 -15.300 -12.202 1.00 62.23 H new ATOM 0 HD2 LYS A 58 9.412 -13.342 -13.219 1.00 32.43 H new ATOM 0 HD3 LYS A 58 10.607 -14.368 -13.987 1.00 32.43 H new ATOM 0 HE2 LYS A 58 8.841 -13.732 -15.582 1.00 64.25 H new ATOM 0 HE3 LYS A 58 8.864 -15.466 -15.332 1.00 64.25 H new ATOM 0 HZ1 LYS A 58 6.617 -14.472 -15.321 1.00 64.13 H new ATOM 0 HZ2 LYS A 58 6.978 -15.317 -13.894 1.00 64.13 H new ATOM 0 HZ3 LYS A 58 7.017 -13.620 -13.908 1.00 64.13 H new ATOM 930 N GLU A 59 8.651 -14.207 -8.950 1.00 22.45 N ATOM 931 CA GLU A 59 7.356 -14.050 -8.297 1.00 74.42 C ATOM 932 C GLU A 59 7.225 -12.660 -7.686 1.00 74.31 C ATOM 933 O GLU A 59 6.137 -12.224 -7.346 1.00 60.25 O ATOM 934 CB GLU A 59 7.180 -15.113 -7.215 1.00 31.41 C ATOM 935 CG GLU A 59 7.372 -16.533 -7.714 1.00 73.03 C ATOM 936 CD GLU A 59 7.141 -17.564 -6.635 1.00 43.24 C ATOM 937 OE1 GLU A 59 8.068 -17.817 -5.836 1.00 53.33 O ATOM 938 OE2 GLU A 59 6.027 -18.136 -6.581 1.00 62.11 O ATOM 0 H GLU A 59 9.323 -14.758 -8.416 1.00 22.45 H new ATOM 0 HA GLU A 59 6.576 -14.173 -9.049 1.00 74.42 H new ATOM 0 HB2 GLU A 59 7.891 -14.921 -6.411 1.00 31.41 H new ATOM 0 HB3 GLU A 59 6.182 -15.020 -6.787 1.00 31.41 H new ATOM 0 HG2 GLU A 59 6.687 -16.719 -8.542 1.00 73.03 H new ATOM 0 HG3 GLU A 59 8.383 -16.643 -8.106 1.00 73.03 H new ATOM 945 N LYS A 60 8.341 -11.972 -7.573 1.00 73.43 N ATOM 946 CA LYS A 60 8.371 -10.633 -7.006 1.00 65.02 C ATOM 947 C LYS A 60 8.348 -9.578 -8.092 1.00 41.41 C ATOM 948 O LYS A 60 7.923 -8.445 -7.860 1.00 52.01 O ATOM 949 CB LYS A 60 9.588 -10.460 -6.105 1.00 3.40 C ATOM 950 CG LYS A 60 9.538 -11.329 -4.862 1.00 34.22 C ATOM 951 CD LYS A 60 10.795 -11.192 -4.031 1.00 63.23 C ATOM 952 CE LYS A 60 10.707 -12.032 -2.771 1.00 52.12 C ATOM 953 NZ LYS A 60 11.975 -12.025 -2.012 1.00 13.51 N ATOM 0 H LYS A 60 9.253 -12.320 -7.869 1.00 73.43 H new ATOM 0 HA LYS A 60 7.475 -10.503 -6.400 1.00 65.02 H new ATOM 0 HB2 LYS A 60 10.488 -10.698 -6.671 1.00 3.40 H new ATOM 0 HB3 LYS A 60 9.666 -9.414 -5.807 1.00 3.40 H new ATOM 0 HG2 LYS A 60 8.672 -11.053 -4.260 1.00 34.22 H new ATOM 0 HG3 LYS A 60 9.406 -12.371 -5.152 1.00 34.22 H new ATOM 0 HD2 LYS A 60 11.659 -11.501 -4.619 1.00 63.23 H new ATOM 0 HD3 LYS A 60 10.948 -10.146 -3.765 1.00 63.23 H new ATOM 0 HE2 LYS A 60 9.904 -11.654 -2.139 1.00 52.12 H new ATOM 0 HE3 LYS A 60 10.449 -13.057 -3.036 1.00 52.12 H new ATOM 0 HZ1 LYS A 60 11.872 -12.611 -1.159 1.00 13.51 H new ATOM 0 HZ2 LYS A 60 12.737 -12.409 -2.606 1.00 13.51 H new ATOM 0 HZ3 LYS A 60 12.209 -11.050 -1.736 1.00 13.51 H new ATOM 967 N GLY A 61 8.787 -9.965 -9.283 1.00 24.11 N ATOM 968 CA GLY A 61 8.821 -9.051 -10.404 1.00 42.00 C ATOM 969 C GLY A 61 7.472 -8.445 -10.700 1.00 4.41 C ATOM 970 O GLY A 61 7.377 -7.268 -11.041 1.00 60.01 O ATOM 0 H GLY A 61 9.123 -10.905 -9.492 1.00 24.11 H new ATOM 0 HA2 GLY A 61 9.535 -8.254 -10.197 1.00 42.00 H new ATOM 0 HA3 GLY A 61 9.180 -9.579 -11.288 1.00 42.00 H new ATOM 974 N LYS A 62 6.422 -9.245 -10.549 1.00 11.13 N ATOM 975 CA LYS A 62 5.068 -8.778 -10.799 1.00 55.31 C ATOM 976 C LYS A 62 4.640 -7.765 -9.749 1.00 5.45 C ATOM 977 O LYS A 62 4.044 -6.742 -10.071 1.00 64.22 O ATOM 978 CB LYS A 62 4.078 -9.948 -10.827 1.00 64.44 C ATOM 979 CG LYS A 62 2.642 -9.513 -11.085 1.00 52.31 C ATOM 980 CD LYS A 62 1.673 -10.677 -11.020 1.00 32.31 C ATOM 981 CE LYS A 62 0.238 -10.193 -11.157 1.00 13.42 C ATOM 982 NZ LYS A 62 -0.735 -11.304 -11.081 1.00 3.43 N ATOM 0 H LYS A 62 6.485 -10.220 -10.255 1.00 11.13 H new ATOM 0 HA LYS A 62 5.063 -8.294 -11.776 1.00 55.31 H new ATOM 0 HB2 LYS A 62 4.381 -10.654 -11.600 1.00 64.44 H new ATOM 0 HB3 LYS A 62 4.125 -10.478 -9.876 1.00 64.44 H new ATOM 0 HG2 LYS A 62 2.354 -8.761 -10.351 1.00 52.31 H new ATOM 0 HG3 LYS A 62 2.577 -9.042 -12.066 1.00 52.31 H new ATOM 0 HD2 LYS A 62 1.899 -11.389 -11.814 1.00 32.31 H new ATOM 0 HD3 LYS A 62 1.795 -11.205 -10.074 1.00 32.31 H new ATOM 0 HE2 LYS A 62 0.023 -9.470 -10.370 1.00 13.42 H new ATOM 0 HE3 LYS A 62 0.121 -9.674 -12.108 1.00 13.42 H new ATOM 0 HZ1 LYS A 62 -1.700 -10.928 -11.179 1.00 3.43 H new ATOM 0 HZ2 LYS A 62 -0.548 -11.982 -11.847 1.00 3.43 H new ATOM 0 HZ3 LYS A 62 -0.642 -11.784 -10.163 1.00 3.43 H new ATOM 996 N PHE A 63 4.960 -8.043 -8.492 1.00 63.33 N ATOM 997 CA PHE A 63 4.578 -7.160 -7.399 1.00 12.21 C ATOM 998 C PHE A 63 5.276 -5.814 -7.504 1.00 14.13 C ATOM 999 O PHE A 63 4.769 -4.803 -7.017 1.00 22.23 O ATOM 1000 CB PHE A 63 4.839 -7.819 -6.047 1.00 3.25 C ATOM 1001 CG PHE A 63 3.910 -8.966 -5.773 1.00 54.42 C ATOM 1002 CD1 PHE A 63 2.669 -8.741 -5.211 1.00 60.14 C ATOM 1003 CD2 PHE A 63 4.270 -10.261 -6.089 1.00 72.04 C ATOM 1004 CE1 PHE A 63 1.804 -9.786 -4.967 1.00 74.35 C ATOM 1005 CE2 PHE A 63 3.407 -11.313 -5.849 1.00 75.15 C ATOM 1006 CZ PHE A 63 2.173 -11.074 -5.287 1.00 33.33 C ATOM 0 H PHE A 63 5.482 -8.871 -8.205 1.00 63.33 H new ATOM 0 HA PHE A 63 3.506 -6.977 -7.478 1.00 12.21 H new ATOM 0 HB2 PHE A 63 5.869 -8.175 -6.014 1.00 3.25 H new ATOM 0 HB3 PHE A 63 4.733 -7.074 -5.258 1.00 3.25 H new ATOM 0 HD1 PHE A 63 2.372 -7.733 -4.959 1.00 60.14 H new ATOM 0 HD2 PHE A 63 5.237 -10.454 -6.529 1.00 72.04 H new ATOM 0 HE1 PHE A 63 0.837 -9.595 -4.525 1.00 74.35 H new ATOM 0 HE2 PHE A 63 3.700 -12.321 -6.102 1.00 75.15 H new ATOM 0 HZ PHE A 63 1.496 -11.894 -5.098 1.00 33.33 H new ATOM 1016 N GLU A 64 6.436 -5.799 -8.130 1.00 25.54 N ATOM 1017 CA GLU A 64 7.132 -4.557 -8.371 1.00 42.14 C ATOM 1018 C GLU A 64 6.544 -3.882 -9.602 1.00 43.24 C ATOM 1019 O GLU A 64 6.142 -2.724 -9.547 1.00 62.41 O ATOM 1020 CB GLU A 64 8.632 -4.790 -8.532 1.00 34.03 C ATOM 1021 CG GLU A 64 9.283 -5.389 -7.296 1.00 73.20 C ATOM 1022 CD GLU A 64 10.786 -5.302 -7.330 1.00 62.51 C ATOM 1023 OE1 GLU A 64 11.334 -4.285 -6.849 1.00 32.44 O ATOM 1024 OE2 GLU A 64 11.432 -6.235 -7.832 1.00 40.31 O ATOM 0 H GLU A 64 6.913 -6.631 -8.479 1.00 25.54 H new ATOM 0 HA GLU A 64 7.000 -3.901 -7.510 1.00 42.14 H new ATOM 0 HB2 GLU A 64 8.801 -5.453 -9.381 1.00 34.03 H new ATOM 0 HB3 GLU A 64 9.117 -3.842 -8.767 1.00 34.03 H new ATOM 0 HG2 GLU A 64 8.913 -4.873 -6.410 1.00 73.20 H new ATOM 0 HG3 GLU A 64 8.986 -6.434 -7.204 1.00 73.20 H new ATOM 1031 N ASP A 65 6.548 -4.605 -10.720 1.00 22.31 N ATOM 1032 CA ASP A 65 5.901 -4.167 -11.974 1.00 1.15 C ATOM 1033 C ASP A 65 4.537 -3.491 -11.742 1.00 43.20 C ATOM 1034 O ASP A 65 4.276 -2.419 -12.285 1.00 11.11 O ATOM 1035 CB ASP A 65 5.729 -5.362 -12.915 1.00 0.12 C ATOM 1036 CG ASP A 65 4.957 -5.025 -14.175 1.00 71.14 C ATOM 1037 OD1 ASP A 65 3.716 -5.140 -14.164 1.00 34.24 O ATOM 1038 OD2 ASP A 65 5.591 -4.673 -15.191 1.00 62.31 O ATOM 0 H ASP A 65 7.000 -5.517 -10.791 1.00 22.31 H new ATOM 0 HA ASP A 65 6.556 -3.421 -12.424 1.00 1.15 H new ATOM 0 HB2 ASP A 65 6.712 -5.743 -13.190 1.00 0.12 H new ATOM 0 HB3 ASP A 65 5.214 -6.163 -12.384 1.00 0.12 H new ATOM 1043 N MET A 66 3.683 -4.110 -10.933 1.00 22.44 N ATOM 1044 CA MET A 66 2.344 -3.561 -10.669 1.00 24.10 C ATOM 1045 C MET A 66 2.409 -2.217 -9.944 1.00 75.41 C ATOM 1046 O MET A 66 1.509 -1.387 -10.075 1.00 33.24 O ATOM 1047 CB MET A 66 1.483 -4.550 -9.875 1.00 34.34 C ATOM 1048 CG MET A 66 1.128 -5.815 -10.643 1.00 13.12 C ATOM 1049 SD MET A 66 -0.021 -6.889 -9.748 1.00 21.42 S ATOM 1050 CE MET A 66 0.905 -7.228 -8.251 1.00 54.42 C ATOM 0 H MET A 66 3.885 -4.985 -10.449 1.00 22.44 H new ATOM 0 HA MET A 66 1.877 -3.395 -11.640 1.00 24.10 H new ATOM 0 HB2 MET A 66 2.013 -4.827 -8.963 1.00 34.34 H new ATOM 0 HB3 MET A 66 0.563 -4.052 -9.570 1.00 34.34 H new ATOM 0 HG2 MET A 66 0.687 -5.540 -11.601 1.00 13.12 H new ATOM 0 HG3 MET A 66 2.041 -6.370 -10.860 1.00 13.12 H new ATOM 0 HE1 MET A 66 0.378 -7.976 -7.659 1.00 54.42 H new ATOM 0 HE2 MET A 66 1.894 -7.604 -8.512 1.00 54.42 H new ATOM 0 HE3 MET A 66 1.007 -6.311 -7.671 1.00 54.42 H new ATOM 1060 N ALA A 67 3.487 -1.990 -9.207 1.00 12.23 N ATOM 1061 CA ALA A 67 3.659 -0.746 -8.469 1.00 65.43 C ATOM 1062 C ALA A 67 3.888 0.427 -9.422 1.00 5.33 C ATOM 1063 O ALA A 67 3.671 1.582 -9.062 1.00 22.43 O ATOM 1064 CB ALA A 67 4.803 -0.861 -7.473 1.00 65.51 C ATOM 0 H ALA A 67 4.257 -2.651 -9.104 1.00 12.23 H new ATOM 0 HA ALA A 67 2.741 -0.556 -7.912 1.00 65.43 H new ATOM 0 HB1 ALA A 67 4.912 0.080 -6.934 1.00 65.51 H new ATOM 0 HB2 ALA A 67 4.590 -1.662 -6.765 1.00 65.51 H new ATOM 0 HB3 ALA A 67 5.728 -1.084 -8.005 1.00 65.51 H new ATOM 1070 N LYS A 68 4.305 0.122 -10.651 1.00 41.44 N ATOM 1071 CA LYS A 68 4.533 1.160 -11.653 1.00 0.52 C ATOM 1072 C LYS A 68 3.210 1.794 -12.064 1.00 43.02 C ATOM 1073 O LYS A 68 3.160 2.958 -12.451 1.00 35.44 O ATOM 1074 CB LYS A 68 5.239 0.595 -12.885 1.00 61.51 C ATOM 1075 CG LYS A 68 6.557 -0.100 -12.593 1.00 11.34 C ATOM 1076 CD LYS A 68 7.298 -0.502 -13.877 1.00 25.05 C ATOM 1077 CE LYS A 68 6.528 -1.525 -14.724 1.00 14.10 C ATOM 1078 NZ LYS A 68 5.449 -0.903 -15.542 1.00 72.30 N ATOM 0 H LYS A 68 4.490 -0.828 -10.974 1.00 41.44 H new ATOM 0 HA LYS A 68 5.176 1.919 -11.207 1.00 0.52 H new ATOM 0 HB2 LYS A 68 4.572 -0.112 -13.378 1.00 61.51 H new ATOM 0 HB3 LYS A 68 5.419 1.407 -13.589 1.00 61.51 H new ATOM 0 HG2 LYS A 68 7.191 0.561 -12.001 1.00 11.34 H new ATOM 0 HG3 LYS A 68 6.371 -0.988 -11.989 1.00 11.34 H new ATOM 0 HD2 LYS A 68 7.484 0.390 -14.476 1.00 25.05 H new ATOM 0 HD3 LYS A 68 8.271 -0.917 -13.613 1.00 25.05 H new ATOM 0 HE2 LYS A 68 7.225 -2.042 -15.383 1.00 14.10 H new ATOM 0 HE3 LYS A 68 6.092 -2.278 -14.068 1.00 14.10 H new ATOM 0 HZ1 LYS A 68 4.522 -1.197 -15.175 1.00 72.30 H new ATOM 0 HZ2 LYS A 68 5.529 0.133 -15.492 1.00 72.30 H new ATOM 0 HZ3 LYS A 68 5.543 -1.210 -16.531 1.00 72.30 H new ATOM 1092 N ALA A 69 2.141 1.019 -11.981 1.00 33.24 N ATOM 1093 CA ALA A 69 0.812 1.515 -12.295 1.00 41.34 C ATOM 1094 C ALA A 69 0.150 2.035 -11.030 1.00 72.33 C ATOM 1095 O ALA A 69 -0.876 2.711 -11.075 1.00 41.11 O ATOM 1096 CB ALA A 69 -0.029 0.414 -12.927 1.00 24.12 C ATOM 0 H ALA A 69 2.169 0.040 -11.697 1.00 33.24 H new ATOM 0 HA ALA A 69 0.895 2.332 -13.012 1.00 41.34 H new ATOM 0 HB1 ALA A 69 -1.022 0.801 -13.157 1.00 24.12 H new ATOM 0 HB2 ALA A 69 0.449 0.073 -13.845 1.00 24.12 H new ATOM 0 HB3 ALA A 69 -0.117 -0.421 -12.232 1.00 24.12 H new ATOM 1102 N ASP A 70 0.758 1.716 -9.905 1.00 41.23 N ATOM 1103 CA ASP A 70 0.263 2.125 -8.601 1.00 51.53 C ATOM 1104 C ASP A 70 0.615 3.578 -8.313 1.00 21.33 C ATOM 1105 O ASP A 70 -0.153 4.305 -7.682 1.00 3.53 O ATOM 1106 CB ASP A 70 0.847 1.218 -7.525 1.00 54.54 C ATOM 1107 CG ASP A 70 0.537 1.682 -6.123 1.00 64.22 C ATOM 1108 OD1 ASP A 70 -0.638 1.598 -5.709 1.00 43.01 O ATOM 1109 OD2 ASP A 70 1.469 2.135 -5.423 1.00 52.11 O ATOM 0 H ASP A 70 1.614 1.163 -9.867 1.00 41.23 H new ATOM 0 HA ASP A 70 -0.823 2.037 -8.599 1.00 51.53 H new ATOM 0 HB2 ASP A 70 0.459 0.208 -7.661 1.00 54.54 H new ATOM 0 HB3 ASP A 70 1.928 1.164 -7.652 1.00 54.54 H new ATOM 1114 N LYS A 71 1.776 3.999 -8.787 1.00 71.10 N ATOM 1115 CA LYS A 71 2.233 5.374 -8.594 1.00 61.54 C ATOM 1116 C LYS A 71 1.347 6.369 -9.341 1.00 20.41 C ATOM 1117 O LYS A 71 1.348 7.564 -9.043 1.00 75.43 O ATOM 1118 CB LYS A 71 3.691 5.534 -9.030 1.00 41.25 C ATOM 1119 CG LYS A 71 3.945 5.261 -10.498 1.00 22.33 C ATOM 1120 CD LYS A 71 5.408 5.463 -10.842 1.00 73.44 C ATOM 1121 CE LYS A 71 5.669 5.242 -12.320 1.00 64.02 C ATOM 1122 NZ LYS A 71 4.869 6.160 -13.168 1.00 74.41 N ATOM 0 H LYS A 71 2.424 3.410 -9.310 1.00 71.10 H new ATOM 0 HA LYS A 71 2.162 5.591 -7.528 1.00 61.54 H new ATOM 0 HB2 LYS A 71 4.015 6.549 -8.802 1.00 41.25 H new ATOM 0 HB3 LYS A 71 4.310 4.861 -8.437 1.00 41.25 H new ATOM 0 HG2 LYS A 71 3.649 4.240 -10.738 1.00 22.33 H new ATOM 0 HG3 LYS A 71 3.330 5.923 -11.107 1.00 22.33 H new ATOM 0 HD2 LYS A 71 5.712 6.473 -10.565 1.00 73.44 H new ATOM 0 HD3 LYS A 71 6.018 4.775 -10.257 1.00 73.44 H new ATOM 0 HE2 LYS A 71 6.729 5.388 -12.527 1.00 64.02 H new ATOM 0 HE3 LYS A 71 5.433 4.210 -12.580 1.00 64.02 H new ATOM 0 HZ1 LYS A 71 5.363 6.319 -14.069 1.00 74.41 H new ATOM 0 HZ2 LYS A 71 3.937 5.737 -13.354 1.00 74.41 H new ATOM 0 HZ3 LYS A 71 4.746 7.068 -12.676 1.00 74.41 H new ATOM 1136 N ALA A 72 0.558 5.854 -10.273 1.00 3.14 N ATOM 1137 CA ALA A 72 -0.321 6.673 -11.102 1.00 24.04 C ATOM 1138 C ALA A 72 -1.418 7.352 -10.278 1.00 32.42 C ATOM 1139 O ALA A 72 -2.113 8.232 -10.773 1.00 41.00 O ATOM 1140 CB ALA A 72 -0.935 5.832 -12.208 1.00 13.54 C ATOM 0 H ALA A 72 0.508 4.856 -10.478 1.00 3.14 H new ATOM 0 HA ALA A 72 0.288 7.461 -11.546 1.00 24.04 H new ATOM 0 HB1 ALA A 72 -1.588 6.455 -12.819 1.00 13.54 H new ATOM 0 HB2 ALA A 72 -0.143 5.416 -12.831 1.00 13.54 H new ATOM 0 HB3 ALA A 72 -1.515 5.020 -11.769 1.00 13.54 H new ATOM 1146 N ARG A 73 -1.552 6.957 -9.018 1.00 71.13 N ATOM 1147 CA ARG A 73 -2.591 7.516 -8.170 1.00 51.03 C ATOM 1148 C ARG A 73 -2.110 8.785 -7.483 1.00 15.44 C ATOM 1149 O ARG A 73 -2.876 9.728 -7.315 1.00 12.11 O ATOM 1150 CB ARG A 73 -3.061 6.518 -7.105 1.00 71.24 C ATOM 1151 CG ARG A 73 -2.006 6.192 -6.060 1.00 45.33 C ATOM 1152 CD ARG A 73 -2.627 5.757 -4.746 1.00 20.22 C ATOM 1153 NE ARG A 73 -3.506 4.611 -4.909 1.00 32.04 N ATOM 1154 CZ ARG A 73 -3.328 3.430 -4.311 1.00 32.04 C ATOM 1155 NH1 ARG A 73 -2.248 3.212 -3.565 1.00 64.43 N ATOM 1156 NH2 ARG A 73 -4.219 2.459 -4.480 1.00 61.33 N ATOM 0 H ARG A 73 -0.960 6.259 -8.567 1.00 71.13 H new ATOM 0 HA ARG A 73 -3.432 7.750 -8.823 1.00 51.03 H new ATOM 0 HB2 ARG A 73 -3.941 6.922 -6.605 1.00 71.24 H new ATOM 0 HB3 ARG A 73 -3.369 5.595 -7.596 1.00 71.24 H new ATOM 0 HG2 ARG A 73 -1.357 5.401 -6.434 1.00 45.33 H new ATOM 0 HG3 ARG A 73 -1.378 7.067 -5.893 1.00 45.33 H new ATOM 0 HD2 ARG A 73 -1.837 5.509 -4.037 1.00 20.22 H new ATOM 0 HD3 ARG A 73 -3.190 6.587 -4.319 1.00 20.22 H new ATOM 0 HE ARG A 73 -4.314 4.716 -5.522 1.00 32.04 H new ATOM 0 HH11 ARG A 73 -1.552 3.948 -3.448 1.00 64.43 H new ATOM 0 HH12 ARG A 73 -2.116 2.309 -3.110 1.00 64.43 H new ATOM 0 HH21 ARG A 73 -5.039 2.615 -5.066 1.00 61.33 H new ATOM 0 HH22 ARG A 73 -4.083 1.557 -4.023 1.00 61.33 H new ATOM 1170 N TYR A 74 -0.841 8.812 -7.080 1.00 74.42 N ATOM 1171 CA TYR A 74 -0.337 9.952 -6.347 1.00 41.01 C ATOM 1172 C TYR A 74 0.390 10.947 -7.236 1.00 11.52 C ATOM 1173 O TYR A 74 0.447 12.131 -6.913 1.00 42.34 O ATOM 1174 CB TYR A 74 0.532 9.538 -5.140 1.00 31.13 C ATOM 1175 CG TYR A 74 1.750 8.691 -5.461 1.00 34.33 C ATOM 1176 CD1 TYR A 74 2.928 9.268 -5.928 1.00 73.34 C ATOM 1177 CD2 TYR A 74 1.727 7.319 -5.272 1.00 3.03 C ATOM 1178 CE1 TYR A 74 4.042 8.495 -6.198 1.00 53.35 C ATOM 1179 CE2 TYR A 74 2.834 6.541 -5.541 1.00 53.21 C ATOM 1180 CZ TYR A 74 3.989 7.132 -6.003 1.00 34.51 C ATOM 1181 OH TYR A 74 5.095 6.353 -6.270 1.00 12.32 O ATOM 0 H TYR A 74 -0.162 8.070 -7.248 1.00 74.42 H new ATOM 0 HA TYR A 74 -1.216 10.462 -5.953 1.00 41.01 H new ATOM 0 HB2 TYR A 74 0.866 10.442 -4.630 1.00 31.13 H new ATOM 0 HB3 TYR A 74 -0.094 8.988 -4.437 1.00 31.13 H new ATOM 0 HD1 TYR A 74 2.972 10.336 -6.082 1.00 73.34 H new ATOM 0 HD2 TYR A 74 0.825 6.849 -4.907 1.00 3.03 H new ATOM 0 HE1 TYR A 74 4.949 8.957 -6.560 1.00 53.35 H new ATOM 0 HE2 TYR A 74 2.795 5.472 -5.390 1.00 53.21 H new ATOM 0 HH TYR A 74 5.562 6.150 -5.433 1.00 12.32 H new ATOM 1191 N GLU A 75 0.949 10.476 -8.352 1.00 13.34 N ATOM 1192 CA GLU A 75 1.643 11.375 -9.267 1.00 54.22 C ATOM 1193 C GLU A 75 0.695 12.460 -9.771 1.00 51.32 C ATOM 1194 O GLU A 75 0.952 13.646 -9.570 1.00 43.34 O ATOM 1195 CB GLU A 75 2.303 10.617 -10.422 1.00 61.41 C ATOM 1196 CG GLU A 75 3.412 9.674 -9.965 1.00 3.31 C ATOM 1197 CD GLU A 75 4.302 9.210 -11.094 1.00 52.12 C ATOM 1198 OE1 GLU A 75 3.839 8.429 -11.952 1.00 22.51 O ATOM 1199 OE2 GLU A 75 5.476 9.629 -11.138 1.00 13.31 O ATOM 0 H GLU A 75 0.935 9.497 -8.638 1.00 13.34 H new ATOM 0 HA GLU A 75 2.448 11.859 -8.714 1.00 54.22 H new ATOM 0 HB2 GLU A 75 1.543 10.044 -10.953 1.00 61.41 H new ATOM 0 HB3 GLU A 75 2.715 11.335 -11.131 1.00 61.41 H new ATOM 0 HG2 GLU A 75 4.021 10.177 -9.214 1.00 3.31 H new ATOM 0 HG3 GLU A 75 2.965 8.805 -9.483 1.00 3.31 H new ATOM 1206 N ARG A 76 -0.395 12.060 -10.442 1.00 21.42 N ATOM 1207 CA ARG A 76 -1.445 13.004 -10.866 1.00 44.52 C ATOM 1208 C ARG A 76 -1.895 13.952 -9.736 1.00 23.15 C ATOM 1209 O ARG A 76 -2.307 15.085 -9.997 1.00 2.41 O ATOM 1210 CB ARG A 76 -2.658 12.246 -11.419 1.00 31.43 C ATOM 1211 CG ARG A 76 -3.320 11.313 -10.417 1.00 14.40 C ATOM 1212 CD ARG A 76 -4.568 10.665 -10.996 1.00 71.24 C ATOM 1213 NE ARG A 76 -4.274 9.819 -12.160 1.00 31.41 N ATOM 1214 CZ ARG A 76 -5.158 8.994 -12.726 1.00 22.03 C ATOM 1215 NH1 ARG A 76 -6.387 8.894 -12.233 1.00 31.11 N ATOM 1216 NH2 ARG A 76 -4.811 8.263 -13.778 1.00 10.44 N ATOM 0 H ARG A 76 -0.574 11.091 -10.704 1.00 21.42 H new ATOM 0 HA ARG A 76 -1.005 13.621 -11.649 1.00 44.52 H new ATOM 0 HB2 ARG A 76 -3.396 12.969 -11.768 1.00 31.43 H new ATOM 0 HB3 ARG A 76 -2.345 11.666 -12.287 1.00 31.43 H new ATOM 0 HG2 ARG A 76 -2.613 10.539 -10.117 1.00 14.40 H new ATOM 0 HG3 ARG A 76 -3.582 11.871 -9.518 1.00 14.40 H new ATOM 0 HD2 ARG A 76 -5.051 10.063 -10.226 1.00 71.24 H new ATOM 0 HD3 ARG A 76 -5.276 11.442 -11.285 1.00 71.24 H new ATOM 0 HE ARG A 76 -3.337 9.865 -12.561 1.00 31.41 H new ATOM 0 HH11 ARG A 76 -6.657 9.448 -11.420 1.00 31.11 H new ATOM 0 HH12 ARG A 76 -7.061 8.263 -12.667 1.00 31.11 H new ATOM 0 HH21 ARG A 76 -3.866 8.330 -14.157 1.00 10.44 H new ATOM 0 HH22 ARG A 76 -5.489 7.634 -14.208 1.00 10.44 H new ATOM 1230 N GLU A 77 -1.803 13.501 -8.496 1.00 61.14 N ATOM 1231 CA GLU A 77 -2.204 14.326 -7.370 1.00 13.10 C ATOM 1232 C GLU A 77 -1.150 15.376 -7.074 1.00 74.42 C ATOM 1233 O GLU A 77 -1.472 16.526 -6.790 1.00 44.54 O ATOM 1234 CB GLU A 77 -2.468 13.477 -6.127 1.00 41.43 C ATOM 1235 CG GLU A 77 -3.722 12.631 -6.221 1.00 10.03 C ATOM 1236 CD GLU A 77 -4.955 13.464 -6.486 1.00 30.13 C ATOM 1237 OE1 GLU A 77 -5.421 14.161 -5.563 1.00 70.45 O ATOM 1238 OE2 GLU A 77 -5.465 13.436 -7.618 1.00 64.45 O ATOM 0 H GLU A 77 -1.457 12.575 -8.245 1.00 61.14 H new ATOM 0 HA GLU A 77 -3.133 14.828 -7.641 1.00 13.10 H new ATOM 0 HB2 GLU A 77 -1.612 12.824 -5.956 1.00 41.43 H new ATOM 0 HB3 GLU A 77 -2.547 14.133 -5.260 1.00 41.43 H new ATOM 0 HG2 GLU A 77 -3.604 11.897 -7.018 1.00 10.03 H new ATOM 0 HG3 GLU A 77 -3.854 12.075 -5.292 1.00 10.03 H new ATOM 1245 N MET A 78 0.109 14.983 -7.174 1.00 71.00 N ATOM 1246 CA MET A 78 1.218 15.884 -6.902 1.00 71.12 C ATOM 1247 C MET A 78 1.433 16.862 -8.056 1.00 70.54 C ATOM 1248 O MET A 78 1.837 17.995 -7.842 1.00 72.01 O ATOM 1249 CB MET A 78 2.498 15.096 -6.609 1.00 5.34 C ATOM 1250 CG MET A 78 3.708 15.974 -6.316 1.00 61.41 C ATOM 1251 SD MET A 78 5.101 15.047 -5.644 1.00 42.33 S ATOM 1252 CE MET A 78 4.436 14.550 -4.056 1.00 1.50 C ATOM 0 H MET A 78 0.390 14.040 -7.443 1.00 71.00 H new ATOM 0 HA MET A 78 0.965 16.467 -6.016 1.00 71.12 H new ATOM 0 HB2 MET A 78 2.322 14.440 -5.757 1.00 5.34 H new ATOM 0 HB3 MET A 78 2.723 14.457 -7.463 1.00 5.34 H new ATOM 0 HG2 MET A 78 4.019 16.473 -7.234 1.00 61.41 H new ATOM 0 HG3 MET A 78 3.422 16.754 -5.610 1.00 61.41 H new ATOM 0 HE1 MET A 78 5.255 14.340 -3.368 1.00 1.50 H new ATOM 0 HE2 MET A 78 3.820 15.353 -3.652 1.00 1.50 H new ATOM 0 HE3 MET A 78 3.828 13.654 -4.180 1.00 1.50 H new ATOM 1262 N LYS A 79 1.171 16.413 -9.279 1.00 3.45 N ATOM 1263 CA LYS A 79 1.294 17.294 -10.446 1.00 30.02 C ATOM 1264 C LYS A 79 0.241 18.406 -10.385 1.00 51.43 C ATOM 1265 O LYS A 79 0.425 19.485 -10.944 1.00 50.12 O ATOM 1266 CB LYS A 79 1.159 16.511 -11.764 1.00 70.44 C ATOM 1267 CG LYS A 79 -0.269 16.140 -12.123 1.00 72.03 C ATOM 1268 CD LYS A 79 -0.352 15.462 -13.479 1.00 65.13 C ATOM 1269 CE LYS A 79 -1.794 15.157 -13.853 1.00 72.30 C ATOM 1270 NZ LYS A 79 -1.903 14.542 -15.194 1.00 24.31 N ATOM 0 H LYS A 79 0.876 15.460 -9.492 1.00 3.45 H new ATOM 0 HA LYS A 79 2.289 17.739 -10.421 1.00 30.02 H new ATOM 0 HB2 LYS A 79 1.582 17.107 -12.573 1.00 70.44 H new ATOM 0 HB3 LYS A 79 1.753 15.600 -11.695 1.00 70.44 H new ATOM 0 HG2 LYS A 79 -0.675 15.476 -11.359 1.00 72.03 H new ATOM 0 HG3 LYS A 79 -0.888 17.037 -12.127 1.00 72.03 H new ATOM 0 HD2 LYS A 79 0.095 16.104 -14.238 1.00 65.13 H new ATOM 0 HD3 LYS A 79 0.226 14.538 -13.463 1.00 65.13 H new ATOM 0 HE2 LYS A 79 -2.226 14.486 -13.111 1.00 72.30 H new ATOM 0 HE3 LYS A 79 -2.377 16.078 -13.828 1.00 72.30 H new ATOM 0 HZ1 LYS A 79 -2.903 14.351 -15.408 1.00 24.31 H new ATOM 0 HZ2 LYS A 79 -1.514 15.192 -15.907 1.00 24.31 H new ATOM 0 HZ3 LYS A 79 -1.369 13.650 -15.211 1.00 24.31 H new ATOM 1284 N THR A 80 -0.860 18.123 -9.704 1.00 21.44 N ATOM 1285 CA THR A 80 -1.937 19.081 -9.545 1.00 73.42 C ATOM 1286 C THR A 80 -1.735 19.895 -8.262 1.00 41.34 C ATOM 1287 O THR A 80 -2.074 21.079 -8.196 1.00 74.34 O ATOM 1288 CB THR A 80 -3.301 18.355 -9.502 1.00 10.15 C ATOM 1289 OG1 THR A 80 -3.432 17.516 -10.665 1.00 21.52 O ATOM 1290 CG2 THR A 80 -4.455 19.349 -9.465 1.00 74.31 C ATOM 0 H THR A 80 -1.029 17.226 -9.249 1.00 21.44 H new ATOM 0 HA THR A 80 -1.928 19.758 -10.399 1.00 73.42 H new ATOM 0 HB THR A 80 -3.339 17.752 -8.595 1.00 10.15 H new ATOM 0 HG1 THR A 80 -2.987 16.658 -10.501 1.00 21.52 H new ATOM 0 HG21 THR A 80 -5.401 18.808 -9.435 1.00 74.31 H new ATOM 0 HG22 THR A 80 -4.367 19.975 -8.577 1.00 74.31 H new ATOM 0 HG23 THR A 80 -4.424 19.976 -10.356 1.00 74.31 H new ATOM 1298 N TYR A 81 -1.169 19.248 -7.255 1.00 71.25 N ATOM 1299 CA TYR A 81 -0.891 19.879 -5.978 1.00 62.11 C ATOM 1300 C TYR A 81 0.318 20.793 -6.084 1.00 41.42 C ATOM 1301 O TYR A 81 1.370 20.395 -6.569 1.00 24.11 O ATOM 1302 CB TYR A 81 -0.663 18.802 -4.899 1.00 65.10 C ATOM 1303 CG TYR A 81 -0.042 19.305 -3.608 1.00 22.11 C ATOM 1304 CD1 TYR A 81 -0.796 19.991 -2.666 1.00 51.03 C ATOM 1305 CD2 TYR A 81 1.302 19.078 -3.333 1.00 44.52 C ATOM 1306 CE1 TYR A 81 -0.228 20.439 -1.488 1.00 12.30 C ATOM 1307 CE2 TYR A 81 1.876 19.521 -2.161 1.00 3.05 C ATOM 1308 CZ TYR A 81 1.111 20.201 -1.242 1.00 10.21 C ATOM 1309 OH TYR A 81 1.681 20.642 -0.068 1.00 41.21 O ATOM 0 H TYR A 81 -0.890 18.268 -7.302 1.00 71.25 H new ATOM 0 HA TYR A 81 -1.750 20.486 -5.693 1.00 62.11 H new ATOM 0 HB2 TYR A 81 -1.620 18.335 -4.666 1.00 65.10 H new ATOM 0 HB3 TYR A 81 -0.022 18.024 -5.314 1.00 65.10 H new ATOM 0 HD1 TYR A 81 -1.843 20.178 -2.856 1.00 51.03 H new ATOM 0 HD2 TYR A 81 1.907 18.545 -4.051 1.00 44.52 H new ATOM 0 HE1 TYR A 81 -0.827 20.972 -0.764 1.00 12.30 H new ATOM 0 HE2 TYR A 81 2.922 19.335 -1.965 1.00 3.05 H new ATOM 0 HH TYR A 81 1.199 20.259 0.694 1.00 41.21 H new ATOM 1319 N ILE A 82 0.160 22.010 -5.643 1.00 62.25 N ATOM 1320 CA ILE A 82 1.240 22.968 -5.657 1.00 65.11 C ATOM 1321 C ILE A 82 1.861 23.049 -4.269 1.00 31.53 C ATOM 1322 O ILE A 82 1.248 23.579 -3.341 1.00 4.41 O ATOM 1323 CB ILE A 82 0.749 24.376 -6.086 1.00 44.12 C ATOM 1324 CG1 ILE A 82 0.067 24.317 -7.463 1.00 3.42 C ATOM 1325 CG2 ILE A 82 1.908 25.370 -6.101 1.00 4.11 C ATOM 1326 CD1 ILE A 82 0.967 23.820 -8.581 1.00 71.12 C ATOM 0 H ILE A 82 -0.716 22.369 -5.264 1.00 62.25 H new ATOM 0 HA ILE A 82 1.980 22.633 -6.384 1.00 65.11 H new ATOM 0 HB ILE A 82 0.015 24.718 -5.356 1.00 44.12 H new ATOM 0 HG12 ILE A 82 -0.805 23.666 -7.397 1.00 3.42 H new ATOM 0 HG13 ILE A 82 -0.297 25.312 -7.719 1.00 3.42 H new ATOM 0 HG21 ILE A 82 1.542 26.351 -6.404 1.00 4.11 H new ATOM 0 HG22 ILE A 82 2.342 25.437 -5.104 1.00 4.11 H new ATOM 0 HG23 ILE A 82 2.668 25.032 -6.806 1.00 4.11 H new ATOM 0 HD11 ILE A 82 0.410 23.808 -9.518 1.00 71.12 H new ATOM 0 HD12 ILE A 82 1.827 24.483 -8.678 1.00 71.12 H new ATOM 0 HD13 ILE A 82 1.310 22.812 -8.350 1.00 71.12 H new ATOM 1338 N PRO A 83 3.067 22.490 -4.093 1.00 64.02 N ATOM 1339 CA PRO A 83 3.757 22.512 -2.807 1.00 43.12 C ATOM 1340 C PRO A 83 4.224 23.916 -2.449 1.00 64.45 C ATOM 1341 O PRO A 83 5.003 24.523 -3.188 1.00 21.42 O ATOM 1342 CB PRO A 83 4.974 21.589 -3.022 1.00 12.51 C ATOM 1343 CG PRO A 83 4.715 20.880 -4.310 1.00 40.31 C ATOM 1344 CD PRO A 83 3.848 21.794 -5.120 1.00 61.31 C ATOM 0 HA PRO A 83 3.110 22.191 -1.991 1.00 43.12 H new ATOM 0 HB2 PRO A 83 5.899 22.164 -3.070 1.00 12.51 H new ATOM 0 HB3 PRO A 83 5.080 20.882 -2.199 1.00 12.51 H new ATOM 0 HG2 PRO A 83 5.648 20.665 -4.831 1.00 40.31 H new ATOM 0 HG3 PRO A 83 4.219 19.925 -4.136 1.00 40.31 H new ATOM 0 HD2 PRO A 83 4.439 22.487 -5.719 1.00 61.31 H new ATOM 0 HD3 PRO A 83 3.210 21.241 -5.809 1.00 61.31 H new ATOM 1352 N PRO A 84 3.740 24.463 -1.322 1.00 4.25 N ATOM 1353 CA PRO A 84 4.146 25.789 -0.857 1.00 42.31 C ATOM 1354 C PRO A 84 5.653 25.865 -0.635 1.00 71.04 C ATOM 1355 O PRO A 84 6.268 24.911 -0.144 1.00 32.21 O ATOM 1356 CB PRO A 84 3.402 25.951 0.477 1.00 74.24 C ATOM 1357 CG PRO A 84 2.261 24.998 0.394 1.00 23.15 C ATOM 1358 CD PRO A 84 2.748 23.842 -0.427 1.00 63.13 C ATOM 0 HA PRO A 84 3.911 26.570 -1.580 1.00 42.31 H new ATOM 0 HB2 PRO A 84 4.050 25.719 1.322 1.00 74.24 H new ATOM 0 HB3 PRO A 84 3.053 26.975 0.614 1.00 74.24 H new ATOM 0 HG2 PRO A 84 1.954 24.670 1.387 1.00 23.15 H new ATOM 0 HG3 PRO A 84 1.393 25.468 -0.069 1.00 23.15 H new ATOM 0 HD2 PRO A 84 3.195 23.066 0.194 1.00 63.13 H new ATOM 0 HD3 PRO A 84 1.937 23.375 -0.986 1.00 63.13 H new ATOM 1366 N LYS A 85 6.244 26.979 -1.011 1.00 31.41 N ATOM 1367 CA LYS A 85 7.675 27.168 -0.851 1.00 4.45 C ATOM 1368 C LYS A 85 8.026 27.411 0.610 1.00 75.12 C ATOM 1369 O LYS A 85 7.383 28.219 1.287 1.00 3.21 O ATOM 1370 CB LYS A 85 8.166 28.322 -1.725 1.00 71.24 C ATOM 1371 CG LYS A 85 8.055 28.047 -3.215 1.00 11.54 C ATOM 1372 CD LYS A 85 8.671 29.167 -4.035 1.00 73.34 C ATOM 1373 CE LYS A 85 8.538 28.904 -5.527 1.00 40.42 C ATOM 1374 NZ LYS A 85 7.119 28.827 -5.962 1.00 43.31 N ATOM 0 H LYS A 85 5.757 27.771 -1.431 1.00 31.41 H new ATOM 0 HA LYS A 85 8.179 26.257 -1.174 1.00 4.45 H new ATOM 0 HB2 LYS A 85 7.592 29.217 -1.486 1.00 71.24 H new ATOM 0 HB3 LYS A 85 9.207 28.535 -1.480 1.00 71.24 H new ATOM 0 HG2 LYS A 85 8.553 27.106 -3.450 1.00 11.54 H new ATOM 0 HG3 LYS A 85 7.006 27.930 -3.487 1.00 11.54 H new ATOM 0 HD2 LYS A 85 8.186 30.111 -3.786 1.00 73.34 H new ATOM 0 HD3 LYS A 85 9.724 29.272 -3.776 1.00 73.34 H new ATOM 0 HE2 LYS A 85 9.043 29.696 -6.080 1.00 40.42 H new ATOM 0 HE3 LYS A 85 9.043 27.971 -5.776 1.00 40.42 H new ATOM 0 HZ1 LYS A 85 7.071 28.868 -7.000 1.00 43.31 H new ATOM 0 HZ2 LYS A 85 6.703 27.933 -5.631 1.00 43.31 H new ATOM 0 HZ3 LYS A 85 6.589 29.626 -5.559 1.00 43.31 H new ATOM 1388 N GLY A 86 9.031 26.703 1.092 1.00 21.03 N ATOM 1389 CA GLY A 86 9.437 26.840 2.476 1.00 74.02 C ATOM 1390 C GLY A 86 10.929 27.055 2.621 1.00 35.20 C ATOM 1391 O GLY A 86 11.471 27.000 3.726 1.00 50.15 O ATOM 0 H GLY A 86 9.576 26.033 0.550 1.00 21.03 H new ATOM 0 HA2 GLY A 86 8.906 27.679 2.926 1.00 74.02 H new ATOM 0 HA3 GLY A 86 9.146 25.946 3.027 1.00 74.02 H new ATOM 1395 N GLU A 87 11.592 27.289 1.511 1.00 52.50 N ATOM 1396 CA GLU A 87 13.020 27.528 1.509 1.00 64.32 C ATOM 1397 C GLU A 87 13.295 28.812 0.746 1.00 44.11 C ATOM 1398 O GLU A 87 13.500 29.855 1.395 1.00 0.00 O ATOM 1399 CB GLU A 87 13.765 26.337 0.869 1.00 52.24 C ATOM 1400 CG GLU A 87 15.236 26.187 1.290 1.00 64.21 C ATOM 1401 CD GLU A 87 16.144 27.292 0.775 1.00 10.44 C ATOM 1402 OE1 GLU A 87 16.464 27.294 -0.433 1.00 73.20 O ATOM 1403 OE2 GLU A 87 16.560 28.155 1.581 1.00 3.33 O ATOM 1404 OXT GLU A 87 13.263 28.784 -0.499 1.00 0.00 O ATOM 0 H GLU A 87 11.160 27.319 0.587 1.00 52.50 H new ATOM 0 HA GLU A 87 13.381 27.630 2.533 1.00 64.32 H new ATOM 0 HB2 GLU A 87 13.235 25.419 1.122 1.00 52.24 H new ATOM 0 HB3 GLU A 87 13.722 26.442 -0.215 1.00 52.24 H new ATOM 0 HG2 GLU A 87 15.291 26.164 2.378 1.00 64.21 H new ATOM 0 HG3 GLU A 87 15.609 25.228 0.932 1.00 64.21 H new TER 1411 GLU A 87