USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 658 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 ASN : amide:sc= -0.918 K(o=-1.6,f=-4.6!) USER MOD Set 1.2: A 48 LYS NZ :NH3+ -112:sc= -0.638 (180deg=-2.56!) USER MOD Single : A 4 LYS NZ :NH3+ 164:sc= 0.269 (180deg=-0.211) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -101:sc= 0.241 USER MOD Single : A 8 GLN : amide:sc= -2.64! C(o=-2.6!,f=-5.8!) USER MOD Single : A 12 LYS NZ :NH3+ 165:sc= 0.744 (180deg=0.654) USER MOD Single : A 14 MET CE :methyl -159:sc= -0.122 (180deg=-0.611) USER MOD Single : A 21 HIS : +bothHN:sc= 1.42 K(o=1.4,f=-8.4!) USER MOD Single : A 27 HIS : no HD1:sc= -0.0291 X(o=-0.029,f=8.3e-05) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.402 F(o=-3.2!,f=-0.4) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -133:sc= 1.13 (180deg=0.483) USER MOD Single : A 57 GLN :FLIP amide:sc= -0.141 F(o=-1.2,f=-0.14) USER MOD Single : A 59 TYR OH : rot 90:sc= 0.018 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN :FLIP amide:sc= -0.213 F(o=-1.8,f=-0.21) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0338 USER MOD Single : A 80 SER OG : rot -36:sc= 0.32 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N ILE A 3 -9.581 8.063 -1.339 1.00 0.00 N ATOM 11 CA ILE A 3 -8.212 7.626 -1.163 1.00 0.00 C ATOM 12 C ILE A 3 -7.315 8.129 -2.296 1.00 0.00 C ATOM 13 O ILE A 3 -6.210 8.587 -2.060 1.00 0.00 O ATOM 14 CB ILE A 3 -8.169 6.061 -1.008 1.00 0.00 C ATOM 15 CG1 ILE A 3 -6.725 5.469 -0.856 1.00 0.00 C ATOM 16 CG2 ILE A 3 -8.958 5.378 -2.124 1.00 0.00 C ATOM 17 CD1 ILE A 3 -5.933 5.289 -2.142 1.00 0.00 C ATOM 0 HA ILE A 3 -7.814 8.063 -0.247 1.00 0.00 H new ATOM 0 HB ILE A 3 -8.658 5.840 -0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.156 6.120 -0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -6.802 4.500 -0.363 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -8.912 4.297 -1.993 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.997 5.704 -2.087 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.528 5.645 -3.089 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.952 4.873 -1.910 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.467 4.610 -2.806 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.811 6.255 -2.632 1.00 0.00 H new ATOM 29 N LYS A 4 -7.821 8.120 -3.507 1.00 0.00 N ATOM 30 CA LYS A 4 -7.001 8.435 -4.669 1.00 0.00 C ATOM 31 C LYS A 4 -6.907 9.931 -4.963 1.00 0.00 C ATOM 32 O LYS A 4 -6.581 10.344 -6.061 1.00 0.00 O ATOM 33 CB LYS A 4 -7.441 7.603 -5.877 1.00 0.00 C ATOM 34 CG LYS A 4 -7.194 6.106 -5.656 1.00 0.00 C ATOM 35 CD LYS A 4 -7.582 5.247 -6.841 1.00 0.00 C ATOM 36 CE LYS A 4 -9.075 5.250 -7.097 1.00 0.00 C ATOM 37 NZ LYS A 4 -9.431 4.418 -8.266 1.00 0.00 N ATOM 0 H LYS A 4 -8.794 7.899 -3.720 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.976 8.149 -4.431 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.501 7.772 -6.069 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.900 7.934 -6.763 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.138 5.949 -5.434 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.756 5.779 -4.781 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.064 5.605 -7.730 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.249 4.224 -6.668 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.596 4.879 -6.214 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.414 6.273 -7.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.452 4.221 -8.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.187 4.925 -9.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.905 3.522 -8.227 1.00 0.00 H new ATOM 51 N GLN A 5 -7.140 10.722 -3.945 1.00 0.00 N ATOM 52 CA GLN A 5 -6.975 12.161 -4.025 1.00 0.00 C ATOM 53 C GLN A 5 -5.809 12.568 -3.131 1.00 0.00 C ATOM 54 O GLN A 5 -5.495 13.749 -2.983 1.00 0.00 O ATOM 55 CB GLN A 5 -8.254 12.890 -3.603 1.00 0.00 C ATOM 56 CG GLN A 5 -8.739 12.516 -2.218 1.00 0.00 C ATOM 57 CD GLN A 5 -9.944 13.306 -1.774 1.00 0.00 C ATOM 58 OE1 GLN A 5 -9.815 14.349 -1.149 1.00 0.00 O ATOM 59 NE2 GLN A 5 -11.113 12.831 -2.109 1.00 0.00 N ATOM 0 H GLN A 5 -7.451 10.389 -3.032 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.768 12.441 -5.058 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -8.077 13.965 -3.639 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.041 12.672 -4.325 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.983 11.454 -2.201 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.930 12.669 -1.504 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.178 11.957 -2.631 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.961 13.334 -1.849 1.00 0.00 H new ATOM 68 N TYR A 6 -5.176 11.574 -2.540 1.00 0.00 N ATOM 69 CA TYR A 6 -4.059 11.798 -1.653 1.00 0.00 C ATOM 70 C TYR A 6 -2.777 11.825 -2.451 1.00 0.00 C ATOM 71 O TYR A 6 -2.581 10.997 -3.327 1.00 0.00 O ATOM 72 CB TYR A 6 -3.947 10.690 -0.605 1.00 0.00 C ATOM 73 CG TYR A 6 -5.092 10.558 0.386 1.00 0.00 C ATOM 74 CD1 TYR A 6 -5.871 11.648 0.768 1.00 0.00 C ATOM 75 CD2 TYR A 6 -5.371 9.326 0.961 1.00 0.00 C ATOM 76 CE1 TYR A 6 -6.889 11.503 1.689 1.00 0.00 C ATOM 77 CE2 TYR A 6 -6.378 9.177 1.882 1.00 0.00 C ATOM 78 CZ TYR A 6 -7.135 10.266 2.245 1.00 0.00 C ATOM 79 OH TYR A 6 -8.140 10.116 3.180 1.00 0.00 O ATOM 0 H TYR A 6 -5.423 10.592 -2.663 1.00 0.00 H new ATOM 0 HA TYR A 6 -4.223 12.750 -1.148 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.840 9.739 -1.127 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -3.028 10.849 -0.041 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -5.676 12.619 0.338 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.783 8.466 0.678 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -7.490 12.355 1.972 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.575 8.209 2.319 1.00 0.00 H new ATOM 0 HH TYR A 6 -8.181 9.181 3.469 1.00 0.00 H new ATOM 89 N SER A 7 -1.920 12.758 -2.151 1.00 0.00 N ATOM 90 CA SER A 7 -0.652 12.847 -2.811 1.00 0.00 C ATOM 91 C SER A 7 0.360 11.905 -2.147 1.00 0.00 C ATOM 92 O SER A 7 0.050 11.195 -1.172 1.00 0.00 O ATOM 93 CB SER A 7 -0.167 14.311 -2.861 1.00 0.00 C ATOM 94 OG SER A 7 1.042 14.449 -3.612 1.00 0.00 O ATOM 0 H SER A 7 -2.081 13.476 -1.444 1.00 0.00 H new ATOM 0 HA SER A 7 -0.759 12.520 -3.845 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.943 14.935 -3.305 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.007 14.675 -1.846 1.00 0.00 H new ATOM 0 HG SER A 7 1.802 14.521 -2.998 1.00 0.00 H new ATOM 100 N GLN A 8 1.555 11.929 -2.661 1.00 0.00 N ATOM 101 CA GLN A 8 2.583 10.996 -2.310 1.00 0.00 C ATOM 102 C GLN A 8 2.974 11.010 -0.828 1.00 0.00 C ATOM 103 O GLN A 8 2.993 9.972 -0.192 1.00 0.00 O ATOM 104 CB GLN A 8 3.816 11.269 -3.103 1.00 0.00 C ATOM 105 CG GLN A 8 4.862 10.252 -2.815 1.00 0.00 C ATOM 106 CD GLN A 8 6.251 10.779 -2.926 1.00 0.00 C ATOM 107 OE1 GLN A 8 7.120 10.336 -2.218 1.00 0.00 O ATOM 108 NE2 GLN A 8 6.478 11.700 -3.814 1.00 0.00 N ATOM 0 H GLN A 8 1.848 12.617 -3.355 1.00 0.00 H new ATOM 0 HA GLN A 8 2.160 10.016 -2.531 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.579 11.263 -4.167 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.194 12.264 -2.866 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.710 9.861 -1.809 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.743 9.415 -3.504 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.715 12.049 -4.394 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.420 12.074 -3.931 1.00 0.00 H new ATOM 117 N GLU A 9 3.284 12.178 -0.295 1.00 0.00 N ATOM 118 CA GLU A 9 3.808 12.294 1.058 1.00 0.00 C ATOM 119 C GLU A 9 2.719 11.944 2.066 1.00 0.00 C ATOM 120 O GLU A 9 2.989 11.496 3.181 1.00 0.00 O ATOM 121 CB GLU A 9 4.426 13.676 1.282 1.00 0.00 C ATOM 122 CG GLU A 9 5.307 13.785 2.514 1.00 0.00 C ATOM 123 CD GLU A 9 6.429 12.749 2.541 1.00 0.00 C ATOM 124 OE1 GLU A 9 7.150 12.570 1.519 1.00 0.00 O ATOM 125 OE2 GLU A 9 6.633 12.122 3.595 1.00 0.00 O ATOM 0 H GLU A 9 3.181 13.068 -0.782 1.00 0.00 H new ATOM 0 HA GLU A 9 4.617 11.578 1.205 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.017 13.941 0.405 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.624 14.410 1.360 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.742 14.784 2.556 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.691 13.668 3.406 1.00 0.00 H new ATOM 132 N GLU A 10 1.503 12.162 1.649 1.00 0.00 N ATOM 133 CA GLU A 10 0.337 11.752 2.375 1.00 0.00 C ATOM 134 C GLU A 10 0.336 10.221 2.482 1.00 0.00 C ATOM 135 O GLU A 10 0.262 9.647 3.567 1.00 0.00 O ATOM 136 CB GLU A 10 -0.899 12.221 1.603 1.00 0.00 C ATOM 137 CG GLU A 10 -2.218 11.835 2.239 1.00 0.00 C ATOM 138 CD GLU A 10 -2.381 12.421 3.604 1.00 0.00 C ATOM 139 OE1 GLU A 10 -1.809 11.892 4.560 1.00 0.00 O ATOM 140 OE2 GLU A 10 -3.088 13.425 3.750 1.00 0.00 O ATOM 0 H GLU A 10 1.292 12.641 0.774 1.00 0.00 H new ATOM 0 HA GLU A 10 0.331 12.183 3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.861 13.306 1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.861 11.808 0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.037 12.169 1.602 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.285 10.749 2.302 1.00 0.00 H new ATOM 147 N LEU A 11 0.477 9.582 1.341 1.00 0.00 N ATOM 148 CA LEU A 11 0.495 8.133 1.237 1.00 0.00 C ATOM 149 C LEU A 11 1.731 7.526 1.920 1.00 0.00 C ATOM 150 O LEU A 11 1.702 6.379 2.355 1.00 0.00 O ATOM 151 CB LEU A 11 0.365 7.719 -0.225 1.00 0.00 C ATOM 152 CG LEU A 11 -0.951 8.155 -0.895 1.00 0.00 C ATOM 153 CD1 LEU A 11 -0.923 7.891 -2.379 1.00 0.00 C ATOM 154 CD2 LEU A 11 -2.138 7.439 -0.262 1.00 0.00 C ATOM 0 H LEU A 11 0.584 10.058 0.445 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.363 7.731 1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.200 8.140 -0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.451 6.634 -0.292 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.060 9.228 -0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.866 8.210 -2.823 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.102 8.447 -2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.780 6.825 -2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.059 7.760 -0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.020 6.362 -0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.185 7.682 0.800 1.00 0.00 H new ATOM 166 N LYS A 12 2.805 8.312 1.990 1.00 0.00 N ATOM 167 CA LYS A 12 4.041 7.951 2.703 1.00 0.00 C ATOM 168 C LYS A 12 3.752 7.521 4.152 1.00 0.00 C ATOM 169 O LYS A 12 4.305 6.530 4.628 1.00 0.00 O ATOM 170 CB LYS A 12 4.994 9.160 2.743 1.00 0.00 C ATOM 171 CG LYS A 12 5.841 9.444 1.514 1.00 0.00 C ATOM 172 CD LYS A 12 7.018 8.497 1.393 1.00 0.00 C ATOM 173 CE LYS A 12 8.040 9.033 0.391 1.00 0.00 C ATOM 174 NZ LYS A 12 8.657 10.322 0.829 1.00 0.00 N ATOM 0 H LYS A 12 2.847 9.231 1.549 1.00 0.00 H new ATOM 0 HA LYS A 12 4.495 7.118 2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.397 10.048 2.949 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.668 9.025 3.589 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.220 9.364 0.622 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.206 10.470 1.557 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.489 8.368 2.367 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.670 7.514 1.075 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.825 8.290 0.246 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.555 9.177 -0.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.507 10.511 0.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.974 11.096 0.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.920 10.258 1.833 1.00 0.00 H new ATOM 188 N GLU A 13 2.870 8.249 4.838 1.00 0.00 N ATOM 189 CA GLU A 13 2.597 7.953 6.241 1.00 0.00 C ATOM 190 C GLU A 13 1.333 7.110 6.423 1.00 0.00 C ATOM 191 O GLU A 13 1.027 6.659 7.531 1.00 0.00 O ATOM 192 CB GLU A 13 2.537 9.233 7.091 1.00 0.00 C ATOM 193 CG GLU A 13 1.432 10.206 6.724 1.00 0.00 C ATOM 194 CD GLU A 13 1.434 11.424 7.610 1.00 0.00 C ATOM 195 OE1 GLU A 13 1.137 11.305 8.821 1.00 0.00 O ATOM 196 OE2 GLU A 13 1.709 12.538 7.115 1.00 0.00 O ATOM 0 H GLU A 13 2.343 9.033 4.453 1.00 0.00 H new ATOM 0 HA GLU A 13 3.435 7.355 6.599 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.416 8.949 8.136 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.494 9.748 7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.550 10.514 5.685 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.467 9.704 6.800 1.00 0.00 H new ATOM 203 N MET A 14 0.611 6.897 5.342 1.00 0.00 N ATOM 204 CA MET A 14 -0.592 6.077 5.375 1.00 0.00 C ATOM 205 C MET A 14 -0.208 4.616 5.461 1.00 0.00 C ATOM 206 O MET A 14 0.812 4.204 4.883 1.00 0.00 O ATOM 207 CB MET A 14 -1.458 6.304 4.121 1.00 0.00 C ATOM 208 CG MET A 14 -2.198 7.635 4.064 1.00 0.00 C ATOM 209 SD MET A 14 -3.543 7.766 5.275 1.00 0.00 S ATOM 210 CE MET A 14 -4.655 6.459 4.723 1.00 0.00 C ATOM 0 H MET A 14 0.834 7.281 4.424 1.00 0.00 H new ATOM 0 HA MET A 14 -1.174 6.364 6.251 1.00 0.00 H new ATOM 0 HB2 MET A 14 -0.819 6.226 3.241 1.00 0.00 H new ATOM 0 HB3 MET A 14 -2.190 5.499 4.056 1.00 0.00 H new ATOM 0 HG2 MET A 14 -1.488 8.444 4.232 1.00 0.00 H new ATOM 0 HG3 MET A 14 -2.606 7.772 3.063 1.00 0.00 H new ATOM 0 HE1 MET A 14 -5.658 6.648 5.106 1.00 0.00 H new ATOM 0 HE2 MET A 14 -4.681 6.439 3.633 1.00 0.00 H new ATOM 0 HE3 MET A 14 -4.300 5.498 5.095 1.00 0.00 H new ATOM 220 N ALA A 15 -0.992 3.837 6.194 1.00 0.00 N ATOM 221 CA ALA A 15 -0.747 2.409 6.306 1.00 0.00 C ATOM 222 C ALA A 15 -0.882 1.774 4.937 1.00 0.00 C ATOM 223 O ALA A 15 -1.895 1.975 4.248 1.00 0.00 O ATOM 224 CB ALA A 15 -1.735 1.777 7.273 1.00 0.00 C ATOM 0 H ALA A 15 -1.801 4.171 6.718 1.00 0.00 H new ATOM 0 HA ALA A 15 0.260 2.245 6.688 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.539 0.707 7.346 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.625 2.234 8.256 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.751 1.936 6.911 1.00 0.00 H new ATOM 230 N LEU A 16 0.099 0.991 4.561 1.00 0.00 N ATOM 231 CA LEU A 16 0.151 0.403 3.235 1.00 0.00 C ATOM 232 C LEU A 16 -0.995 -0.565 2.965 1.00 0.00 C ATOM 233 O LEU A 16 -1.560 -0.568 1.866 1.00 0.00 O ATOM 234 CB LEU A 16 1.546 -0.201 2.864 1.00 0.00 C ATOM 235 CG LEU A 16 2.157 -1.325 3.746 1.00 0.00 C ATOM 236 CD1 LEU A 16 3.331 -1.947 3.023 1.00 0.00 C ATOM 237 CD2 LEU A 16 2.665 -0.788 5.076 1.00 0.00 C ATOM 0 H LEU A 16 0.885 0.740 5.161 1.00 0.00 H new ATOM 0 HA LEU A 16 0.009 1.243 2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.474 -0.588 1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.261 0.621 2.842 1.00 0.00 H new ATOM 0 HG LEU A 16 1.370 -2.055 3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.762 -2.736 3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.993 -2.370 2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.086 -1.184 2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.084 -1.606 5.662 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.436 -0.039 4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.839 -0.334 5.624 1.00 0.00 H new ATOM 249 N VAL A 17 -1.392 -1.338 3.967 1.00 0.00 N ATOM 250 CA VAL A 17 -2.495 -2.273 3.777 1.00 0.00 C ATOM 251 C VAL A 17 -3.827 -1.512 3.704 1.00 0.00 C ATOM 252 O VAL A 17 -4.783 -1.970 3.087 1.00 0.00 O ATOM 253 CB VAL A 17 -2.557 -3.380 4.878 1.00 0.00 C ATOM 254 CG1 VAL A 17 -3.034 -2.834 6.219 1.00 0.00 C ATOM 255 CG2 VAL A 17 -3.414 -4.556 4.432 1.00 0.00 C ATOM 0 H VAL A 17 -0.979 -1.339 4.900 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.314 -2.787 2.833 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.538 -3.738 5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.060 -3.641 6.952 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.350 -2.057 6.560 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.033 -2.414 6.106 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.437 -5.309 5.220 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.428 -4.211 4.230 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.992 -4.991 3.526 1.00 0.00 H new ATOM 265 N GLU A 18 -3.861 -0.321 4.293 1.00 0.00 N ATOM 266 CA GLU A 18 -5.064 0.476 4.289 1.00 0.00 C ATOM 267 C GLU A 18 -5.250 1.082 2.914 1.00 0.00 C ATOM 268 O GLU A 18 -6.334 1.026 2.356 1.00 0.00 O ATOM 269 CB GLU A 18 -5.016 1.564 5.362 1.00 0.00 C ATOM 270 CG GLU A 18 -6.322 2.334 5.520 1.00 0.00 C ATOM 271 CD GLU A 18 -7.484 1.430 5.885 1.00 0.00 C ATOM 272 OE1 GLU A 18 -7.730 1.202 7.099 1.00 0.00 O ATOM 273 OE2 GLU A 18 -8.163 0.927 4.996 1.00 0.00 O ATOM 0 H GLU A 18 -3.069 0.105 4.775 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.914 -0.165 4.522 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.757 1.107 6.317 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.219 2.266 5.118 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.201 3.095 6.291 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.549 2.855 4.590 1.00 0.00 H new ATOM 280 N ILE A 19 -4.154 1.606 2.352 1.00 0.00 N ATOM 281 CA ILE A 19 -4.168 2.177 0.999 1.00 0.00 C ATOM 282 C ILE A 19 -4.666 1.114 0.023 1.00 0.00 C ATOM 283 O ILE A 19 -5.527 1.372 -0.829 1.00 0.00 O ATOM 284 CB ILE A 19 -2.750 2.630 0.544 1.00 0.00 C ATOM 285 CG1 ILE A 19 -2.135 3.614 1.546 1.00 0.00 C ATOM 286 CG2 ILE A 19 -2.829 3.278 -0.837 1.00 0.00 C ATOM 287 CD1 ILE A 19 -0.703 4.003 1.222 1.00 0.00 C ATOM 0 H ILE A 19 -3.245 1.647 2.813 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.821 3.050 1.010 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.111 1.748 0.496 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.748 4.515 1.579 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.165 3.171 2.541 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.833 3.593 -1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.224 2.559 -1.554 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.487 4.146 -0.794 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.336 4.701 1.975 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.076 3.111 1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.668 4.476 0.241 1.00 0.00 H new ATOM 299 N ALA A 20 -4.136 -0.091 0.191 1.00 0.00 N ATOM 300 CA ALA A 20 -4.528 -1.218 -0.609 1.00 0.00 C ATOM 301 C ALA A 20 -6.004 -1.541 -0.379 1.00 0.00 C ATOM 302 O ALA A 20 -6.753 -1.681 -1.319 1.00 0.00 O ATOM 303 CB ALA A 20 -3.648 -2.417 -0.301 1.00 0.00 C ATOM 0 H ALA A 20 -3.423 -0.303 0.889 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.397 -0.968 -1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.957 -3.263 -0.915 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.609 -2.171 -0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.745 -2.679 0.753 1.00 0.00 H new ATOM 309 N HIS A 21 -6.421 -1.597 0.881 1.00 0.00 N ATOM 310 CA HIS A 21 -7.821 -1.880 1.235 1.00 0.00 C ATOM 311 C HIS A 21 -8.771 -0.935 0.524 1.00 0.00 C ATOM 312 O HIS A 21 -9.755 -1.378 -0.037 1.00 0.00 O ATOM 313 CB HIS A 21 -8.028 -1.821 2.772 1.00 0.00 C ATOM 314 CG HIS A 21 -9.474 -1.701 3.223 1.00 0.00 C ATOM 315 ND1 HIS A 21 -9.941 -0.612 3.888 1.00 0.00 N ATOM 316 CD2 HIS A 21 -10.542 -2.518 3.058 1.00 0.00 C ATOM 317 CE1 HIS A 21 -11.223 -0.740 4.114 1.00 0.00 C ATOM 318 NE2 HIS A 21 -11.622 -1.890 3.620 1.00 0.00 N ATOM 0 H HIS A 21 -5.810 -1.450 1.685 1.00 0.00 H new ATOM 0 HA HIS A 21 -8.049 -2.892 0.902 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -7.599 -2.719 3.216 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -7.469 -0.972 3.166 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -9.375 0.188 4.170 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -10.542 -3.484 2.574 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -11.849 -0.021 4.622 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -12.574 -2.254 3.650 1.00 0.00 H new ATOM 327 N GLU A 22 -8.458 0.329 0.547 1.00 0.00 N ATOM 328 CA GLU A 22 -9.258 1.340 -0.109 1.00 0.00 C ATOM 329 C GLU A 22 -9.316 1.081 -1.622 1.00 0.00 C ATOM 330 O GLU A 22 -10.383 1.081 -2.212 1.00 0.00 O ATOM 331 CB GLU A 22 -8.650 2.693 0.157 1.00 0.00 C ATOM 332 CG GLU A 22 -8.545 3.061 1.630 1.00 0.00 C ATOM 333 CD GLU A 22 -9.883 3.205 2.304 1.00 0.00 C ATOM 334 OE1 GLU A 22 -10.430 2.216 2.819 1.00 0.00 O ATOM 335 OE2 GLU A 22 -10.404 4.337 2.353 1.00 0.00 O ATOM 0 H GLU A 22 -7.635 0.696 1.024 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.274 1.306 0.284 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.653 2.722 -0.283 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.245 3.451 -0.352 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.965 2.297 2.148 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.995 3.997 1.725 1.00 0.00 H new ATOM 342 N LEU A 23 -8.154 0.806 -2.206 1.00 0.00 N ATOM 343 CA LEU A 23 -7.994 0.510 -3.642 1.00 0.00 C ATOM 344 C LEU A 23 -8.886 -0.668 -4.058 1.00 0.00 C ATOM 345 O LEU A 23 -9.626 -0.608 -5.046 1.00 0.00 O ATOM 346 CB LEU A 23 -6.505 0.175 -3.890 1.00 0.00 C ATOM 347 CG LEU A 23 -6.046 -0.235 -5.299 1.00 0.00 C ATOM 348 CD1 LEU A 23 -6.383 0.839 -6.312 1.00 0.00 C ATOM 349 CD2 LEU A 23 -4.548 -0.441 -5.260 1.00 0.00 C ATOM 0 H LEU A 23 -7.274 0.780 -1.691 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.295 1.371 -4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.921 1.047 -3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.234 -0.633 -3.210 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.558 -1.150 -5.597 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.048 0.525 -7.301 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.461 0.999 -6.328 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.883 1.768 -6.038 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.195 -0.733 -6.249 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.061 0.487 -4.960 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.307 -1.225 -4.542 1.00 0.00 H new ATOM 361 N PHE A 24 -8.854 -1.697 -3.275 1.00 0.00 N ATOM 362 CA PHE A 24 -9.596 -2.902 -3.570 1.00 0.00 C ATOM 363 C PHE A 24 -11.054 -2.734 -3.273 1.00 0.00 C ATOM 364 O PHE A 24 -11.896 -3.260 -3.978 1.00 0.00 O ATOM 365 CB PHE A 24 -9.023 -4.104 -2.830 1.00 0.00 C ATOM 366 CG PHE A 24 -7.703 -4.554 -3.369 1.00 0.00 C ATOM 367 CD1 PHE A 24 -6.555 -3.840 -3.127 1.00 0.00 C ATOM 368 CD2 PHE A 24 -7.615 -5.687 -4.119 1.00 0.00 C ATOM 369 CE1 PHE A 24 -5.350 -4.244 -3.618 1.00 0.00 C ATOM 370 CE2 PHE A 24 -6.407 -6.097 -4.611 1.00 0.00 C ATOM 371 CZ PHE A 24 -5.281 -5.380 -4.361 1.00 0.00 C ATOM 0 H PHE A 24 -8.315 -1.736 -2.410 1.00 0.00 H new ATOM 0 HA PHE A 24 -9.495 -3.091 -4.639 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.911 -3.853 -1.775 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -9.732 -4.930 -2.888 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.609 -2.939 -2.535 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -8.504 -6.265 -4.326 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.459 -3.667 -3.419 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -6.348 -6.998 -5.203 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.331 -5.712 -4.753 1.00 0.00 H new ATOM 381 N GLU A 25 -11.351 -1.984 -2.247 1.00 0.00 N ATOM 382 CA GLU A 25 -12.713 -1.753 -1.854 1.00 0.00 C ATOM 383 C GLU A 25 -13.409 -0.805 -2.825 1.00 0.00 C ATOM 384 O GLU A 25 -14.628 -0.828 -2.951 1.00 0.00 O ATOM 385 CB GLU A 25 -12.769 -1.227 -0.426 1.00 0.00 C ATOM 386 CG GLU A 25 -14.145 -1.242 0.182 1.00 0.00 C ATOM 387 CD GLU A 25 -14.111 -0.970 1.653 1.00 0.00 C ATOM 388 OE1 GLU A 25 -14.174 0.197 2.050 1.00 0.00 O ATOM 389 OE2 GLU A 25 -14.014 -1.941 2.447 1.00 0.00 O ATOM 0 H GLU A 25 -10.658 -1.517 -1.662 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.249 -2.702 -1.886 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.102 -1.824 0.196 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.388 -0.206 -0.411 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.767 -0.495 -0.311 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.610 -2.212 0.003 1.00 0.00 H new ATOM 396 N GLU A 26 -12.645 0.032 -3.498 1.00 0.00 N ATOM 397 CA GLU A 26 -13.232 0.948 -4.436 1.00 0.00 C ATOM 398 C GLU A 26 -13.377 0.315 -5.828 1.00 0.00 C ATOM 399 O GLU A 26 -14.164 0.773 -6.638 1.00 0.00 O ATOM 400 CB GLU A 26 -12.519 2.325 -4.404 1.00 0.00 C ATOM 401 CG GLU A 26 -11.148 2.437 -5.056 1.00 0.00 C ATOM 402 CD GLU A 26 -11.210 2.621 -6.546 1.00 0.00 C ATOM 403 OE1 GLU A 26 -11.801 3.627 -7.013 1.00 0.00 O ATOM 404 OE2 GLU A 26 -10.610 1.846 -7.267 1.00 0.00 O ATOM 0 H GLU A 26 -11.631 0.092 -3.410 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.256 1.162 -4.128 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.176 3.052 -4.882 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.418 2.624 -3.361 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.612 3.277 -4.615 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.573 1.539 -4.832 1.00 0.00 H new ATOM 411 N HIS A 27 -12.609 -0.739 -6.104 1.00 0.00 N ATOM 412 CA HIS A 27 -12.821 -1.497 -7.351 1.00 0.00 C ATOM 413 C HIS A 27 -13.869 -2.579 -7.142 1.00 0.00 C ATOM 414 O HIS A 27 -14.639 -2.891 -8.041 1.00 0.00 O ATOM 415 CB HIS A 27 -11.539 -2.141 -7.922 1.00 0.00 C ATOM 416 CG HIS A 27 -10.549 -1.198 -8.541 1.00 0.00 C ATOM 417 ND1 HIS A 27 -10.744 -0.572 -9.753 1.00 0.00 N ATOM 418 CD2 HIS A 27 -9.326 -0.809 -8.124 1.00 0.00 C ATOM 419 CE1 HIS A 27 -9.687 0.150 -10.042 1.00 0.00 C ATOM 420 NE2 HIS A 27 -8.813 0.024 -9.074 1.00 0.00 N ATOM 0 H HIS A 27 -11.857 -1.084 -5.508 1.00 0.00 H new ATOM 0 HA HIS A 27 -13.161 -0.764 -8.083 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -11.040 -2.684 -7.119 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -11.829 -2.876 -8.673 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.842 -1.104 -7.205 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.559 0.749 -10.931 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -7.899 0.475 -9.037 1.00 0.00 H new ATOM 429 N LYS A 28 -13.852 -3.173 -5.936 1.00 0.00 N ATOM 430 CA LYS A 28 -14.785 -4.237 -5.511 1.00 0.00 C ATOM 431 C LYS A 28 -14.541 -5.558 -6.247 1.00 0.00 C ATOM 432 O LYS A 28 -15.336 -6.507 -6.158 1.00 0.00 O ATOM 433 CB LYS A 28 -16.247 -3.767 -5.574 1.00 0.00 C ATOM 434 CG LYS A 28 -16.542 -2.676 -4.573 1.00 0.00 C ATOM 435 CD LYS A 28 -17.922 -2.088 -4.736 1.00 0.00 C ATOM 436 CE LYS A 28 -18.167 -1.021 -3.687 1.00 0.00 C ATOM 437 NZ LYS A 28 -19.436 -0.313 -3.907 1.00 0.00 N ATOM 0 H LYS A 28 -13.177 -2.924 -5.213 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.577 -4.449 -4.462 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.467 -3.405 -6.578 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.907 -4.615 -5.389 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.440 -3.078 -3.565 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.800 -1.884 -4.677 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.026 -1.659 -5.732 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.672 -2.874 -4.647 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.175 -1.480 -2.698 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.345 -0.305 -3.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -19.564 0.407 -3.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -19.420 0.147 -4.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -20.223 -0.992 -3.869 1.00 0.00 H new ATOM 451 N LYS A 29 -13.405 -5.622 -6.907 1.00 0.00 N ATOM 452 CA LYS A 29 -12.938 -6.789 -7.596 1.00 0.00 C ATOM 453 C LYS A 29 -11.542 -7.046 -7.124 1.00 0.00 C ATOM 454 O LYS A 29 -10.848 -6.099 -6.719 1.00 0.00 O ATOM 455 CB LYS A 29 -12.897 -6.626 -9.131 1.00 0.00 C ATOM 456 CG LYS A 29 -14.232 -6.451 -9.811 1.00 0.00 C ATOM 457 CD LYS A 29 -14.144 -6.753 -11.305 1.00 0.00 C ATOM 458 CE LYS A 29 -13.122 -5.894 -12.028 1.00 0.00 C ATOM 459 NZ LYS A 29 -12.934 -6.348 -13.421 1.00 0.00 N ATOM 0 H LYS A 29 -12.764 -4.831 -6.977 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.629 -7.604 -7.380 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.274 -5.764 -9.369 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.406 -7.501 -9.557 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.966 -7.111 -9.348 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.584 -5.430 -9.665 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.889 -7.804 -11.443 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.123 -6.601 -11.759 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.448 -4.854 -12.022 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.170 -5.933 -11.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.231 -5.743 -13.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.601 -7.333 -13.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.838 -6.288 -13.931 1.00 0.00 H new ATOM 473 N PRO A 30 -11.109 -8.299 -7.128 1.00 0.00 N ATOM 474 CA PRO A 30 -9.759 -8.648 -6.746 1.00 0.00 C ATOM 475 C PRO A 30 -8.760 -8.134 -7.762 1.00 0.00 C ATOM 476 O PRO A 30 -9.029 -8.115 -8.969 1.00 0.00 O ATOM 477 CB PRO A 30 -9.773 -10.171 -6.752 1.00 0.00 C ATOM 478 CG PRO A 30 -10.870 -10.535 -7.683 1.00 0.00 C ATOM 479 CD PRO A 30 -11.906 -9.486 -7.493 1.00 0.00 C ATOM 0 HA PRO A 30 -9.469 -8.220 -5.786 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.818 -10.574 -7.089 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.953 -10.569 -5.753 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.519 -10.560 -8.715 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -11.266 -11.525 -7.457 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.485 -9.320 -8.402 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.614 -9.754 -6.709 1.00 0.00 H new ATOM 487 N VAL A 31 -7.636 -7.718 -7.292 1.00 0.00 N ATOM 488 CA VAL A 31 -6.619 -7.206 -8.149 1.00 0.00 C ATOM 489 C VAL A 31 -5.358 -8.030 -7.909 1.00 0.00 C ATOM 490 O VAL A 31 -5.001 -8.299 -6.755 1.00 0.00 O ATOM 491 CB VAL A 31 -6.340 -5.687 -7.856 1.00 0.00 C ATOM 492 CG1 VAL A 31 -5.272 -5.125 -8.764 1.00 0.00 C ATOM 493 CG2 VAL A 31 -7.611 -4.851 -7.968 1.00 0.00 C ATOM 0 H VAL A 31 -7.393 -7.722 -6.301 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.939 -7.280 -9.189 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.978 -5.632 -6.829 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.110 -4.073 -8.528 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.343 -5.677 -8.618 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.591 -5.219 -9.802 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.379 -3.807 -7.759 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.016 -4.938 -8.976 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.347 -5.210 -7.249 1.00 0.00 H new ATOM 503 N PRO A 32 -4.715 -8.512 -8.981 1.00 0.00 N ATOM 504 CA PRO A 32 -3.449 -9.235 -8.884 1.00 0.00 C ATOM 505 C PRO A 32 -2.381 -8.374 -8.211 1.00 0.00 C ATOM 506 O PRO A 32 -2.427 -7.127 -8.302 1.00 0.00 O ATOM 507 CB PRO A 32 -3.081 -9.496 -10.344 1.00 0.00 C ATOM 508 CG PRO A 32 -4.374 -9.475 -11.066 1.00 0.00 C ATOM 509 CD PRO A 32 -5.206 -8.452 -10.366 1.00 0.00 C ATOM 0 HA PRO A 32 -3.524 -10.145 -8.288 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.403 -8.732 -10.724 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.578 -10.456 -10.460 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.233 -9.215 -12.115 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.853 -10.454 -11.042 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.073 -7.460 -10.798 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.269 -8.686 -10.427 1.00 0.00 H new ATOM 517 N PHE A 33 -1.410 -9.020 -7.578 1.00 0.00 N ATOM 518 CA PHE A 33 -0.384 -8.324 -6.810 1.00 0.00 C ATOM 519 C PHE A 33 0.408 -7.376 -7.712 1.00 0.00 C ATOM 520 O PHE A 33 0.758 -6.266 -7.327 1.00 0.00 O ATOM 521 CB PHE A 33 0.548 -9.329 -6.108 1.00 0.00 C ATOM 522 CG PHE A 33 1.460 -8.707 -5.075 1.00 0.00 C ATOM 523 CD1 PHE A 33 1.033 -8.557 -3.760 1.00 0.00 C ATOM 524 CD2 PHE A 33 2.736 -8.279 -5.409 1.00 0.00 C ATOM 525 CE1 PHE A 33 1.858 -7.996 -2.808 1.00 0.00 C ATOM 526 CE2 PHE A 33 3.563 -7.715 -4.458 1.00 0.00 C ATOM 527 CZ PHE A 33 3.122 -7.573 -3.155 1.00 0.00 C ATOM 0 H PHE A 33 -1.311 -10.035 -7.582 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.874 -7.729 -6.039 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.059 -10.096 -5.627 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.157 -9.830 -6.860 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.042 -8.884 -3.481 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.087 -8.388 -6.425 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.513 -7.888 -1.790 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.554 -7.385 -4.732 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.768 -7.131 -2.411 1.00 0.00 H new ATOM 537 N GLN A 34 0.632 -7.796 -8.920 1.00 0.00 N ATOM 538 CA GLN A 34 1.335 -6.990 -9.880 1.00 0.00 C ATOM 539 C GLN A 34 0.508 -5.804 -10.379 1.00 0.00 C ATOM 540 O GLN A 34 1.071 -4.753 -10.709 1.00 0.00 O ATOM 541 CB GLN A 34 1.858 -7.846 -11.020 1.00 0.00 C ATOM 542 CG GLN A 34 3.050 -8.712 -10.631 1.00 0.00 C ATOM 543 CD GLN A 34 4.396 -7.977 -10.688 1.00 0.00 C ATOM 544 OE1 GLN A 34 4.403 -6.678 -10.550 1.00 0.00 O flip ATOM 545 NE2 GLN A 34 5.430 -8.595 -10.915 1.00 0.00 N flip ATOM 0 H GLN A 34 0.334 -8.706 -9.271 1.00 0.00 H new ATOM 0 HA GLN A 34 2.193 -6.553 -9.368 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.054 -8.488 -11.380 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.144 -7.198 -11.849 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.897 -9.092 -9.621 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.091 -9.576 -11.294 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.405 -9.609 -11.020 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.315 -8.095 -10.999 1.00 0.00 H new ATOM 554 N GLU A 35 -0.821 -5.925 -10.398 1.00 0.00 N ATOM 555 CA GLU A 35 -1.614 -4.827 -10.871 1.00 0.00 C ATOM 556 C GLU A 35 -1.754 -3.810 -9.790 1.00 0.00 C ATOM 557 O GLU A 35 -1.674 -2.617 -10.056 1.00 0.00 O ATOM 558 CB GLU A 35 -2.975 -5.225 -11.415 1.00 0.00 C ATOM 559 CG GLU A 35 -2.936 -6.131 -12.622 1.00 0.00 C ATOM 560 CD GLU A 35 -4.238 -6.097 -13.371 1.00 0.00 C ATOM 561 OE1 GLU A 35 -5.241 -6.659 -12.899 1.00 0.00 O ATOM 562 OE2 GLU A 35 -4.295 -5.452 -14.433 1.00 0.00 O ATOM 0 H GLU A 35 -1.342 -6.749 -10.099 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.080 -4.405 -11.722 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.535 -5.722 -10.623 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.525 -4.321 -11.675 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.125 -5.825 -13.283 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.722 -7.152 -12.306 1.00 0.00 H new ATOM 569 N LEU A 36 -1.909 -4.288 -8.547 1.00 0.00 N ATOM 570 CA LEU A 36 -2.021 -3.401 -7.398 1.00 0.00 C ATOM 571 C LEU A 36 -0.735 -2.616 -7.253 1.00 0.00 C ATOM 572 O LEU A 36 -0.745 -1.460 -6.888 1.00 0.00 O ATOM 573 CB LEU A 36 -2.398 -4.185 -6.085 1.00 0.00 C ATOM 574 CG LEU A 36 -1.349 -5.152 -5.442 1.00 0.00 C ATOM 575 CD1 LEU A 36 -0.262 -4.415 -4.668 1.00 0.00 C ATOM 576 CD2 LEU A 36 -2.011 -6.183 -4.545 1.00 0.00 C ATOM 0 H LEU A 36 -1.959 -5.281 -8.320 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.839 -2.700 -7.565 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.670 -3.447 -5.330 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.294 -4.768 -6.298 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.872 -5.665 -6.277 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.436 -5.137 -4.245 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.273 -3.744 -5.341 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.717 -3.836 -3.864 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.250 -6.836 -4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.547 -5.676 -3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.712 -6.778 -5.130 1.00 0.00 H new ATOM 588 N LEU A 37 0.364 -3.265 -7.596 1.00 0.00 N ATOM 589 CA LEU A 37 1.668 -2.670 -7.542 1.00 0.00 C ATOM 590 C LEU A 37 1.754 -1.498 -8.510 1.00 0.00 C ATOM 591 O LEU A 37 2.219 -0.422 -8.146 1.00 0.00 O ATOM 592 CB LEU A 37 2.728 -3.740 -7.822 1.00 0.00 C ATOM 593 CG LEU A 37 4.183 -3.288 -7.854 1.00 0.00 C ATOM 594 CD1 LEU A 37 4.535 -2.530 -6.598 1.00 0.00 C ATOM 595 CD2 LEU A 37 5.098 -4.489 -8.007 1.00 0.00 C ATOM 0 H LEU A 37 0.365 -4.231 -7.922 1.00 0.00 H new ATOM 0 HA LEU A 37 1.855 -2.270 -6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.632 -4.517 -7.063 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.497 -4.202 -8.782 1.00 0.00 H new ATOM 0 HG LEU A 37 4.317 -2.624 -8.708 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.578 -2.217 -6.642 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.896 -1.651 -6.512 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.386 -3.173 -5.731 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.136 -4.156 -8.029 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.952 -5.167 -7.166 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.864 -5.008 -8.936 1.00 0.00 H new ATOM 607 N ASN A 38 1.265 -1.697 -9.717 1.00 0.00 N ATOM 608 CA ASN A 38 1.221 -0.618 -10.702 1.00 0.00 C ATOM 609 C ASN A 38 0.258 0.486 -10.275 1.00 0.00 C ATOM 610 O ASN A 38 0.565 1.668 -10.424 1.00 0.00 O ATOM 611 CB ASN A 38 0.902 -1.142 -12.114 1.00 0.00 C ATOM 612 CG ASN A 38 2.112 -1.769 -12.790 1.00 0.00 C ATOM 613 OD1 ASN A 38 3.230 -1.342 -12.585 1.00 0.00 O ATOM 614 ND2 ASN A 38 1.906 -2.786 -13.572 1.00 0.00 N ATOM 0 H ASN A 38 0.893 -2.588 -10.045 1.00 0.00 H new ATOM 0 HA ASN A 38 2.218 -0.180 -10.747 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.102 -1.879 -12.052 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.532 -0.321 -12.728 1.00 0.00 H new ATOM 0 HD21 ASN A 38 2.693 -3.245 -14.030 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.957 -3.126 -13.728 1.00 0.00 H new ATOM 621 N GLU A 39 -0.885 0.091 -9.697 1.00 0.00 N ATOM 622 CA GLU A 39 -1.884 1.046 -9.182 1.00 0.00 C ATOM 623 C GLU A 39 -1.261 1.949 -8.122 1.00 0.00 C ATOM 624 O GLU A 39 -1.236 3.171 -8.258 1.00 0.00 O ATOM 625 CB GLU A 39 -3.062 0.307 -8.522 1.00 0.00 C ATOM 626 CG GLU A 39 -3.905 -0.560 -9.432 1.00 0.00 C ATOM 627 CD GLU A 39 -4.613 0.229 -10.487 1.00 0.00 C ATOM 628 OE1 GLU A 39 -5.682 0.783 -10.203 1.00 0.00 O ATOM 629 OE2 GLU A 39 -4.116 0.295 -11.627 1.00 0.00 O ATOM 0 H GLU A 39 -1.144 -0.888 -9.573 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.235 1.633 -10.031 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.668 -0.319 -7.722 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.712 1.047 -8.056 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.269 -1.306 -9.908 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.639 -1.101 -8.835 1.00 0.00 H new ATOM 636 N ILE A 40 -0.717 1.318 -7.095 1.00 0.00 N ATOM 637 CA ILE A 40 -0.160 2.009 -5.951 1.00 0.00 C ATOM 638 C ILE A 40 1.067 2.840 -6.346 1.00 0.00 C ATOM 639 O ILE A 40 1.196 3.979 -5.936 1.00 0.00 O ATOM 640 CB ILE A 40 0.183 1.006 -4.791 1.00 0.00 C ATOM 641 CG1 ILE A 40 -1.082 0.255 -4.344 1.00 0.00 C ATOM 642 CG2 ILE A 40 0.796 1.726 -3.595 1.00 0.00 C ATOM 643 CD1 ILE A 40 -0.838 -0.816 -3.294 1.00 0.00 C ATOM 0 H ILE A 40 -0.650 0.302 -7.034 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.920 2.697 -5.580 1.00 0.00 H new ATOM 0 HB ILE A 40 0.914 0.295 -5.176 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.798 0.976 -3.950 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.543 -0.207 -5.217 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.021 1.003 -2.811 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.715 2.225 -3.903 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.091 2.465 -3.215 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.783 -1.295 -3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.148 -1.562 -3.689 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.408 -0.360 -2.402 1.00 0.00 H new ATOM 655 N ALA A 41 1.929 2.291 -7.176 1.00 0.00 N ATOM 656 CA ALA A 41 3.136 3.006 -7.571 1.00 0.00 C ATOM 657 C ALA A 41 2.851 4.214 -8.447 1.00 0.00 C ATOM 658 O ALA A 41 3.629 5.140 -8.469 1.00 0.00 O ATOM 659 CB ALA A 41 4.139 2.094 -8.211 1.00 0.00 C ATOM 0 H ALA A 41 1.824 1.364 -7.589 1.00 0.00 H new ATOM 0 HA ALA A 41 3.573 3.389 -6.648 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.024 2.666 -8.491 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.420 1.311 -7.507 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.703 1.641 -9.102 1.00 0.00 H new ATOM 665 N SER A 42 1.800 4.161 -9.235 1.00 0.00 N ATOM 666 CA SER A 42 1.395 5.325 -9.996 1.00 0.00 C ATOM 667 C SER A 42 0.729 6.351 -9.074 1.00 0.00 C ATOM 668 O SER A 42 0.928 7.557 -9.235 1.00 0.00 O ATOM 669 CB SER A 42 0.488 4.929 -11.175 1.00 0.00 C ATOM 670 OG SER A 42 0.153 6.044 -12.001 1.00 0.00 O ATOM 0 H SER A 42 1.215 3.335 -9.366 1.00 0.00 H new ATOM 0 HA SER A 42 2.282 5.791 -10.426 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.989 4.171 -11.777 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.426 4.477 -10.791 1.00 0.00 H new ATOM 0 HG SER A 42 -0.422 5.745 -12.736 1.00 0.00 H new ATOM 676 N LEU A 43 -0.059 5.843 -8.126 1.00 0.00 N ATOM 677 CA LEU A 43 -0.783 6.650 -7.150 1.00 0.00 C ATOM 678 C LEU A 43 0.206 7.447 -6.297 1.00 0.00 C ATOM 679 O LEU A 43 0.068 8.655 -6.113 1.00 0.00 O ATOM 680 CB LEU A 43 -1.616 5.715 -6.269 1.00 0.00 C ATOM 681 CG LEU A 43 -2.517 6.359 -5.233 1.00 0.00 C ATOM 682 CD1 LEU A 43 -3.610 7.167 -5.899 1.00 0.00 C ATOM 683 CD2 LEU A 43 -3.106 5.297 -4.328 1.00 0.00 C ATOM 0 H LEU A 43 -0.213 4.841 -8.015 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.440 7.355 -7.659 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.237 5.100 -6.921 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.933 5.042 -5.751 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.921 7.042 -4.627 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.244 7.620 -5.136 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.162 7.950 -6.510 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.212 6.514 -6.530 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.752 5.768 -3.587 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.689 4.594 -4.923 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.302 4.763 -3.822 1.00 0.00 H new ATOM 695 N LEU A 44 1.191 6.758 -5.777 1.00 0.00 N ATOM 696 CA LEU A 44 2.259 7.405 -5.065 1.00 0.00 C ATOM 697 C LEU A 44 3.166 8.008 -6.089 1.00 0.00 C ATOM 698 O LEU A 44 3.651 7.303 -6.941 1.00 0.00 O ATOM 699 CB LEU A 44 3.096 6.411 -4.227 1.00 0.00 C ATOM 700 CG LEU A 44 2.536 5.873 -2.900 1.00 0.00 C ATOM 701 CD1 LEU A 44 1.233 5.137 -3.088 1.00 0.00 C ATOM 702 CD2 LEU A 44 3.560 4.951 -2.270 1.00 0.00 C ATOM 0 H LEU A 44 1.273 5.743 -5.835 1.00 0.00 H new ATOM 0 HA LEU A 44 1.828 8.140 -4.385 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.312 5.551 -4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.049 6.892 -4.007 1.00 0.00 H new ATOM 0 HG LEU A 44 2.335 6.724 -2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.877 4.776 -2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.493 5.812 -3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.386 4.291 -3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.171 4.565 -1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.766 4.121 -2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.481 5.504 -2.083 1.00 0.00 H new ATOM 714 N GLY A 45 3.357 9.293 -6.042 1.00 0.00 N ATOM 715 CA GLY A 45 4.302 9.939 -6.957 1.00 0.00 C ATOM 716 C GLY A 45 5.768 9.543 -6.686 1.00 0.00 C ATOM 717 O GLY A 45 6.567 10.361 -6.292 1.00 0.00 O ATOM 0 H GLY A 45 2.886 9.924 -5.394 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.044 9.676 -7.983 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.201 11.021 -6.870 1.00 0.00 H new ATOM 721 N VAL A 46 6.093 8.293 -6.891 1.00 0.00 N ATOM 722 CA VAL A 46 7.429 7.764 -6.665 1.00 0.00 C ATOM 723 C VAL A 46 7.844 6.868 -7.811 1.00 0.00 C ATOM 724 O VAL A 46 7.077 6.643 -8.765 1.00 0.00 O ATOM 725 CB VAL A 46 7.506 6.889 -5.364 1.00 0.00 C ATOM 726 CG1 VAL A 46 7.285 7.702 -4.115 1.00 0.00 C ATOM 727 CG2 VAL A 46 6.513 5.721 -5.422 1.00 0.00 C ATOM 0 H VAL A 46 5.430 7.594 -7.226 1.00 0.00 H new ATOM 0 HA VAL A 46 8.085 8.630 -6.572 1.00 0.00 H new ATOM 0 HB VAL A 46 8.518 6.486 -5.319 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.348 7.052 -3.242 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.048 8.477 -4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.299 8.165 -4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.589 5.133 -4.507 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.499 6.110 -5.520 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.744 5.089 -6.280 1.00 0.00 H new ATOM 737 N LYS A 47 9.051 6.373 -7.729 1.00 0.00 N ATOM 738 CA LYS A 47 9.473 5.340 -8.610 1.00 0.00 C ATOM 739 C LYS A 47 9.123 4.038 -7.907 1.00 0.00 C ATOM 740 O LYS A 47 9.256 3.960 -6.684 1.00 0.00 O ATOM 741 CB LYS A 47 10.982 5.442 -8.952 1.00 0.00 C ATOM 742 CG LYS A 47 11.988 5.260 -7.805 1.00 0.00 C ATOM 743 CD LYS A 47 13.409 5.377 -8.361 1.00 0.00 C ATOM 744 CE LYS A 47 14.513 5.028 -7.356 1.00 0.00 C ATOM 745 NZ LYS A 47 14.582 5.936 -6.187 1.00 0.00 N ATOM 0 H LYS A 47 9.754 6.676 -7.055 1.00 0.00 H new ATOM 0 HA LYS A 47 8.973 5.412 -9.576 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.204 4.696 -9.715 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.159 6.419 -9.401 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.822 6.015 -7.036 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.848 4.288 -7.333 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.502 4.722 -9.227 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.565 6.396 -8.714 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.357 4.009 -7.001 1.00 0.00 H new ATOM 0 HE3 LYS A 47 15.474 5.043 -7.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.569 6.220 -6.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.004 6.781 -6.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.221 5.445 -5.344 1.00 0.00 H new ATOM 759 N LYS A 48 8.646 3.050 -8.639 1.00 0.00 N ATOM 760 CA LYS A 48 8.162 1.807 -8.059 1.00 0.00 C ATOM 761 C LYS A 48 9.186 1.118 -7.165 1.00 0.00 C ATOM 762 O LYS A 48 8.811 0.466 -6.231 1.00 0.00 O ATOM 763 CB LYS A 48 7.657 0.861 -9.146 1.00 0.00 C ATOM 764 CG LYS A 48 7.060 -0.417 -8.605 1.00 0.00 C ATOM 765 CD LYS A 48 6.507 -1.357 -9.691 1.00 0.00 C ATOM 766 CE LYS A 48 5.310 -0.769 -10.468 1.00 0.00 C ATOM 767 NZ LYS A 48 5.703 0.188 -11.533 1.00 0.00 N ATOM 0 H LYS A 48 8.582 3.084 -9.656 1.00 0.00 H new ATOM 0 HA LYS A 48 7.328 2.076 -7.411 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.907 1.377 -9.746 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.483 0.613 -9.813 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.821 -0.948 -8.032 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.257 -0.166 -7.912 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.305 -1.594 -10.395 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.202 -2.295 -9.227 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.743 -1.585 -10.916 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.645 -0.266 -9.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.391 1.145 -11.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.737 0.179 -11.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.257 -0.089 -12.431 1.00 0.00 H new ATOM 781 N GLU A 49 10.459 1.334 -7.433 1.00 0.00 N ATOM 782 CA GLU A 49 11.556 0.730 -6.664 1.00 0.00 C ATOM 783 C GLU A 49 11.441 1.034 -5.141 1.00 0.00 C ATOM 784 O GLU A 49 11.663 0.145 -4.306 1.00 0.00 O ATOM 785 CB GLU A 49 12.887 1.199 -7.252 1.00 0.00 C ATOM 786 CG GLU A 49 12.973 0.896 -8.744 1.00 0.00 C ATOM 787 CD GLU A 49 14.222 1.387 -9.412 1.00 0.00 C ATOM 788 OE1 GLU A 49 14.339 2.596 -9.655 1.00 0.00 O ATOM 789 OE2 GLU A 49 15.081 0.558 -9.778 1.00 0.00 O ATOM 0 H GLU A 49 10.775 1.936 -8.193 1.00 0.00 H new ATOM 0 HA GLU A 49 11.496 -0.355 -6.747 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.001 2.271 -7.090 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.710 0.709 -6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.901 -0.182 -8.887 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.112 1.342 -9.242 1.00 0.00 H new ATOM 796 N GLU A 50 10.994 2.262 -4.800 1.00 0.00 N ATOM 797 CA GLU A 50 10.780 2.672 -3.386 1.00 0.00 C ATOM 798 C GLU A 50 9.760 1.727 -2.779 1.00 0.00 C ATOM 799 O GLU A 50 9.940 1.105 -1.710 1.00 0.00 O ATOM 800 CB GLU A 50 10.136 4.072 -3.331 1.00 0.00 C ATOM 801 CG GLU A 50 10.774 5.120 -4.203 1.00 0.00 C ATOM 802 CD GLU A 50 12.189 5.404 -3.837 1.00 0.00 C ATOM 803 OE1 GLU A 50 12.429 6.285 -3.003 1.00 0.00 O ATOM 804 OE2 GLU A 50 13.083 4.785 -4.414 1.00 0.00 O ATOM 0 H GLU A 50 10.773 2.989 -5.480 1.00 0.00 H new ATOM 0 HA GLU A 50 11.737 2.662 -2.865 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.087 3.980 -3.613 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.159 4.422 -2.299 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.733 4.793 -5.242 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.196 6.041 -4.135 1.00 0.00 H new ATOM 811 N LEU A 51 8.701 1.591 -3.528 1.00 0.00 N ATOM 812 CA LEU A 51 7.583 0.820 -3.153 1.00 0.00 C ATOM 813 C LEU A 51 7.893 -0.674 -3.305 1.00 0.00 C ATOM 814 O LEU A 51 7.207 -1.466 -2.784 1.00 0.00 O ATOM 815 CB LEU A 51 6.372 1.227 -4.001 1.00 0.00 C ATOM 816 CG LEU A 51 5.033 0.582 -3.660 1.00 0.00 C ATOM 817 CD1 LEU A 51 4.505 1.052 -2.325 1.00 0.00 C ATOM 818 CD2 LEU A 51 4.033 0.812 -4.758 1.00 0.00 C ATOM 0 H LEU A 51 8.604 2.034 -4.442 1.00 0.00 H new ATOM 0 HA LEU A 51 7.348 1.005 -2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.255 2.308 -3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.599 1.003 -5.043 1.00 0.00 H new ATOM 0 HG LEU A 51 5.199 -0.492 -3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.550 0.568 -2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.217 0.794 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.367 2.133 -2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.086 0.343 -4.492 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.882 1.883 -4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.405 0.378 -5.686 1.00 0.00 H new ATOM 830 N GLY A 52 8.956 -1.012 -4.022 1.00 0.00 N ATOM 831 CA GLY A 52 9.370 -2.398 -4.196 1.00 0.00 C ATOM 832 C GLY A 52 9.898 -2.959 -2.902 1.00 0.00 C ATOM 833 O GLY A 52 9.555 -4.082 -2.498 1.00 0.00 O ATOM 0 H GLY A 52 9.554 -0.336 -4.498 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.525 -2.995 -4.540 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.139 -2.460 -4.966 1.00 0.00 H new ATOM 837 N ASP A 53 10.694 -2.157 -2.225 1.00 0.00 N ATOM 838 CA ASP A 53 11.211 -2.513 -0.890 1.00 0.00 C ATOM 839 C ASP A 53 10.046 -2.596 0.060 1.00 0.00 C ATOM 840 O ASP A 53 9.894 -3.544 0.866 1.00 0.00 O ATOM 841 CB ASP A 53 12.187 -1.452 -0.378 1.00 0.00 C ATOM 842 CG ASP A 53 13.487 -1.415 -1.128 1.00 0.00 C ATOM 843 OD1 ASP A 53 14.393 -2.195 -0.795 1.00 0.00 O ATOM 844 OD2 ASP A 53 13.644 -0.595 -2.041 1.00 0.00 O ATOM 0 H ASP A 53 11.006 -1.248 -2.566 1.00 0.00 H new ATOM 0 HA ASP A 53 11.737 -3.465 -0.956 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.712 -0.473 -0.443 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.391 -1.638 0.676 1.00 0.00 H new ATOM 849 N ARG A 54 9.186 -1.622 -0.081 1.00 0.00 N ATOM 850 CA ARG A 54 7.970 -1.540 0.676 1.00 0.00 C ATOM 851 C ARG A 54 7.019 -2.710 0.322 1.00 0.00 C ATOM 852 O ARG A 54 6.150 -3.030 1.085 1.00 0.00 O ATOM 853 CB ARG A 54 7.344 -0.170 0.433 1.00 0.00 C ATOM 854 CG ARG A 54 6.002 0.100 1.084 1.00 0.00 C ATOM 855 CD ARG A 54 5.669 1.579 0.972 1.00 0.00 C ATOM 856 NE ARG A 54 6.493 2.377 1.881 1.00 0.00 N ATOM 857 CZ ARG A 54 7.073 3.547 1.602 1.00 0.00 C ATOM 858 NH1 ARG A 54 6.818 4.174 0.455 1.00 0.00 N ATOM 859 NH2 ARG A 54 7.877 4.113 2.492 1.00 0.00 N ATOM 0 H ARG A 54 9.315 -0.852 -0.737 1.00 0.00 H new ATOM 0 HA ARG A 54 8.176 -1.639 1.742 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.046 0.589 0.778 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.232 -0.035 -0.643 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.226 -0.495 0.602 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.028 -0.199 2.132 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.826 1.913 -0.054 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.615 1.735 1.200 1.00 0.00 H new ATOM 0 HE ARG A 54 6.638 2.003 2.819 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.174 3.761 -0.220 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.266 5.067 0.252 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.051 3.655 3.386 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.322 5.007 2.282 1.00 0.00 H new ATOM 873 N ILE A 55 7.226 -3.339 -0.834 1.00 0.00 N ATOM 874 CA ILE A 55 6.454 -4.496 -1.265 1.00 0.00 C ATOM 875 C ILE A 55 6.882 -5.732 -0.508 1.00 0.00 C ATOM 876 O ILE A 55 6.056 -6.572 -0.193 1.00 0.00 O ATOM 877 CB ILE A 55 6.456 -4.709 -2.834 1.00 0.00 C ATOM 878 CG1 ILE A 55 5.097 -4.365 -3.438 1.00 0.00 C ATOM 879 CG2 ILE A 55 6.850 -6.124 -3.256 1.00 0.00 C ATOM 880 CD1 ILE A 55 4.658 -2.940 -3.265 1.00 0.00 C ATOM 0 H ILE A 55 7.942 -3.054 -1.502 1.00 0.00 H new ATOM 0 HA ILE A 55 5.412 -4.294 -1.017 1.00 0.00 H new ATOM 0 HB ILE A 55 7.217 -4.029 -3.217 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.124 -4.592 -4.504 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.345 -5.016 -2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.830 -6.198 -4.343 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.855 -6.345 -2.896 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.147 -6.840 -2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.682 -2.801 -3.729 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.591 -2.706 -2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.382 -2.276 -3.737 1.00 0.00 H new ATOM 892 N ALA A 56 8.170 -5.824 -0.197 1.00 0.00 N ATOM 893 CA ALA A 56 8.672 -6.911 0.638 1.00 0.00 C ATOM 894 C ALA A 56 7.976 -6.831 1.990 1.00 0.00 C ATOM 895 O ALA A 56 7.377 -7.822 2.495 1.00 0.00 O ATOM 896 CB ALA A 56 10.178 -6.794 0.805 1.00 0.00 C ATOM 0 H ALA A 56 8.883 -5.164 -0.508 1.00 0.00 H new ATOM 0 HA ALA A 56 8.463 -7.873 0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.539 -7.611 1.430 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.658 -6.845 -0.172 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.419 -5.842 1.278 1.00 0.00 H new ATOM 902 N GLN A 57 7.962 -5.612 2.534 1.00 0.00 N ATOM 903 CA GLN A 57 7.280 -5.358 3.791 1.00 0.00 C ATOM 904 C GLN A 57 5.781 -5.584 3.592 1.00 0.00 C ATOM 905 O GLN A 57 5.099 -6.036 4.477 1.00 0.00 O ATOM 906 CB GLN A 57 7.530 -3.918 4.261 1.00 0.00 C ATOM 907 CG GLN A 57 7.868 -3.782 5.752 1.00 0.00 C ATOM 908 CD GLN A 57 6.775 -4.185 6.739 1.00 0.00 C ATOM 909 OE1 GLN A 57 5.537 -3.940 6.416 1.00 0.00 O flip ATOM 910 NE2 GLN A 57 7.072 -4.671 7.826 1.00 0.00 N flip ATOM 0 H GLN A 57 8.413 -4.795 2.122 1.00 0.00 H new ATOM 0 HA GLN A 57 7.664 -6.037 4.552 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.348 -3.496 3.677 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.644 -3.321 4.047 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.752 -4.385 5.958 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.138 -2.744 5.947 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.050 -4.853 8.053 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.341 -4.893 8.502 1.00 0.00 H new ATOM 919 N PHE A 58 5.300 -5.281 2.400 1.00 0.00 N ATOM 920 CA PHE A 58 3.905 -5.427 2.059 1.00 0.00 C ATOM 921 C PHE A 58 3.498 -6.881 2.114 1.00 0.00 C ATOM 922 O PHE A 58 2.461 -7.163 2.607 1.00 0.00 O ATOM 923 CB PHE A 58 3.581 -4.785 0.694 1.00 0.00 C ATOM 924 CG PHE A 58 2.114 -4.679 0.356 1.00 0.00 C ATOM 925 CD1 PHE A 58 1.185 -4.300 1.320 1.00 0.00 C ATOM 926 CD2 PHE A 58 1.665 -4.957 -0.924 1.00 0.00 C ATOM 927 CE1 PHE A 58 -0.153 -4.202 1.013 1.00 0.00 C ATOM 928 CE2 PHE A 58 0.323 -4.859 -1.232 1.00 0.00 C ATOM 929 CZ PHE A 58 -0.585 -4.481 -0.264 1.00 0.00 C ATOM 0 H PHE A 58 5.876 -4.924 1.638 1.00 0.00 H new ATOM 0 HA PHE A 58 3.315 -4.888 2.800 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.014 -3.785 0.671 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.075 -5.364 -0.086 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.519 -4.080 2.323 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.370 -5.253 -1.687 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.862 -3.907 1.772 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.017 -5.079 -2.233 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.634 -4.404 -0.508 1.00 0.00 H new ATOM 939 N TYR A 59 4.344 -7.802 1.631 1.00 0.00 N ATOM 940 CA TYR A 59 4.053 -9.239 1.768 1.00 0.00 C ATOM 941 C TYR A 59 3.841 -9.578 3.231 1.00 0.00 C ATOM 942 O TYR A 59 2.833 -10.176 3.594 1.00 0.00 O ATOM 943 CB TYR A 59 5.173 -10.134 1.219 1.00 0.00 C ATOM 944 CG TYR A 59 5.287 -10.220 -0.284 1.00 0.00 C ATOM 945 CD1 TYR A 59 4.415 -11.011 -1.018 1.00 0.00 C ATOM 946 CD2 TYR A 59 6.281 -9.548 -0.961 1.00 0.00 C ATOM 947 CE1 TYR A 59 4.536 -11.119 -2.389 1.00 0.00 C ATOM 948 CE2 TYR A 59 6.415 -9.650 -2.327 1.00 0.00 C ATOM 949 CZ TYR A 59 5.543 -10.435 -3.037 1.00 0.00 C ATOM 950 OH TYR A 59 5.680 -10.545 -4.403 1.00 0.00 O ATOM 0 H TYR A 59 5.218 -7.586 1.151 1.00 0.00 H new ATOM 0 HA TYR A 59 3.155 -9.432 1.182 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.123 -9.774 1.614 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.028 -11.141 1.609 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.630 -11.550 -0.509 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.970 -8.927 -0.408 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.848 -11.734 -2.949 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.202 -9.115 -2.837 1.00 0.00 H new ATOM 0 HH TYR A 59 5.152 -9.846 -4.842 1.00 0.00 H new ATOM 960 N THR A 60 4.773 -9.143 4.056 1.00 0.00 N ATOM 961 CA THR A 60 4.711 -9.363 5.495 1.00 0.00 C ATOM 962 C THR A 60 3.413 -8.758 6.119 1.00 0.00 C ATOM 963 O THR A 60 2.609 -9.467 6.750 1.00 0.00 O ATOM 964 CB THR A 60 5.960 -8.718 6.123 1.00 0.00 C ATOM 965 OG1 THR A 60 7.126 -9.307 5.535 1.00 0.00 O ATOM 966 CG2 THR A 60 5.994 -8.878 7.635 1.00 0.00 C ATOM 0 H THR A 60 5.598 -8.626 3.751 1.00 0.00 H new ATOM 0 HA THR A 60 4.685 -10.434 5.697 1.00 0.00 H new ATOM 0 HB THR A 60 5.931 -7.647 5.922 1.00 0.00 H new ATOM 0 HG1 THR A 60 7.929 -8.903 5.926 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.894 -8.407 8.031 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.114 -8.404 8.071 1.00 0.00 H new ATOM 0 HG23 THR A 60 5.998 -9.938 7.889 1.00 0.00 H new ATOM 974 N ASP A 61 3.209 -7.482 5.865 1.00 0.00 N ATOM 975 CA ASP A 61 2.106 -6.679 6.412 1.00 0.00 C ATOM 976 C ASP A 61 0.749 -7.228 5.948 1.00 0.00 C ATOM 977 O ASP A 61 -0.174 -7.419 6.738 1.00 0.00 O ATOM 978 CB ASP A 61 2.287 -5.225 5.918 1.00 0.00 C ATOM 979 CG ASP A 61 1.382 -4.206 6.580 1.00 0.00 C ATOM 980 OD1 ASP A 61 0.229 -4.052 6.172 1.00 0.00 O ATOM 981 OD2 ASP A 61 1.840 -3.494 7.495 1.00 0.00 O ATOM 0 H ASP A 61 3.822 -6.945 5.251 1.00 0.00 H new ATOM 0 HA ASP A 61 2.124 -6.719 7.501 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.323 -4.928 6.081 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.113 -5.198 4.842 1.00 0.00 H new ATOM 986 N LEU A 62 0.677 -7.538 4.684 1.00 0.00 N ATOM 987 CA LEU A 62 -0.536 -7.994 4.033 1.00 0.00 C ATOM 988 C LEU A 62 -0.891 -9.423 4.455 1.00 0.00 C ATOM 989 O LEU A 62 -2.057 -9.747 4.644 1.00 0.00 O ATOM 990 CB LEU A 62 -0.310 -7.917 2.521 1.00 0.00 C ATOM 991 CG LEU A 62 -1.467 -8.177 1.584 1.00 0.00 C ATOM 992 CD1 LEU A 62 -2.557 -7.165 1.809 1.00 0.00 C ATOM 993 CD2 LEU A 62 -0.974 -8.091 0.156 1.00 0.00 C ATOM 0 H LEU A 62 1.478 -7.482 4.054 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.374 -7.361 4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.074 -6.922 2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.479 -8.627 2.272 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.871 -9.171 1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.384 -7.364 1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.910 -7.233 2.838 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.168 -6.164 1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.803 -8.277 -0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.568 -7.097 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.196 -8.837 -0.006 1.00 0.00 H new ATOM 1005 N ASN A 63 0.123 -10.265 4.640 1.00 0.00 N ATOM 1006 CA ASN A 63 -0.110 -11.679 4.973 1.00 0.00 C ATOM 1007 C ASN A 63 -0.689 -11.825 6.385 1.00 0.00 C ATOM 1008 O ASN A 63 -1.419 -12.773 6.673 1.00 0.00 O ATOM 1009 CB ASN A 63 1.187 -12.511 4.850 1.00 0.00 C ATOM 1010 CG ASN A 63 0.939 -14.025 4.810 1.00 0.00 C ATOM 1011 OD1 ASN A 63 0.837 -14.695 5.846 1.00 0.00 O ATOM 1012 ND2 ASN A 63 0.897 -14.578 3.616 1.00 0.00 N ATOM 0 H ASN A 63 1.106 -10.002 4.567 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.834 -12.062 4.254 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.716 -12.213 3.945 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.840 -12.279 5.692 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.777 -15.587 3.525 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.984 -13.998 2.782 1.00 0.00 H new ATOM 1019 N ILE A 64 -0.395 -10.869 7.262 1.00 0.00 N ATOM 1020 CA ILE A 64 -0.888 -10.938 8.635 1.00 0.00 C ATOM 1021 C ILE A 64 -2.195 -10.160 8.839 1.00 0.00 C ATOM 1022 O ILE A 64 -2.717 -10.079 9.956 1.00 0.00 O ATOM 1023 CB ILE A 64 0.206 -10.569 9.712 1.00 0.00 C ATOM 1024 CG1 ILE A 64 0.826 -9.155 9.527 1.00 0.00 C ATOM 1025 CG2 ILE A 64 1.304 -11.623 9.737 1.00 0.00 C ATOM 1026 CD1 ILE A 64 -0.052 -7.991 9.959 1.00 0.00 C ATOM 0 H ILE A 64 0.174 -10.049 7.052 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.126 -11.988 8.802 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.315 -10.549 10.669 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.759 -9.111 10.088 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.080 -9.024 8.475 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.050 -11.354 10.485 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.873 -12.592 9.988 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.777 -11.679 8.756 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.476 -7.053 9.787 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.976 -7.998 9.381 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.287 -8.086 11.019 1.00 0.00 H new ATOM 1038 N ASP A 65 -2.732 -9.634 7.764 1.00 0.00 N ATOM 1039 CA ASP A 65 -3.986 -8.875 7.801 1.00 0.00 C ATOM 1040 C ASP A 65 -5.187 -9.833 7.607 1.00 0.00 C ATOM 1041 O ASP A 65 -5.046 -10.880 6.966 1.00 0.00 O ATOM 1042 CB ASP A 65 -3.958 -7.776 6.721 1.00 0.00 C ATOM 1043 CG ASP A 65 -5.252 -7.010 6.619 1.00 0.00 C ATOM 1044 OD1 ASP A 65 -6.143 -7.476 5.928 1.00 0.00 O ATOM 1045 OD2 ASP A 65 -5.407 -5.932 7.266 1.00 0.00 O ATOM 0 H ASP A 65 -2.322 -9.713 6.833 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.098 -8.392 8.772 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.148 -7.080 6.941 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.735 -8.230 5.756 1.00 0.00 H new ATOM 1050 N GLY A 66 -6.339 -9.505 8.189 1.00 0.00 N ATOM 1051 CA GLY A 66 -7.500 -10.387 8.107 1.00 0.00 C ATOM 1052 C GLY A 66 -8.648 -9.829 7.266 1.00 0.00 C ATOM 1053 O GLY A 66 -9.683 -10.495 7.076 1.00 0.00 O ATOM 0 H GLY A 66 -6.492 -8.645 8.716 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.188 -11.343 7.688 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.865 -10.585 9.115 1.00 0.00 H new ATOM 1057 N ARG A 67 -8.483 -8.635 6.756 1.00 0.00 N ATOM 1058 CA ARG A 67 -9.508 -8.023 5.928 1.00 0.00 C ATOM 1059 C ARG A 67 -9.183 -8.282 4.469 1.00 0.00 C ATOM 1060 O ARG A 67 -10.081 -8.373 3.607 1.00 0.00 O ATOM 1061 CB ARG A 67 -9.702 -6.517 6.263 1.00 0.00 C ATOM 1062 CG ARG A 67 -8.424 -5.720 6.289 1.00 0.00 C ATOM 1063 CD ARG A 67 -8.591 -4.325 6.841 1.00 0.00 C ATOM 1064 NE ARG A 67 -7.275 -3.730 7.149 1.00 0.00 N ATOM 1065 CZ ARG A 67 -7.039 -2.423 7.404 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -8.017 -1.518 7.263 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -5.831 -2.031 7.809 1.00 0.00 N ATOM 0 H ARG A 67 -7.651 -8.062 6.896 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.474 -8.480 6.142 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -10.376 -6.077 5.528 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.190 -6.432 7.234 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.686 -6.253 6.889 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.026 -5.655 5.276 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.118 -3.702 6.118 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.203 -4.355 7.742 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.473 -4.360 7.171 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.946 -1.813 6.962 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.833 -0.534 7.457 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.085 -2.717 7.926 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.653 -1.045 8.001 1.00 0.00 H new ATOM 1081 N PHE A 68 -7.912 -8.432 4.206 1.00 0.00 N ATOM 1082 CA PHE A 68 -7.421 -8.815 2.926 1.00 0.00 C ATOM 1083 C PHE A 68 -7.425 -10.302 2.785 1.00 0.00 C ATOM 1084 O PHE A 68 -7.184 -11.036 3.733 1.00 0.00 O ATOM 1085 CB PHE A 68 -6.029 -8.289 2.687 1.00 0.00 C ATOM 1086 CG PHE A 68 -6.006 -7.162 1.738 1.00 0.00 C ATOM 1087 CD1 PHE A 68 -5.865 -7.407 0.387 1.00 0.00 C ATOM 1088 CD2 PHE A 68 -6.133 -5.868 2.173 1.00 0.00 C ATOM 1089 CE1 PHE A 68 -5.852 -6.384 -0.511 1.00 0.00 C ATOM 1090 CE2 PHE A 68 -6.117 -4.837 1.277 1.00 0.00 C ATOM 1091 CZ PHE A 68 -5.978 -5.098 -0.068 1.00 0.00 C ATOM 0 H PHE A 68 -7.178 -8.286 4.899 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.086 -8.379 2.180 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.597 -7.970 3.635 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.401 -9.094 2.305 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -5.764 -8.424 0.038 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.246 -5.663 3.227 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.743 -6.588 -1.566 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.213 -3.818 1.623 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.969 -4.282 -0.776 1.00 0.00 H new ATOM 1101 N LEU A 69 -7.698 -10.737 1.618 1.00 0.00 N ATOM 1102 CA LEU A 69 -7.759 -12.116 1.324 1.00 0.00 C ATOM 1103 C LEU A 69 -7.121 -12.362 -0.012 1.00 0.00 C ATOM 1104 O LEU A 69 -7.487 -11.709 -0.991 1.00 0.00 O ATOM 1105 CB LEU A 69 -9.227 -12.548 1.273 1.00 0.00 C ATOM 1106 CG LEU A 69 -9.518 -13.991 0.876 1.00 0.00 C ATOM 1107 CD1 LEU A 69 -8.934 -14.953 1.881 1.00 0.00 C ATOM 1108 CD2 LEU A 69 -11.007 -14.199 0.746 1.00 0.00 C ATOM 0 H LEU A 69 -7.890 -10.132 0.820 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.233 -12.685 2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.664 -12.374 2.256 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.747 -11.894 0.573 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.049 -14.187 -0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.155 -15.976 1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.854 -14.815 1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.371 -14.764 2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.207 -15.232 0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.489 -13.985 1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.402 -13.530 -0.018 1.00 0.00 H new ATOM 1120 N ALA A 70 -6.147 -13.241 -0.066 1.00 0.00 N ATOM 1121 CA ALA A 70 -5.647 -13.652 -1.343 1.00 0.00 C ATOM 1122 C ALA A 70 -6.554 -14.703 -1.799 1.00 0.00 C ATOM 1123 O ALA A 70 -6.829 -15.668 -1.056 1.00 0.00 O ATOM 1124 CB ALA A 70 -4.226 -14.216 -1.313 1.00 0.00 C ATOM 0 H ALA A 70 -5.699 -13.672 0.742 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.603 -12.780 -1.996 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.927 -14.502 -2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.542 -13.458 -0.933 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.195 -15.091 -0.663 1.00 0.00 H new ATOM 1130 N LEU A 71 -7.078 -14.528 -2.945 1.00 0.00 N ATOM 1131 CA LEU A 71 -7.891 -15.519 -3.506 1.00 0.00 C ATOM 1132 C LEU A 71 -6.942 -16.638 -3.981 1.00 0.00 C ATOM 1133 O LEU A 71 -5.705 -16.488 -3.890 1.00 0.00 O ATOM 1134 CB LEU A 71 -8.746 -14.934 -4.644 1.00 0.00 C ATOM 1135 CG LEU A 71 -9.420 -13.553 -4.391 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -10.432 -13.259 -5.454 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -10.044 -13.406 -3.003 1.00 0.00 C ATOM 0 H LEU A 71 -6.954 -13.694 -3.519 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.604 -15.923 -2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.115 -14.845 -5.529 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.529 -15.654 -4.882 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.615 -12.819 -4.435 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.892 -12.290 -5.260 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.942 -13.240 -6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.200 -14.033 -5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.492 -12.417 -2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.813 -14.167 -2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.273 -13.530 -2.243 1.00 0.00 H new ATOM 1149 N SER A 72 -7.467 -17.700 -4.508 1.00 0.00 N ATOM 1150 CA SER A 72 -6.660 -18.871 -4.824 1.00 0.00 C ATOM 1151 C SER A 72 -5.557 -18.609 -5.870 1.00 0.00 C ATOM 1152 O SER A 72 -4.602 -19.379 -5.978 1.00 0.00 O ATOM 1153 CB SER A 72 -7.567 -19.984 -5.262 1.00 0.00 C ATOM 1154 OG SER A 72 -8.554 -20.239 -4.255 1.00 0.00 O ATOM 0 H SER A 72 -8.457 -17.795 -4.735 1.00 0.00 H new ATOM 0 HA SER A 72 -6.126 -19.151 -3.916 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.054 -19.719 -6.201 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.985 -20.886 -5.448 1.00 0.00 H new ATOM 0 HG SER A 72 -9.142 -20.965 -4.550 1.00 0.00 H new ATOM 1160 N ASP A 73 -5.669 -17.522 -6.605 1.00 0.00 N ATOM 1161 CA ASP A 73 -4.683 -17.197 -7.630 1.00 0.00 C ATOM 1162 C ASP A 73 -3.711 -16.141 -7.170 1.00 0.00 C ATOM 1163 O ASP A 73 -3.006 -15.538 -7.988 1.00 0.00 O ATOM 1164 CB ASP A 73 -5.333 -16.783 -8.952 1.00 0.00 C ATOM 1165 CG ASP A 73 -6.087 -17.890 -9.633 1.00 0.00 C ATOM 1166 OD1 ASP A 73 -5.475 -18.636 -10.418 1.00 0.00 O ATOM 1167 OD2 ASP A 73 -7.316 -18.016 -9.417 1.00 0.00 O ATOM 0 H ASP A 73 -6.428 -16.847 -6.517 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.124 -18.116 -7.807 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.015 -15.953 -8.766 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.560 -16.415 -9.626 1.00 0.00 H new ATOM 1172 N GLN A 74 -3.646 -15.938 -5.853 1.00 0.00 N ATOM 1173 CA GLN A 74 -2.753 -14.948 -5.201 1.00 0.00 C ATOM 1174 C GLN A 74 -3.233 -13.543 -5.457 1.00 0.00 C ATOM 1175 O GLN A 74 -2.641 -12.580 -5.003 1.00 0.00 O ATOM 1176 CB GLN A 74 -1.245 -15.078 -5.562 1.00 0.00 C ATOM 1177 CG GLN A 74 -0.513 -16.295 -4.980 1.00 0.00 C ATOM 1178 CD GLN A 74 -0.889 -17.629 -5.601 1.00 0.00 C ATOM 1179 OE1 GLN A 74 -1.172 -17.640 -6.875 1.00 0.00 O flip ATOM 1180 NE2 GLN A 74 -0.864 -18.656 -4.933 1.00 0.00 N flip ATOM 0 H GLN A 74 -4.217 -16.460 -5.189 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.815 -15.178 -4.137 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.154 -15.110 -6.648 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.733 -14.177 -5.225 1.00 0.00 H new ATOM 0 HG2 GLN A 74 0.560 -16.146 -5.099 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.711 -16.341 -3.909 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.639 -18.613 -3.939 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.068 -19.554 -5.371 1.00 0.00 H new ATOM 1189 N THR A 75 -4.276 -13.459 -6.220 1.00 0.00 N ATOM 1190 CA THR A 75 -4.964 -12.257 -6.489 1.00 0.00 C ATOM 1191 C THR A 75 -5.527 -11.764 -5.166 1.00 0.00 C ATOM 1192 O THR A 75 -6.223 -12.509 -4.476 1.00 0.00 O ATOM 1193 CB THR A 75 -6.115 -12.585 -7.439 1.00 0.00 C ATOM 1194 OG1 THR A 75 -5.632 -13.498 -8.438 1.00 0.00 O ATOM 1195 CG2 THR A 75 -6.601 -11.338 -8.126 1.00 0.00 C ATOM 0 H THR A 75 -4.682 -14.269 -6.689 1.00 0.00 H new ATOM 0 HA THR A 75 -4.317 -11.502 -6.936 1.00 0.00 H new ATOM 0 HB THR A 75 -6.936 -13.022 -6.871 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.359 -13.721 -9.056 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.421 -11.589 -8.799 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.950 -10.624 -7.380 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.785 -10.896 -8.698 1.00 0.00 H new ATOM 1203 N TRP A 76 -5.250 -10.556 -4.808 1.00 0.00 N ATOM 1204 CA TRP A 76 -5.667 -10.097 -3.533 1.00 0.00 C ATOM 1205 C TRP A 76 -6.969 -9.395 -3.645 1.00 0.00 C ATOM 1206 O TRP A 76 -7.333 -8.885 -4.705 1.00 0.00 O ATOM 1207 CB TRP A 76 -4.608 -9.201 -2.873 1.00 0.00 C ATOM 1208 CG TRP A 76 -3.366 -9.941 -2.467 1.00 0.00 C ATOM 1209 CD1 TRP A 76 -2.252 -10.148 -3.220 1.00 0.00 C ATOM 1210 CD2 TRP A 76 -3.116 -10.572 -1.198 1.00 0.00 C ATOM 1211 NE1 TRP A 76 -1.329 -10.880 -2.511 1.00 0.00 N ATOM 1212 CE2 TRP A 76 -1.833 -11.151 -1.264 1.00 0.00 C ATOM 1213 CE3 TRP A 76 -3.854 -10.704 -0.015 1.00 0.00 C ATOM 1214 CZ2 TRP A 76 -1.271 -11.851 -0.189 1.00 0.00 C ATOM 1215 CZ3 TRP A 76 -3.297 -11.396 1.046 1.00 0.00 C ATOM 1216 CH2 TRP A 76 -2.019 -11.961 0.952 1.00 0.00 C ATOM 0 H TRP A 76 -4.742 -9.877 -5.375 1.00 0.00 H new ATOM 0 HA TRP A 76 -5.792 -10.966 -2.887 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.336 -8.403 -3.564 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -5.042 -8.726 -1.993 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -2.113 -9.789 -4.229 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -0.416 -11.174 -2.857 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.841 -10.273 0.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -0.285 -12.287 -0.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -3.858 -11.502 1.963 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.615 -12.496 1.799 1.00 0.00 H new ATOM 1227 N GLY A 77 -7.703 -9.468 -2.610 1.00 0.00 N ATOM 1228 CA GLY A 77 -8.922 -8.798 -2.528 1.00 0.00 C ATOM 1229 C GLY A 77 -9.346 -8.711 -1.118 1.00 0.00 C ATOM 1230 O GLY A 77 -8.525 -8.821 -0.214 1.00 0.00 O ATOM 0 H GLY A 77 -7.463 -10.009 -1.779 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.828 -7.798 -2.952 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.677 -9.323 -3.113 1.00 0.00 H new ATOM 1234 N LEU A 78 -10.595 -8.582 -0.910 1.00 0.00 N ATOM 1235 CA LEU A 78 -11.105 -8.438 0.410 1.00 0.00 C ATOM 1236 C LEU A 78 -11.854 -9.663 0.787 1.00 0.00 C ATOM 1237 O LEU A 78 -12.561 -10.252 -0.034 1.00 0.00 O ATOM 1238 CB LEU A 78 -11.999 -7.210 0.539 1.00 0.00 C ATOM 1239 CG LEU A 78 -11.348 -5.863 0.221 1.00 0.00 C ATOM 1240 CD1 LEU A 78 -12.350 -4.748 0.398 1.00 0.00 C ATOM 1241 CD2 LEU A 78 -10.119 -5.625 1.095 1.00 0.00 C ATOM 0 H LEU A 78 -11.302 -8.572 -1.645 1.00 0.00 H new ATOM 0 HA LEU A 78 -10.263 -8.299 1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.857 -7.340 -0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.384 -7.172 1.558 1.00 0.00 H new ATOM 0 HG LEU A 78 -11.019 -5.879 -0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.876 -3.793 0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.193 -4.906 -0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.706 -4.739 1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.677 -4.660 0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.412 -5.630 2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.389 -6.415 0.919 1.00 0.00 H new ATOM 1253 N ARG A 79 -11.703 -10.045 2.012 1.00 0.00 N ATOM 1254 CA ARG A 79 -12.356 -11.216 2.530 1.00 0.00 C ATOM 1255 C ARG A 79 -13.847 -10.995 2.651 1.00 0.00 C ATOM 1256 O ARG A 79 -14.626 -11.894 2.417 1.00 0.00 O ATOM 1257 CB ARG A 79 -11.762 -11.593 3.883 1.00 0.00 C ATOM 1258 CG ARG A 79 -12.519 -12.682 4.603 1.00 0.00 C ATOM 1259 CD ARG A 79 -11.830 -13.065 5.875 1.00 0.00 C ATOM 1260 NE ARG A 79 -12.643 -13.951 6.688 1.00 0.00 N ATOM 1261 CZ ARG A 79 -12.188 -14.657 7.711 1.00 0.00 C ATOM 1262 NH1 ARG A 79 -10.929 -14.520 8.109 1.00 0.00 N ATOM 1263 NH2 ARG A 79 -12.997 -15.484 8.352 1.00 0.00 N ATOM 0 H ARG A 79 -11.121 -9.555 2.691 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.192 -12.037 1.832 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.731 -11.916 3.739 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -11.733 -10.706 4.515 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.531 -12.342 4.822 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.609 -13.555 3.957 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -10.884 -13.553 5.642 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.593 -12.166 6.444 1.00 0.00 H new ATOM 0 HE ARG A 79 -13.632 -14.035 6.455 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -10.309 -13.869 7.626 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -10.581 -15.065 8.898 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -13.969 -15.577 8.058 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.649 -16.029 9.141 1.00 0.00 H new ATOM 1277 N SER A 80 -14.226 -9.765 2.918 1.00 0.00 N ATOM 1278 CA SER A 80 -15.607 -9.413 3.183 1.00 0.00 C ATOM 1279 C SER A 80 -16.537 -9.588 1.944 1.00 0.00 C ATOM 1280 O SER A 80 -17.752 -9.368 2.033 1.00 0.00 O ATOM 1281 CB SER A 80 -15.676 -7.984 3.764 1.00 0.00 C ATOM 1282 OG SER A 80 -16.984 -7.649 4.214 1.00 0.00 O ATOM 0 H SER A 80 -13.582 -8.975 2.958 1.00 0.00 H new ATOM 0 HA SER A 80 -15.990 -10.115 3.923 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.975 -7.897 4.594 1.00 0.00 H new ATOM 0 HB3 SER A 80 -15.361 -7.269 3.004 1.00 0.00 H new ATOM 0 HG SER A 80 -17.648 -8.045 3.612 1.00 0.00 H new ATOM 1288 N TRP A 81 -15.983 -10.000 0.818 1.00 0.00 N ATOM 1289 CA TRP A 81 -16.782 -10.224 -0.369 1.00 0.00 C ATOM 1290 C TRP A 81 -17.332 -11.633 -0.401 1.00 0.00 C ATOM 1291 O TRP A 81 -18.357 -11.883 -1.049 1.00 0.00 O ATOM 1292 CB TRP A 81 -15.966 -10.068 -1.636 1.00 0.00 C ATOM 1293 CG TRP A 81 -15.336 -8.752 -1.866 1.00 0.00 C ATOM 1294 CD1 TRP A 81 -15.806 -7.519 -1.512 1.00 0.00 C ATOM 1295 CD2 TRP A 81 -14.131 -8.543 -2.575 1.00 0.00 C ATOM 1296 NE1 TRP A 81 -14.944 -6.552 -1.947 1.00 0.00 N ATOM 1297 CE2 TRP A 81 -13.903 -7.154 -2.609 1.00 0.00 C ATOM 1298 CE3 TRP A 81 -13.209 -9.408 -3.187 1.00 0.00 C ATOM 1299 CZ2 TRP A 81 -12.794 -6.602 -3.230 1.00 0.00 C ATOM 1300 CZ3 TRP A 81 -12.115 -8.854 -3.801 1.00 0.00 C ATOM 1301 CH2 TRP A 81 -11.915 -7.463 -3.819 1.00 0.00 C ATOM 0 H TRP A 81 -14.987 -10.185 0.702 1.00 0.00 H new ATOM 0 HA TRP A 81 -17.581 -9.484 -0.327 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -15.181 -10.824 -1.629 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -16.613 -10.288 -2.485 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -16.722 -7.336 -0.970 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -15.056 -5.548 -1.803 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -13.357 -10.478 -3.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -12.632 -5.534 -3.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -11.393 -9.499 -4.280 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -11.041 -7.065 -4.313 1.00 0.00 H new ATOM 1312 N TYR A 82 -16.651 -12.545 0.271 1.00 0.00 N ATOM 1313 CA TYR A 82 -16.954 -13.961 0.165 1.00 0.00 C ATOM 1314 C TYR A 82 -16.836 -14.599 1.570 1.00 0.00 C ATOM 1315 O TYR A 82 -16.464 -13.916 2.511 1.00 0.00 O ATOM 1316 CB TYR A 82 -15.910 -14.633 -0.744 1.00 0.00 C ATOM 1317 CG TYR A 82 -15.562 -13.969 -2.069 1.00 0.00 C ATOM 1318 CD1 TYR A 82 -16.411 -14.019 -3.170 1.00 0.00 C ATOM 1319 CD2 TYR A 82 -14.335 -13.345 -2.221 1.00 0.00 C ATOM 1320 CE1 TYR A 82 -16.038 -13.450 -4.380 1.00 0.00 C ATOM 1321 CE2 TYR A 82 -13.949 -12.797 -3.409 1.00 0.00 C ATOM 1322 CZ TYR A 82 -14.800 -12.844 -4.494 1.00 0.00 C ATOM 1323 OH TYR A 82 -14.397 -12.307 -5.699 1.00 0.00 O ATOM 0 H TYR A 82 -15.879 -12.327 0.901 1.00 0.00 H new ATOM 0 HA TYR A 82 -17.957 -14.092 -0.241 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -14.988 -14.733 -0.171 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -16.261 -15.642 -0.961 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -17.371 -14.506 -3.082 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.665 -13.291 -1.376 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -16.709 -13.480 -5.226 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.980 -12.328 -3.500 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.502 -11.920 -5.602 1.00 0.00 H new