USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 828 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 66 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 84 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000479) USER MOD Set 2.1: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.0118 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -111:sc= -0.951 (180deg=-5.19!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot -9:sc= -1.24 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 119:sc= 1.1 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS :FLIP no HE2:sc= -7.62! C(o=-10!,f=-7.6!) USER MOD Single : A 33 ASN : amide:sc= -0.495 K(o=-0.49,f=-2) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0899 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN :FLIP amide:sc= -0.73 F(o=-1.4,f=-0.73) USER MOD Single : A 57 THR OG1 : rot -49:sc= -0.172! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc=-0.00582 X(o=-0.0058,f=0) USER MOD Single : A 68 SER OG : rot -51:sc= 0.0163 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -2.85! C(o=-2.9!,f=-7.1!) USER MOD Single : A 75 HIS :FLIP no HD1:sc= -3.74! F(o=-4.8,f=-3.7!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 163:sc= -0.0875 (180deg=-0.787) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -83:sc= -1.44 USER MOD Single : A 92 GLN : amide:sc= -0.235 X(o=-0.23,f=-0.1) USER MOD Single : A 99 GLN : amide:sc= -0.928 K(o=-0.93,f=-3.4!) USER MOD Single : A 102 THR OG1 : rot -40:sc= 0.519 USER MOD Single : A 104 SER OG : rot -39:sc= 0.663 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.482 -11.581 2.536 1.00 0.00 N ATOM 2 CA GLY A 1 -12.998 -10.782 3.634 1.00 0.00 C ATOM 3 C GLY A 1 -13.236 -11.644 4.876 1.00 0.00 C ATOM 4 O GLY A 1 -14.378 -11.841 5.289 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.329 -10.973 1.706 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.580 -12.016 2.817 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.167 -12.327 2.298 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.294 -9.984 3.870 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.931 -10.305 3.334 1.00 0.00 H new ATOM 8 N SER A 2 -12.140 -12.135 5.435 1.00 0.00 N ATOM 9 CA SER A 2 -12.215 -12.971 6.621 1.00 0.00 C ATOM 10 C SER A 2 -11.740 -12.187 7.846 1.00 0.00 C ATOM 11 O SER A 2 -11.047 -11.180 7.712 1.00 0.00 O ATOM 12 CB SER A 2 -11.384 -14.244 6.450 1.00 0.00 C ATOM 13 OG SER A 2 -11.682 -15.215 7.450 1.00 0.00 O ATOM 0 H SER A 2 -11.195 -11.970 5.089 1.00 0.00 H new ATOM 0 HA SER A 2 -13.254 -13.265 6.767 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.572 -14.670 5.464 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.324 -13.993 6.493 1.00 0.00 H new ATOM 0 HG SER A 2 -11.132 -16.013 7.305 1.00 0.00 H new ATOM 19 N SER A 3 -12.132 -12.679 9.012 1.00 0.00 N ATOM 20 CA SER A 3 -11.755 -12.036 10.260 1.00 0.00 C ATOM 21 C SER A 3 -12.418 -10.661 10.362 1.00 0.00 C ATOM 22 O SER A 3 -12.802 -10.077 9.350 1.00 0.00 O ATOM 23 CB SER A 3 -10.235 -11.903 10.373 1.00 0.00 C ATOM 24 OG SER A 3 -9.713 -12.652 11.467 1.00 0.00 O ATOM 0 H SER A 3 -12.707 -13.515 9.119 1.00 0.00 H new ATOM 0 HA SER A 3 -12.100 -12.660 11.084 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.772 -12.243 9.447 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.971 -10.852 10.494 1.00 0.00 H new ATOM 0 HG SER A 3 -8.740 -12.542 11.504 1.00 0.00 H new ATOM 30 N GLY A 4 -12.532 -10.185 11.593 1.00 0.00 N ATOM 31 CA GLY A 4 -13.142 -8.889 11.840 1.00 0.00 C ATOM 32 C GLY A 4 -12.358 -7.773 11.147 1.00 0.00 C ATOM 33 O GLY A 4 -11.280 -8.011 10.604 1.00 0.00 O ATOM 0 H GLY A 4 -12.213 -10.673 12.430 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.171 -8.893 11.480 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.180 -8.700 12.913 1.00 0.00 H new ATOM 37 N SER A 5 -12.930 -6.579 11.188 1.00 0.00 N ATOM 38 CA SER A 5 -12.298 -5.425 10.571 1.00 0.00 C ATOM 39 C SER A 5 -12.377 -4.220 11.512 1.00 0.00 C ATOM 40 O SER A 5 -13.381 -3.510 11.534 1.00 0.00 O ATOM 41 CB SER A 5 -12.951 -5.092 9.228 1.00 0.00 C ATOM 42 OG SER A 5 -12.681 -6.086 8.243 1.00 0.00 O ATOM 0 H SER A 5 -13.824 -6.385 11.639 1.00 0.00 H new ATOM 0 HA SER A 5 -11.251 -5.666 10.386 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.029 -4.998 9.362 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.588 -4.126 8.878 1.00 0.00 H new ATOM 0 HG SER A 5 -13.116 -5.838 7.401 1.00 0.00 H new ATOM 48 N SER A 6 -11.304 -4.027 12.265 1.00 0.00 N ATOM 49 CA SER A 6 -11.238 -2.921 13.204 1.00 0.00 C ATOM 50 C SER A 6 -10.961 -1.615 12.457 1.00 0.00 C ATOM 51 O SER A 6 -9.807 -1.278 12.195 1.00 0.00 O ATOM 52 CB SER A 6 -10.163 -3.163 14.266 1.00 0.00 C ATOM 53 OG SER A 6 -10.442 -4.317 15.054 1.00 0.00 O ATOM 0 H SER A 6 -10.473 -4.618 12.244 1.00 0.00 H new ATOM 0 HA SER A 6 -12.200 -2.845 13.710 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.194 -3.281 13.781 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.091 -2.290 14.914 1.00 0.00 H new ATOM 0 HG SER A 6 -9.732 -4.438 15.719 1.00 0.00 H new ATOM 59 N GLY A 7 -12.038 -0.915 12.134 1.00 0.00 N ATOM 60 CA GLY A 7 -11.926 0.346 11.422 1.00 0.00 C ATOM 61 C GLY A 7 -11.535 0.118 9.960 1.00 0.00 C ATOM 62 O GLY A 7 -11.440 -1.023 9.510 1.00 0.00 O ATOM 0 H GLY A 7 -12.993 -1.198 12.353 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.875 0.880 11.469 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.181 0.977 11.907 1.00 0.00 H new ATOM 66 N SER A 8 -11.319 1.221 9.259 1.00 0.00 N ATOM 67 CA SER A 8 -10.941 1.156 7.858 1.00 0.00 C ATOM 68 C SER A 8 -9.858 0.093 7.657 1.00 0.00 C ATOM 69 O SER A 8 -9.073 -0.177 8.564 1.00 0.00 O ATOM 70 CB SER A 8 -10.450 2.515 7.356 1.00 0.00 C ATOM 71 OG SER A 8 -11.291 3.580 7.790 1.00 0.00 O ATOM 0 H SER A 8 -11.399 2.166 9.636 1.00 0.00 H new ATOM 0 HA SER A 8 -11.823 0.882 7.278 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.434 2.687 7.712 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.409 2.506 6.267 1.00 0.00 H new ATOM 0 HG SER A 8 -10.943 4.431 7.450 1.00 0.00 H new ATOM 77 N THR A 9 -9.852 -0.481 6.463 1.00 0.00 N ATOM 78 CA THR A 9 -8.879 -1.508 6.132 1.00 0.00 C ATOM 79 C THR A 9 -7.460 -1.004 6.399 1.00 0.00 C ATOM 80 O THR A 9 -6.647 -1.711 6.993 1.00 0.00 O ATOM 81 CB THR A 9 -9.112 -1.929 4.680 1.00 0.00 C ATOM 82 OG1 THR A 9 -10.451 -2.417 4.670 1.00 0.00 O ATOM 83 CG2 THR A 9 -8.271 -3.143 4.280 1.00 0.00 C ATOM 0 H THR A 9 -10.505 -0.254 5.713 1.00 0.00 H new ATOM 0 HA THR A 9 -9.001 -2.388 6.764 1.00 0.00 H new ATOM 0 HB THR A 9 -8.881 -1.093 4.019 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.686 -2.710 3.765 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.474 -3.400 3.240 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.213 -2.907 4.395 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.525 -3.988 4.919 1.00 0.00 H new ATOM 91 N MET A 10 -7.204 0.215 5.946 1.00 0.00 N ATOM 92 CA MET A 10 -5.897 0.822 6.128 1.00 0.00 C ATOM 93 C MET A 10 -5.914 2.295 5.713 1.00 0.00 C ATOM 94 O MET A 10 -6.265 2.620 4.580 1.00 0.00 O ATOM 95 CB MET A 10 -4.862 0.068 5.291 1.00 0.00 C ATOM 96 CG MET A 10 -3.456 0.246 5.866 1.00 0.00 C ATOM 97 SD MET A 10 -2.686 -1.348 6.100 1.00 0.00 S ATOM 98 CE MET A 10 -1.934 -1.097 7.699 1.00 0.00 C ATOM 0 H MET A 10 -7.880 0.798 5.453 1.00 0.00 H new ATOM 0 HA MET A 10 -5.635 0.764 7.184 1.00 0.00 H new ATOM 0 HB2 MET A 10 -5.115 -0.992 5.262 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.887 0.430 4.263 1.00 0.00 H new ATOM 0 HG2 MET A 10 -2.853 0.855 5.192 1.00 0.00 H new ATOM 0 HG3 MET A 10 -3.507 0.777 6.816 1.00 0.00 H new ATOM 0 HE1 MET A 10 -0.850 -1.066 7.590 1.00 0.00 H new ATOM 0 HE2 MET A 10 -2.283 -0.155 8.122 1.00 0.00 H new ATOM 0 HE3 MET A 10 -2.209 -1.917 8.363 1.00 0.00 H new ATOM 108 N SER A 11 -5.531 3.146 6.653 1.00 0.00 N ATOM 109 CA SER A 11 -5.498 4.576 6.400 1.00 0.00 C ATOM 110 C SER A 11 -4.355 5.221 7.187 1.00 0.00 C ATOM 111 O SER A 11 -3.331 5.588 6.613 1.00 0.00 O ATOM 112 CB SER A 11 -6.831 5.232 6.766 1.00 0.00 C ATOM 113 OG SER A 11 -7.519 4.509 7.783 1.00 0.00 O ATOM 0 H SER A 11 -5.241 2.872 7.592 1.00 0.00 H new ATOM 0 HA SER A 11 -5.329 4.730 5.334 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.652 6.253 7.104 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.460 5.296 5.878 1.00 0.00 H new ATOM 0 HG SER A 11 -8.364 4.960 7.990 1.00 0.00 H new ATOM 119 N GLY A 12 -4.569 5.339 8.489 1.00 0.00 N ATOM 120 CA GLY A 12 -3.570 5.933 9.361 1.00 0.00 C ATOM 121 C GLY A 12 -2.810 7.050 8.642 1.00 0.00 C ATOM 122 O GLY A 12 -3.370 7.741 7.793 1.00 0.00 O ATOM 0 H GLY A 12 -5.420 5.033 8.961 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.052 6.332 10.253 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.870 5.167 9.693 1.00 0.00 H new ATOM 126 N TYR A 13 -1.544 7.191 9.009 1.00 0.00 N ATOM 127 CA TYR A 13 -0.701 8.212 8.410 1.00 0.00 C ATOM 128 C TYR A 13 0.560 7.594 7.802 1.00 0.00 C ATOM 129 O TYR A 13 1.044 6.568 8.278 1.00 0.00 O ATOM 130 CB TYR A 13 -0.297 9.148 9.551 1.00 0.00 C ATOM 131 CG TYR A 13 -1.041 10.485 9.551 1.00 0.00 C ATOM 132 CD1 TYR A 13 -0.887 11.361 8.496 1.00 0.00 C ATOM 133 CD2 TYR A 13 -1.866 10.815 10.607 1.00 0.00 C ATOM 134 CE1 TYR A 13 -1.587 12.619 8.497 1.00 0.00 C ATOM 135 CE2 TYR A 13 -2.566 12.073 10.608 1.00 0.00 C ATOM 136 CZ TYR A 13 -2.392 12.913 9.553 1.00 0.00 C ATOM 137 OH TYR A 13 -3.054 14.102 9.553 1.00 0.00 O ATOM 0 H TYR A 13 -1.082 6.615 9.713 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.234 8.731 7.613 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.476 8.644 10.501 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.774 9.340 9.488 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.241 11.103 7.670 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.986 10.129 11.433 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.475 13.314 7.678 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.215 12.343 11.428 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.727 14.658 8.815 1.00 0.00 H new ATOM 147 N LEU A 14 1.056 8.244 6.760 1.00 0.00 N ATOM 148 CA LEU A 14 2.251 7.772 6.082 1.00 0.00 C ATOM 149 C LEU A 14 3.065 8.973 5.597 1.00 0.00 C ATOM 150 O LEU A 14 2.605 10.111 5.672 1.00 0.00 O ATOM 151 CB LEU A 14 1.883 6.789 4.969 1.00 0.00 C ATOM 152 CG LEU A 14 1.297 5.450 5.424 1.00 0.00 C ATOM 153 CD1 LEU A 14 0.762 4.653 4.233 1.00 0.00 C ATOM 154 CD2 LEU A 14 2.319 4.651 6.235 1.00 0.00 C ATOM 0 H LEU A 14 0.652 9.095 6.368 1.00 0.00 H new ATOM 0 HA LEU A 14 2.885 7.214 6.772 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.164 7.272 4.308 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.776 6.590 4.377 1.00 0.00 H new ATOM 0 HG LEU A 14 0.452 5.653 6.082 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.351 3.706 4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.020 5.225 3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.573 4.459 3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.877 3.704 6.546 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.199 4.457 5.621 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.611 5.222 7.117 1.00 0.00 H new ATOM 166 N TYR A 15 4.262 8.678 5.110 1.00 0.00 N ATOM 167 CA TYR A 15 5.145 9.720 4.613 1.00 0.00 C ATOM 168 C TYR A 15 5.534 9.459 3.156 1.00 0.00 C ATOM 169 O TYR A 15 6.188 8.463 2.854 1.00 0.00 O ATOM 170 CB TYR A 15 6.402 9.658 5.483 1.00 0.00 C ATOM 171 CG TYR A 15 6.130 9.805 6.981 1.00 0.00 C ATOM 172 CD1 TYR A 15 5.323 10.827 7.439 1.00 0.00 C ATOM 173 CD2 TYR A 15 6.691 8.915 7.875 1.00 0.00 C ATOM 174 CE1 TYR A 15 5.067 10.965 8.849 1.00 0.00 C ATOM 175 CE2 TYR A 15 6.435 9.054 9.285 1.00 0.00 C ATOM 176 CZ TYR A 15 5.635 10.072 9.703 1.00 0.00 C ATOM 177 OH TYR A 15 5.393 10.202 11.035 1.00 0.00 O ATOM 0 H TYR A 15 4.641 7.733 5.049 1.00 0.00 H new ATOM 0 HA TYR A 15 4.654 10.692 4.656 1.00 0.00 H new ATOM 0 HB2 TYR A 15 6.906 8.708 5.307 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.087 10.445 5.170 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.884 11.523 6.740 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.322 8.115 7.517 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.438 11.760 9.220 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.868 8.365 9.995 1.00 0.00 H new ATOM 0 HH TYR A 15 5.863 9.494 11.523 1.00 0.00 H new ATOM 187 N ARG A 16 5.114 10.372 2.293 1.00 0.00 N ATOM 188 CA ARG A 16 5.411 10.254 0.875 1.00 0.00 C ATOM 189 C ARG A 16 6.718 10.977 0.544 1.00 0.00 C ATOM 190 O ARG A 16 6.944 12.097 0.999 1.00 0.00 O ATOM 191 CB ARG A 16 4.282 10.841 0.026 1.00 0.00 C ATOM 192 CG ARG A 16 4.037 9.992 -1.223 1.00 0.00 C ATOM 193 CD ARG A 16 2.999 10.648 -2.137 1.00 0.00 C ATOM 194 NE ARG A 16 1.834 9.751 -2.305 1.00 0.00 N ATOM 195 CZ ARG A 16 0.910 9.892 -3.265 1.00 0.00 C ATOM 196 NH1 ARG A 16 1.010 10.894 -4.149 1.00 0.00 N ATOM 197 NH2 ARG A 16 -0.113 9.031 -3.341 1.00 0.00 N ATOM 0 H ARG A 16 4.571 11.197 2.548 1.00 0.00 H new ATOM 0 HA ARG A 16 5.511 9.193 0.644 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.368 10.896 0.618 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.534 11.860 -0.266 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.973 9.859 -1.766 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.694 8.999 -0.931 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.678 11.599 -1.712 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.443 10.866 -3.108 1.00 0.00 H new ATOM 0 HE ARG A 16 1.728 8.977 -1.649 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.789 11.549 -4.091 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.307 11.001 -4.880 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.189 8.268 -2.668 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.817 9.138 -4.072 1.00 0.00 H new ATOM 211 N SER A 17 7.544 10.306 -0.245 1.00 0.00 N ATOM 212 CA SER A 17 8.823 10.871 -0.642 1.00 0.00 C ATOM 213 C SER A 17 9.121 10.516 -2.101 1.00 0.00 C ATOM 214 O SER A 17 8.566 9.557 -2.636 1.00 0.00 O ATOM 215 CB SER A 17 9.950 10.375 0.266 1.00 0.00 C ATOM 216 OG SER A 17 10.978 9.718 -0.470 1.00 0.00 O ATOM 0 H SER A 17 7.353 9.377 -0.620 1.00 0.00 H new ATOM 0 HA SER A 17 8.764 11.955 -0.543 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.376 11.219 0.809 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.542 9.690 1.009 1.00 0.00 H new ATOM 0 HG SER A 17 11.824 10.199 -0.352 1.00 0.00 H new ATOM 222 N LYS A 18 9.996 11.308 -2.702 1.00 0.00 N ATOM 223 CA LYS A 18 10.374 11.090 -4.088 1.00 0.00 C ATOM 224 C LYS A 18 11.717 10.358 -4.136 1.00 0.00 C ATOM 225 O LYS A 18 12.357 10.296 -5.185 1.00 0.00 O ATOM 226 CB LYS A 18 10.366 12.410 -4.860 1.00 0.00 C ATOM 227 CG LYS A 18 9.013 12.642 -5.536 1.00 0.00 C ATOM 228 CD LYS A 18 9.115 12.443 -7.050 1.00 0.00 C ATOM 229 CE LYS A 18 9.349 13.777 -7.763 1.00 0.00 C ATOM 230 NZ LYS A 18 8.163 14.151 -8.564 1.00 0.00 N ATOM 0 H LYS A 18 10.454 12.102 -2.255 1.00 0.00 H new ATOM 0 HA LYS A 18 9.644 10.452 -4.586 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.583 13.234 -4.180 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.155 12.400 -5.612 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.274 11.955 -5.124 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.663 13.652 -5.321 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.932 11.757 -7.276 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.200 11.983 -7.423 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.561 14.556 -7.030 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.223 13.702 -8.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.338 15.058 -9.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.979 13.415 -9.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.337 14.243 -7.939 1.00 0.00 H new ATOM 244 N GLY A 19 12.104 9.823 -2.988 1.00 0.00 N ATOM 245 CA GLY A 19 13.359 9.097 -2.886 1.00 0.00 C ATOM 246 C GLY A 19 14.036 9.358 -1.538 1.00 0.00 C ATOM 247 O GLY A 19 13.423 9.918 -0.630 1.00 0.00 O ATOM 0 H GLY A 19 11.571 9.877 -2.120 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.176 8.029 -3.004 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.024 9.398 -3.695 1.00 0.00 H new ATOM 251 N SER A 20 15.290 8.940 -1.450 1.00 0.00 N ATOM 252 CA SER A 20 16.056 9.122 -0.229 1.00 0.00 C ATOM 253 C SER A 20 16.616 10.544 -0.169 1.00 0.00 C ATOM 254 O SER A 20 16.563 11.278 -1.155 1.00 0.00 O ATOM 255 CB SER A 20 17.190 8.100 -0.133 1.00 0.00 C ATOM 256 OG SER A 20 16.853 6.867 -0.764 1.00 0.00 O ATOM 0 H SER A 20 15.795 8.476 -2.205 1.00 0.00 H new ATOM 0 HA SER A 20 15.390 8.965 0.619 1.00 0.00 H new ATOM 0 HB2 SER A 20 18.088 8.510 -0.595 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.426 7.918 0.915 1.00 0.00 H new ATOM 0 HG SER A 20 17.603 6.242 -0.682 1.00 0.00 H new ATOM 262 N LYS A 21 17.140 10.891 0.997 1.00 0.00 N ATOM 263 CA LYS A 21 17.710 12.212 1.198 1.00 0.00 C ATOM 264 C LYS A 21 16.685 13.272 0.789 1.00 0.00 C ATOM 265 O LYS A 21 17.047 14.413 0.504 1.00 0.00 O ATOM 266 CB LYS A 21 19.048 12.336 0.467 1.00 0.00 C ATOM 267 CG LYS A 21 19.965 11.156 0.797 1.00 0.00 C ATOM 268 CD LYS A 21 21.411 11.620 0.981 1.00 0.00 C ATOM 269 CE LYS A 21 22.026 11.009 2.241 1.00 0.00 C ATOM 270 NZ LYS A 21 23.372 10.466 1.950 1.00 0.00 N ATOM 0 H LYS A 21 17.182 10.280 1.813 1.00 0.00 H new ATOM 0 HA LYS A 21 17.934 12.374 2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 21 18.876 12.378 -0.609 1.00 0.00 H new ATOM 0 HB3 LYS A 21 19.535 13.270 0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 21 19.618 10.665 1.706 1.00 0.00 H new ATOM 0 HG3 LYS A 21 19.915 10.417 -0.003 1.00 0.00 H new ATOM 0 HD2 LYS A 21 22.001 11.337 0.110 1.00 0.00 H new ATOM 0 HD3 LYS A 21 21.442 12.708 1.047 1.00 0.00 H new ATOM 0 HE2 LYS A 21 22.094 11.765 3.023 1.00 0.00 H new ATOM 0 HE3 LYS A 21 21.381 10.216 2.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 23.775 10.055 2.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 23.299 9.730 1.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 23.989 11.231 1.610 1.00 0.00 H new ATOM 284 N LYS A 22 15.427 12.858 0.773 1.00 0.00 N ATOM 285 CA LYS A 22 14.348 13.758 0.404 1.00 0.00 C ATOM 286 C LYS A 22 13.495 14.058 1.638 1.00 0.00 C ATOM 287 O LYS A 22 13.470 13.274 2.586 1.00 0.00 O ATOM 288 CB LYS A 22 13.551 13.185 -0.770 1.00 0.00 C ATOM 289 CG LYS A 22 14.328 13.325 -2.080 1.00 0.00 C ATOM 290 CD LYS A 22 13.657 14.339 -3.010 1.00 0.00 C ATOM 291 CE LYS A 22 14.175 14.195 -4.442 1.00 0.00 C ATOM 292 NZ LYS A 22 14.716 15.483 -4.930 1.00 0.00 N ATOM 0 H LYS A 22 15.131 11.911 1.010 1.00 0.00 H new ATOM 0 HA LYS A 22 14.748 14.710 0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.329 12.134 -0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.595 13.703 -0.853 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.350 13.640 -1.869 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.389 12.356 -2.576 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.577 14.194 -2.994 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.848 15.350 -2.650 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.951 13.431 -4.479 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.368 13.862 -5.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.063 15.367 -5.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.966 16.203 -4.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.500 15.785 -4.317 1.00 0.00 H new ATOM 306 N PRO A 23 12.799 15.225 1.586 1.00 0.00 N ATOM 307 CA PRO A 23 11.947 15.639 2.688 1.00 0.00 C ATOM 308 C PRO A 23 10.650 14.826 2.714 1.00 0.00 C ATOM 309 O PRO A 23 9.970 14.705 1.696 1.00 0.00 O ATOM 310 CB PRO A 23 11.713 17.124 2.469 1.00 0.00 C ATOM 311 CG PRO A 23 12.053 17.389 1.011 1.00 0.00 C ATOM 312 CD PRO A 23 12.804 16.179 0.480 1.00 0.00 C ATOM 0 HA PRO A 23 12.403 15.461 3.662 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.679 17.392 2.684 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.341 17.720 3.131 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.145 17.559 0.432 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.663 18.288 0.919 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.315 15.765 -0.402 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.821 16.441 0.188 1.00 0.00 H new ATOM 320 N TRP A 24 10.348 14.291 3.887 1.00 0.00 N ATOM 321 CA TRP A 24 9.145 13.494 4.059 1.00 0.00 C ATOM 322 C TRP A 24 7.959 14.451 4.194 1.00 0.00 C ATOM 323 O TRP A 24 8.027 15.428 4.939 1.00 0.00 O ATOM 324 CB TRP A 24 9.284 12.541 5.248 1.00 0.00 C ATOM 325 CG TRP A 24 10.452 11.561 5.127 1.00 0.00 C ATOM 326 CD1 TRP A 24 11.698 11.701 5.598 1.00 0.00 C ATOM 327 CD2 TRP A 24 10.432 10.276 4.470 1.00 0.00 C ATOM 328 NE1 TRP A 24 12.480 10.605 5.294 1.00 0.00 N ATOM 329 CE2 TRP A 24 11.685 9.711 4.587 1.00 0.00 C ATOM 330 CE3 TRP A 24 9.389 9.613 3.799 1.00 0.00 C ATOM 331 CZ2 TRP A 24 12.013 8.457 4.057 1.00 0.00 C ATOM 332 CZ3 TRP A 24 9.732 8.361 3.276 1.00 0.00 C ATOM 333 CH2 TRP A 24 10.989 7.778 3.385 1.00 0.00 C ATOM 0 H TRP A 24 10.916 14.394 4.728 1.00 0.00 H new ATOM 0 HA TRP A 24 8.979 12.854 3.192 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.408 13.128 6.158 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.359 11.976 5.357 1.00 0.00 H new ATOM 0 HD1 TRP A 24 12.047 12.563 6.147 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.461 10.475 5.542 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.401 10.037 3.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 13.002 8.036 4.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 8.966 7.809 2.751 1.00 0.00 H new ATOM 0 HH2 TRP A 24 11.175 6.806 2.953 1.00 0.00 H new ATOM 344 N LYS A 25 6.900 14.137 3.463 1.00 0.00 N ATOM 345 CA LYS A 25 5.700 14.957 3.492 1.00 0.00 C ATOM 346 C LYS A 25 4.600 14.216 4.254 1.00 0.00 C ATOM 347 O LYS A 25 3.992 13.286 3.726 1.00 0.00 O ATOM 348 CB LYS A 25 5.297 15.368 2.075 1.00 0.00 C ATOM 349 CG LYS A 25 6.308 16.351 1.480 1.00 0.00 C ATOM 350 CD LYS A 25 7.037 15.733 0.286 1.00 0.00 C ATOM 351 CE LYS A 25 6.417 16.194 -1.034 1.00 0.00 C ATOM 352 NZ LYS A 25 7.086 15.536 -2.179 1.00 0.00 N ATOM 0 H LYS A 25 6.847 13.326 2.847 1.00 0.00 H new ATOM 0 HA LYS A 25 5.888 15.888 4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.229 14.484 1.442 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.307 15.825 2.093 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.795 17.260 1.166 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.031 16.640 2.242 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.090 16.012 0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.994 14.646 0.352 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.352 15.960 -1.044 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.506 17.276 -1.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.653 15.860 -3.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.097 15.780 -2.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.979 14.505 -2.098 1.00 0.00 H new ATOM 366 N HIS A 26 4.377 14.656 5.484 1.00 0.00 N ATOM 367 CA HIS A 26 3.360 14.046 6.324 1.00 0.00 C ATOM 368 C HIS A 26 1.984 14.232 5.681 1.00 0.00 C ATOM 369 O HIS A 26 1.390 15.304 5.777 1.00 0.00 O ATOM 370 CB HIS A 26 3.429 14.599 7.749 1.00 0.00 C ATOM 371 CG HIS A 26 4.659 14.174 8.514 1.00 0.00 C ATOM 372 ND1 HIS A 26 5.774 13.503 8.107 1.00 0.00 N flip ATOM 373 CD2 HIS A 26 4.831 14.437 9.862 1.00 0.00 C flip ATOM 374 CE1 HIS A 26 6.584 13.363 9.149 1.00 0.00 C flip ATOM 375 NE2 HIS A 26 6.001 13.942 10.238 1.00 0.00 N flip ATOM 0 H HIS A 26 4.883 15.427 5.919 1.00 0.00 H new ATOM 0 HA HIS A 26 3.543 12.974 6.403 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.398 15.688 7.707 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.544 14.276 8.296 1.00 0.00 H new ATOM 0 HD1 HIS A 26 5.955 13.166 7.162 1.00 0.00 H new ATOM 0 HD2 HIS A 26 4.131 14.957 10.499 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.546 12.872 9.137 1.00 0.00 H new ATOM 383 N LEU A 27 1.518 13.170 5.040 1.00 0.00 N ATOM 384 CA LEU A 27 0.223 13.203 4.382 1.00 0.00 C ATOM 385 C LEU A 27 -0.625 12.028 4.875 1.00 0.00 C ATOM 386 O LEU A 27 -0.096 11.067 5.431 1.00 0.00 O ATOM 387 CB LEU A 27 0.396 13.241 2.862 1.00 0.00 C ATOM 388 CG LEU A 27 0.892 14.565 2.276 1.00 0.00 C ATOM 389 CD1 LEU A 27 2.116 14.345 1.385 1.00 0.00 C ATOM 390 CD2 LEU A 27 -0.233 15.293 1.537 1.00 0.00 C ATOM 0 H LEU A 27 2.014 12.282 4.962 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.314 14.115 4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.095 12.455 2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.562 12.999 2.401 1.00 0.00 H new ATOM 0 HG LEU A 27 1.205 15.208 3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.449 15.301 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.919 13.900 1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.854 13.676 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.146 16.231 1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.599 14.666 0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.048 15.501 2.230 1.00 0.00 H new ATOM 402 N TRP A 28 -1.926 12.145 4.653 1.00 0.00 N ATOM 403 CA TRP A 28 -2.852 11.105 5.068 1.00 0.00 C ATOM 404 C TRP A 28 -3.233 10.290 3.831 1.00 0.00 C ATOM 405 O TRP A 28 -3.404 10.845 2.746 1.00 0.00 O ATOM 406 CB TRP A 28 -4.063 11.704 5.786 1.00 0.00 C ATOM 407 CG TRP A 28 -5.060 10.663 6.299 1.00 0.00 C ATOM 408 CD1 TRP A 28 -6.133 10.168 5.668 1.00 0.00 C ATOM 409 CD2 TRP A 28 -5.032 10.004 7.583 1.00 0.00 C ATOM 410 NE1 TRP A 28 -6.797 9.243 6.448 1.00 0.00 N ATOM 411 CE2 TRP A 28 -6.106 9.140 7.649 1.00 0.00 C ATOM 412 CE3 TRP A 28 -4.129 10.135 8.652 1.00 0.00 C ATOM 413 CZ2 TRP A 28 -6.377 8.340 8.765 1.00 0.00 C ATOM 414 CZ3 TRP A 28 -4.414 9.328 9.760 1.00 0.00 C ATOM 415 CH2 TRP A 28 -5.491 8.453 9.843 1.00 0.00 C ATOM 0 H TRP A 28 -2.361 12.944 4.191 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.384 10.439 5.793 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.714 12.303 6.627 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -4.578 12.381 5.105 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.440 10.457 4.674 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.640 8.730 6.190 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.282 10.805 8.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.224 7.671 8.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.751 9.390 10.610 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.643 7.863 10.735 1.00 0.00 H new ATOM 426 N PHE A 29 -3.355 8.987 4.034 1.00 0.00 N ATOM 427 CA PHE A 29 -3.713 8.090 2.948 1.00 0.00 C ATOM 428 C PHE A 29 -4.751 7.063 3.405 1.00 0.00 C ATOM 429 O PHE A 29 -4.754 6.651 4.564 1.00 0.00 O ATOM 430 CB PHE A 29 -2.436 7.356 2.534 1.00 0.00 C ATOM 431 CG PHE A 29 -1.388 8.255 1.875 1.00 0.00 C ATOM 432 CD1 PHE A 29 -1.486 8.558 0.553 1.00 0.00 C ATOM 433 CD2 PHE A 29 -0.358 8.753 2.612 1.00 0.00 C ATOM 434 CE1 PHE A 29 -0.513 9.392 -0.059 1.00 0.00 C ATOM 435 CE2 PHE A 29 0.615 9.587 2.000 1.00 0.00 C ATOM 436 CZ PHE A 29 0.517 9.889 0.678 1.00 0.00 C ATOM 0 H PHE A 29 -3.212 8.530 4.935 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.142 8.658 2.123 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.996 6.888 3.415 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.698 6.554 1.844 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.304 8.164 -0.032 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.281 8.514 3.662 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.591 9.632 -1.109 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.433 9.981 2.585 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.257 10.524 0.213 1.00 0.00 H new ATOM 446 N VAL A 30 -5.608 6.680 2.470 1.00 0.00 N ATOM 447 CA VAL A 30 -6.649 5.709 2.762 1.00 0.00 C ATOM 448 C VAL A 30 -6.753 4.715 1.603 1.00 0.00 C ATOM 449 O VAL A 30 -6.401 5.038 0.470 1.00 0.00 O ATOM 450 CB VAL A 30 -7.968 6.428 3.053 1.00 0.00 C ATOM 451 CG1 VAL A 30 -9.051 5.435 3.481 1.00 0.00 C ATOM 452 CG2 VAL A 30 -7.777 7.520 4.107 1.00 0.00 C ATOM 0 H VAL A 30 -5.603 7.024 1.510 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.400 5.139 3.657 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.298 6.907 2.131 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.978 5.972 3.682 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.216 4.711 2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.731 4.914 4.383 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.730 8.015 4.295 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.412 7.073 5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.053 8.251 3.747 1.00 0.00 H new ATOM 462 N ILE A 31 -7.237 3.525 1.928 1.00 0.00 N ATOM 463 CA ILE A 31 -7.392 2.482 0.929 1.00 0.00 C ATOM 464 C ILE A 31 -8.863 2.069 0.851 1.00 0.00 C ATOM 465 O ILE A 31 -9.360 1.362 1.726 1.00 0.00 O ATOM 466 CB ILE A 31 -6.441 1.318 1.218 1.00 0.00 C ATOM 467 CG1 ILE A 31 -4.993 1.702 0.905 1.00 0.00 C ATOM 468 CG2 ILE A 31 -6.874 0.057 0.468 1.00 0.00 C ATOM 469 CD1 ILE A 31 -4.055 0.511 1.105 1.00 0.00 C ATOM 0 H ILE A 31 -7.527 3.260 2.869 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.113 2.855 -0.057 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.491 1.092 2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.921 2.057 -0.123 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.684 2.525 1.549 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.181 -0.755 0.691 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.878 -0.226 0.782 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.871 0.252 -0.604 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.032 0.811 0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.111 0.174 2.140 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.352 -0.301 0.442 1.00 0.00 H new ATOM 481 N LYS A 32 -9.519 2.530 -0.204 1.00 0.00 N ATOM 482 CA LYS A 32 -10.923 2.217 -0.407 1.00 0.00 C ATOM 483 C LYS A 32 -11.149 1.830 -1.870 1.00 0.00 C ATOM 484 O LYS A 32 -10.514 2.382 -2.767 1.00 0.00 O ATOM 485 CB LYS A 32 -11.803 3.377 0.064 1.00 0.00 C ATOM 486 CG LYS A 32 -13.195 3.300 -0.566 1.00 0.00 C ATOM 487 CD LYS A 32 -14.101 4.412 -0.033 1.00 0.00 C ATOM 488 CE LYS A 32 -13.936 5.693 -0.854 1.00 0.00 C ATOM 489 NZ LYS A 32 -15.057 5.844 -1.809 1.00 0.00 N ATOM 0 H LYS A 32 -9.104 3.118 -0.927 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.213 1.359 0.199 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.890 3.354 1.150 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.333 4.325 -0.199 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.112 3.382 -1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -13.641 2.329 -0.353 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -15.141 4.086 -0.065 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.862 4.612 1.012 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.898 6.556 -0.189 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.990 5.666 -1.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.930 6.718 -2.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.075 5.029 -2.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.955 5.891 -1.286 1.00 0.00 H new ATOM 503 N ASN A 33 -12.054 0.882 -2.065 1.00 0.00 N ATOM 504 CA ASN A 33 -12.371 0.414 -3.403 1.00 0.00 C ATOM 505 C ASN A 33 -11.077 0.030 -4.124 1.00 0.00 C ATOM 506 O ASN A 33 -10.998 0.111 -5.349 1.00 0.00 O ATOM 507 CB ASN A 33 -13.061 1.508 -4.221 1.00 0.00 C ATOM 508 CG ASN A 33 -13.639 0.941 -5.519 1.00 0.00 C ATOM 509 OD1 ASN A 33 -13.703 -0.259 -5.727 1.00 0.00 O ATOM 510 ND2 ASN A 33 -14.055 1.868 -6.376 1.00 0.00 N ATOM 0 H ASN A 33 -12.578 0.425 -1.318 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.039 -0.443 -3.311 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -13.858 1.960 -3.631 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.347 2.299 -4.452 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.457 1.591 -7.271 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.972 2.856 -6.138 1.00 0.00 H new ATOM 517 N LYS A 34 -10.096 -0.380 -3.334 1.00 0.00 N ATOM 518 CA LYS A 34 -8.810 -0.776 -3.882 1.00 0.00 C ATOM 519 C LYS A 34 -8.153 0.430 -4.555 1.00 0.00 C ATOM 520 O LYS A 34 -7.487 0.287 -5.579 1.00 0.00 O ATOM 521 CB LYS A 34 -8.971 -1.985 -4.806 1.00 0.00 C ATOM 522 CG LYS A 34 -8.058 -3.133 -4.372 1.00 0.00 C ATOM 523 CD LYS A 34 -8.869 -4.281 -3.769 1.00 0.00 C ATOM 524 CE LYS A 34 -8.021 -5.549 -3.650 1.00 0.00 C ATOM 525 NZ LYS A 34 -8.806 -6.643 -3.036 1.00 0.00 N ATOM 0 H LYS A 34 -10.166 -0.447 -2.319 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.140 -1.100 -3.085 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.009 -2.318 -4.797 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.737 -1.697 -5.831 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.491 -3.495 -5.229 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.335 -2.771 -3.641 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.238 -3.992 -2.785 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.742 -4.480 -4.391 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.672 -5.854 -4.637 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.136 -5.346 -3.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.215 -7.496 -2.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.118 -6.356 -2.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.637 -6.848 -3.627 1.00 0.00 H new ATOM 539 N VAL A 35 -8.364 1.591 -3.953 1.00 0.00 N ATOM 540 CA VAL A 35 -7.801 2.822 -4.482 1.00 0.00 C ATOM 541 C VAL A 35 -7.062 3.561 -3.365 1.00 0.00 C ATOM 542 O VAL A 35 -7.568 3.673 -2.250 1.00 0.00 O ATOM 543 CB VAL A 35 -8.902 3.665 -5.130 1.00 0.00 C ATOM 544 CG1 VAL A 35 -8.358 5.021 -5.584 1.00 0.00 C ATOM 545 CG2 VAL A 35 -9.551 2.916 -6.296 1.00 0.00 C ATOM 0 H VAL A 35 -8.917 1.706 -3.104 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.074 2.604 -5.264 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.671 3.847 -4.379 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.160 5.600 -6.041 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.965 5.562 -4.723 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.561 4.868 -6.312 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.330 3.537 -6.739 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.796 2.690 -7.049 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.991 1.987 -5.932 1.00 0.00 H new ATOM 555 N LEU A 36 -5.876 4.046 -3.704 1.00 0.00 N ATOM 556 CA LEU A 36 -5.062 4.771 -2.744 1.00 0.00 C ATOM 557 C LEU A 36 -5.431 6.255 -2.786 1.00 0.00 C ATOM 558 O LEU A 36 -4.886 7.011 -3.589 1.00 0.00 O ATOM 559 CB LEU A 36 -3.576 4.499 -2.988 1.00 0.00 C ATOM 560 CG LEU A 36 -2.606 5.123 -1.982 1.00 0.00 C ATOM 561 CD1 LEU A 36 -2.631 6.650 -2.071 1.00 0.00 C ATOM 562 CD2 LEU A 36 -2.894 4.626 -0.563 1.00 0.00 C ATOM 0 H LEU A 36 -5.460 3.951 -4.630 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.264 4.421 -1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.420 3.420 -2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.319 4.862 -3.983 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.596 4.803 -2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.933 7.068 -1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.341 6.961 -3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.637 7.011 -1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.191 5.084 0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.912 4.897 -0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.785 3.542 -0.528 1.00 0.00 H new ATOM 574 N TYR A 37 -6.355 6.628 -1.912 1.00 0.00 N ATOM 575 CA TYR A 37 -6.803 8.008 -1.840 1.00 0.00 C ATOM 576 C TYR A 37 -5.802 8.870 -1.066 1.00 0.00 C ATOM 577 O TYR A 37 -5.177 8.400 -0.117 1.00 0.00 O ATOM 578 CB TYR A 37 -8.130 7.981 -1.079 1.00 0.00 C ATOM 579 CG TYR A 37 -9.325 7.544 -1.927 1.00 0.00 C ATOM 580 CD1 TYR A 37 -9.885 8.421 -2.834 1.00 0.00 C ATOM 581 CD2 TYR A 37 -9.844 6.273 -1.786 1.00 0.00 C ATOM 582 CE1 TYR A 37 -11.010 8.009 -3.633 1.00 0.00 C ATOM 583 CE2 TYR A 37 -10.969 5.861 -2.585 1.00 0.00 C ATOM 584 CZ TYR A 37 -11.497 6.750 -3.469 1.00 0.00 C ATOM 585 OH TYR A 37 -12.559 6.361 -4.224 1.00 0.00 O ATOM 0 H TYR A 37 -6.805 5.998 -1.248 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.902 8.432 -2.839 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -8.035 7.306 -0.228 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -8.327 8.975 -0.677 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -9.480 9.416 -2.944 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.406 5.587 -1.076 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -11.457 8.685 -4.347 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.384 4.869 -2.485 1.00 0.00 H new ATOM 0 HH TYR A 37 -12.798 5.437 -4.001 1.00 0.00 H new ATOM 595 N THR A 38 -5.682 10.115 -1.502 1.00 0.00 N ATOM 596 CA THR A 38 -4.769 11.047 -0.863 1.00 0.00 C ATOM 597 C THR A 38 -5.528 11.965 0.097 1.00 0.00 C ATOM 598 O THR A 38 -6.713 12.229 -0.099 1.00 0.00 O ATOM 599 CB THR A 38 -4.019 11.802 -1.961 1.00 0.00 C ATOM 600 OG1 THR A 38 -3.207 10.806 -2.577 1.00 0.00 O ATOM 601 CG2 THR A 38 -3.012 12.807 -1.398 1.00 0.00 C ATOM 0 H THR A 38 -6.202 10.500 -2.290 1.00 0.00 H new ATOM 0 HA THR A 38 -4.036 10.524 -0.249 1.00 0.00 H new ATOM 0 HB THR A 38 -4.736 12.323 -2.596 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.687 11.210 -3.303 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.507 13.315 -2.220 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.534 13.540 -0.784 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.276 12.282 -0.789 1.00 0.00 H new ATOM 609 N TYR A 39 -4.814 12.426 1.113 1.00 0.00 N ATOM 610 CA TYR A 39 -5.406 13.309 2.104 1.00 0.00 C ATOM 611 C TYR A 39 -4.332 14.138 2.811 1.00 0.00 C ATOM 612 O TYR A 39 -3.144 13.990 2.530 1.00 0.00 O ATOM 613 CB TYR A 39 -6.086 12.398 3.128 1.00 0.00 C ATOM 614 CG TYR A 39 -7.363 11.729 2.615 1.00 0.00 C ATOM 615 CD1 TYR A 39 -8.546 12.438 2.578 1.00 0.00 C ATOM 616 CD2 TYR A 39 -7.330 10.417 2.188 1.00 0.00 C ATOM 617 CE1 TYR A 39 -9.748 11.807 2.095 1.00 0.00 C ATOM 618 CE2 TYR A 39 -8.532 9.787 1.705 1.00 0.00 C ATOM 619 CZ TYR A 39 -9.681 10.513 1.682 1.00 0.00 C ATOM 620 OH TYR A 39 -10.816 9.918 1.226 1.00 0.00 O ATOM 0 H TYR A 39 -3.831 12.205 1.272 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.103 14.002 1.633 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.382 11.625 3.436 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.326 12.982 4.016 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.571 13.465 2.911 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.403 9.863 2.216 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -10.681 12.350 2.062 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.521 8.761 1.369 1.00 0.00 H new ATOM 0 HH TYR A 39 -10.619 8.994 0.964 1.00 0.00 H new ATOM 630 N ALA A 40 -4.789 14.993 3.714 1.00 0.00 N ATOM 631 CA ALA A 40 -3.882 15.846 4.463 1.00 0.00 C ATOM 632 C ALA A 40 -4.037 15.560 5.958 1.00 0.00 C ATOM 633 O ALA A 40 -3.047 15.475 6.683 1.00 0.00 O ATOM 634 CB ALA A 40 -4.157 17.311 4.119 1.00 0.00 C ATOM 0 H ALA A 40 -5.775 15.113 3.944 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.847 15.636 4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.476 17.951 4.681 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.005 17.469 3.051 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.186 17.559 4.379 1.00 0.00 H new ATOM 640 N ALA A 41 -5.287 15.418 6.374 1.00 0.00 N ATOM 641 CA ALA A 41 -5.584 15.143 7.770 1.00 0.00 C ATOM 642 C ALA A 41 -6.744 14.149 7.853 1.00 0.00 C ATOM 643 O ALA A 41 -7.412 13.884 6.855 1.00 0.00 O ATOM 644 CB ALA A 41 -5.887 16.455 8.496 1.00 0.00 C ATOM 0 H ALA A 41 -6.105 15.488 5.769 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.725 14.689 8.263 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.110 16.249 9.543 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.021 17.114 8.432 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.746 16.938 8.031 1.00 0.00 H new ATOM 650 N SER A 42 -6.948 13.625 9.053 1.00 0.00 N ATOM 651 CA SER A 42 -8.015 12.666 9.280 1.00 0.00 C ATOM 652 C SER A 42 -9.361 13.390 9.361 1.00 0.00 C ATOM 653 O SER A 42 -10.408 12.791 9.122 1.00 0.00 O ATOM 654 CB SER A 42 -7.769 11.859 10.556 1.00 0.00 C ATOM 655 OG SER A 42 -8.655 10.748 10.665 1.00 0.00 O ATOM 0 H SER A 42 -6.392 13.847 9.879 1.00 0.00 H new ATOM 0 HA SER A 42 -8.033 11.971 8.441 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.739 11.503 10.567 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.892 12.507 11.424 1.00 0.00 H new ATOM 0 HG SER A 42 -8.465 10.258 11.492 1.00 0.00 H new ATOM 661 N GLU A 43 -9.289 14.669 9.700 1.00 0.00 N ATOM 662 CA GLU A 43 -10.488 15.481 9.817 1.00 0.00 C ATOM 663 C GLU A 43 -10.817 16.137 8.474 1.00 0.00 C ATOM 664 O GLU A 43 -11.506 17.155 8.428 1.00 0.00 O ATOM 665 CB GLU A 43 -10.334 16.533 10.917 1.00 0.00 C ATOM 666 CG GLU A 43 -9.089 17.392 10.684 1.00 0.00 C ATOM 667 CD GLU A 43 -9.456 18.873 10.580 1.00 0.00 C ATOM 668 OE1 GLU A 43 -10.227 19.329 11.452 1.00 0.00 O ATOM 669 OE2 GLU A 43 -8.958 19.517 9.632 1.00 0.00 O ATOM 0 H GLU A 43 -8.419 15.163 9.897 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.317 14.831 10.096 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.219 17.169 10.944 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.265 16.042 11.888 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.383 17.245 11.502 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.588 17.073 9.770 1.00 0.00 H new ATOM 676 N ASP A 44 -10.310 15.526 7.413 1.00 0.00 N ATOM 677 CA ASP A 44 -10.541 16.037 6.073 1.00 0.00 C ATOM 678 C ASP A 44 -11.998 15.785 5.680 1.00 0.00 C ATOM 679 O ASP A 44 -12.649 14.900 6.232 1.00 0.00 O ATOM 680 CB ASP A 44 -9.647 15.331 5.052 1.00 0.00 C ATOM 681 CG ASP A 44 -9.880 13.825 4.921 1.00 0.00 C ATOM 682 OD1 ASP A 44 -11.032 13.453 4.609 1.00 0.00 O ATOM 683 OD2 ASP A 44 -8.900 13.079 5.136 1.00 0.00 O ATOM 0 H ASP A 44 -9.740 14.681 7.455 1.00 0.00 H new ATOM 0 HA ASP A 44 -10.313 17.103 6.075 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.800 15.793 4.077 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.605 15.500 5.325 1.00 0.00 H new ATOM 688 N VAL A 45 -12.468 16.580 4.730 1.00 0.00 N ATOM 689 CA VAL A 45 -13.836 16.454 4.256 1.00 0.00 C ATOM 690 C VAL A 45 -13.833 15.817 2.866 1.00 0.00 C ATOM 691 O VAL A 45 -14.861 15.326 2.401 1.00 0.00 O ATOM 692 CB VAL A 45 -14.528 17.818 4.288 1.00 0.00 C ATOM 693 CG1 VAL A 45 -15.411 17.956 5.530 1.00 0.00 C ATOM 694 CG2 VAL A 45 -13.506 18.954 4.213 1.00 0.00 C ATOM 0 H VAL A 45 -11.925 17.314 4.275 1.00 0.00 H new ATOM 0 HA VAL A 45 -14.409 15.799 4.912 1.00 0.00 H new ATOM 0 HB VAL A 45 -15.171 17.888 3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -15.891 18.935 5.528 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.174 17.177 5.522 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.798 17.854 6.425 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -14.025 19.912 4.238 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.826 18.888 5.062 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.939 18.872 3.286 1.00 0.00 H new ATOM 704 N ALA A 46 -12.666 15.844 2.239 1.00 0.00 N ATOM 705 CA ALA A 46 -12.516 15.275 0.910 1.00 0.00 C ATOM 706 C ALA A 46 -11.038 14.973 0.653 1.00 0.00 C ATOM 707 O ALA A 46 -10.162 15.685 1.142 1.00 0.00 O ATOM 708 CB ALA A 46 -13.104 16.236 -0.126 1.00 0.00 C ATOM 0 H ALA A 46 -11.815 16.251 2.627 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.063 14.335 0.831 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.992 15.810 -1.123 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.162 16.394 0.084 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.578 17.189 -0.078 1.00 0.00 H new ATOM 714 N ALA A 47 -10.808 13.917 -0.113 1.00 0.00 N ATOM 715 CA ALA A 47 -9.451 13.512 -0.440 1.00 0.00 C ATOM 716 C ALA A 47 -8.838 14.532 -1.402 1.00 0.00 C ATOM 717 O ALA A 47 -9.524 15.055 -2.279 1.00 0.00 O ATOM 718 CB ALA A 47 -9.467 12.098 -1.023 1.00 0.00 C ATOM 0 H ALA A 47 -11.538 13.330 -0.517 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.831 13.488 0.456 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.449 11.794 -1.268 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.885 11.407 -0.291 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.078 12.084 -1.926 1.00 0.00 H new ATOM 724 N LEU A 48 -7.552 14.784 -1.205 1.00 0.00 N ATOM 725 CA LEU A 48 -6.838 15.732 -2.044 1.00 0.00 C ATOM 726 C LEU A 48 -6.727 15.168 -3.462 1.00 0.00 C ATOM 727 O LEU A 48 -6.850 15.906 -4.438 1.00 0.00 O ATOM 728 CB LEU A 48 -5.489 16.092 -1.417 1.00 0.00 C ATOM 729 CG LEU A 48 -5.537 16.635 0.012 1.00 0.00 C ATOM 730 CD1 LEU A 48 -4.136 16.997 0.508 1.00 0.00 C ATOM 731 CD2 LEU A 48 -6.506 17.814 0.119 1.00 0.00 C ATOM 0 H LEU A 48 -6.986 14.348 -0.477 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.390 16.669 -2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.858 15.203 -1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.003 16.834 -2.050 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.916 15.848 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.198 17.381 1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.504 16.109 0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.706 17.760 -0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.521 18.181 1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.182 18.613 -0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.507 17.489 -0.165 1.00 0.00 H new ATOM 743 N GLU A 49 -6.495 13.866 -3.530 1.00 0.00 N ATOM 744 CA GLU A 49 -6.365 13.195 -4.812 1.00 0.00 C ATOM 745 C GLU A 49 -6.849 11.748 -4.706 1.00 0.00 C ATOM 746 O GLU A 49 -7.022 11.227 -3.605 1.00 0.00 O ATOM 747 CB GLU A 49 -4.923 13.255 -5.320 1.00 0.00 C ATOM 748 CG GLU A 49 -4.596 14.640 -5.881 1.00 0.00 C ATOM 749 CD GLU A 49 -5.423 14.932 -7.135 1.00 0.00 C ATOM 750 OE1 GLU A 49 -5.463 14.039 -8.009 1.00 0.00 O ATOM 751 OE2 GLU A 49 -5.996 16.042 -7.191 1.00 0.00 O ATOM 0 H GLU A 49 -6.394 13.257 -2.718 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.992 13.715 -5.536 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.237 13.017 -4.507 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.775 12.501 -6.093 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.795 15.399 -5.125 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.534 14.698 -6.119 1.00 0.00 H new ATOM 758 N SER A 50 -7.055 11.139 -5.864 1.00 0.00 N ATOM 759 CA SER A 50 -7.515 9.762 -5.915 1.00 0.00 C ATOM 760 C SER A 50 -6.776 9.003 -7.019 1.00 0.00 C ATOM 761 O SER A 50 -6.655 9.493 -8.140 1.00 0.00 O ATOM 762 CB SER A 50 -9.027 9.694 -6.145 1.00 0.00 C ATOM 763 OG SER A 50 -9.546 10.926 -6.639 1.00 0.00 O ATOM 0 H SER A 50 -6.912 11.574 -6.775 1.00 0.00 H new ATOM 0 HA SER A 50 -7.299 9.294 -4.954 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.251 8.896 -6.853 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.525 9.439 -5.210 1.00 0.00 H new ATOM 0 HG SER A 50 -10.513 10.843 -6.775 1.00 0.00 H new ATOM 769 N GLN A 51 -6.302 7.818 -6.662 1.00 0.00 N ATOM 770 CA GLN A 51 -5.578 6.986 -7.609 1.00 0.00 C ATOM 771 C GLN A 51 -5.814 5.506 -7.303 1.00 0.00 C ATOM 772 O GLN A 51 -5.630 5.065 -6.170 1.00 0.00 O ATOM 773 CB GLN A 51 -4.084 7.317 -7.599 1.00 0.00 C ATOM 774 CG GLN A 51 -3.776 8.492 -8.529 1.00 0.00 C ATOM 775 CD GLN A 51 -4.246 8.199 -9.956 1.00 0.00 C ATOM 776 OE1 GLN A 51 -3.698 7.113 -10.494 1.00 0.00 O flip ATOM 777 NE2 GLN A 51 -5.053 8.912 -10.530 1.00 0.00 N flip ATOM 0 H GLN A 51 -6.405 7.414 -5.731 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.956 7.195 -8.610 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.769 7.560 -6.584 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.512 6.443 -7.910 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.266 9.392 -8.158 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.704 8.690 -8.529 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.435 9.732 -10.059 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.345 8.688 -11.481 1.00 0.00 H new ATOM 786 N PRO A 52 -6.228 4.759 -8.362 1.00 0.00 N ATOM 787 CA PRO A 52 -6.490 3.338 -8.219 1.00 0.00 C ATOM 788 C PRO A 52 -5.185 2.545 -8.126 1.00 0.00 C ATOM 789 O PRO A 52 -4.302 2.696 -8.969 1.00 0.00 O ATOM 790 CB PRO A 52 -7.325 2.967 -9.434 1.00 0.00 C ATOM 791 CG PRO A 52 -7.108 4.082 -10.444 1.00 0.00 C ATOM 792 CD PRO A 52 -6.455 5.247 -9.719 1.00 0.00 C ATOM 0 HA PRO A 52 -7.023 3.100 -7.298 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -7.015 2.005 -9.842 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.379 2.878 -9.171 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.475 3.738 -11.262 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.057 4.389 -10.883 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.519 5.537 -10.197 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.100 6.126 -9.721 1.00 0.00 H new ATOM 800 N LEU A 53 -5.104 1.718 -7.094 1.00 0.00 N ATOM 801 CA LEU A 53 -3.921 0.902 -6.880 1.00 0.00 C ATOM 802 C LEU A 53 -3.814 -0.136 -7.999 1.00 0.00 C ATOM 803 O LEU A 53 -2.713 -0.508 -8.402 1.00 0.00 O ATOM 804 CB LEU A 53 -3.936 0.294 -5.476 1.00 0.00 C ATOM 805 CG LEU A 53 -3.727 1.273 -4.319 1.00 0.00 C ATOM 806 CD1 LEU A 53 -4.394 0.761 -3.041 1.00 0.00 C ATOM 807 CD2 LEU A 53 -2.240 1.566 -4.111 1.00 0.00 C ATOM 0 H LEU A 53 -5.838 1.596 -6.397 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.021 1.516 -6.927 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.891 -0.211 -5.330 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.160 -0.470 -5.424 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.208 2.216 -4.578 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.231 1.475 -2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.464 0.644 -3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.963 -0.202 -2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.119 2.264 -3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.715 0.638 -3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.825 2.004 -5.019 1.00 0.00 H new ATOM 819 N LEU A 54 -4.973 -0.575 -8.468 1.00 0.00 N ATOM 820 CA LEU A 54 -5.023 -1.563 -9.532 1.00 0.00 C ATOM 821 C LEU A 54 -4.106 -1.122 -10.675 1.00 0.00 C ATOM 822 O LEU A 54 -4.461 -0.239 -11.455 1.00 0.00 O ATOM 823 CB LEU A 54 -6.470 -1.811 -9.965 1.00 0.00 C ATOM 824 CG LEU A 54 -6.755 -3.172 -10.603 1.00 0.00 C ATOM 825 CD1 LEU A 54 -5.607 -3.598 -11.521 1.00 0.00 C ATOM 826 CD2 LEU A 54 -7.057 -4.225 -9.536 1.00 0.00 C ATOM 0 H LEU A 54 -5.884 -0.265 -8.131 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.651 -2.524 -9.177 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.114 -1.699 -9.093 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.755 -1.033 -10.673 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.646 -3.079 -11.224 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.835 -4.569 -11.962 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.482 -2.860 -12.313 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.686 -3.669 -10.943 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.256 -5.183 -10.016 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.200 -4.324 -8.870 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.931 -3.919 -8.960 1.00 0.00 H new ATOM 838 N GLY A 55 -2.946 -1.758 -10.739 1.00 0.00 N ATOM 839 CA GLY A 55 -1.975 -1.442 -11.773 1.00 0.00 C ATOM 840 C GLY A 55 -0.698 -0.857 -11.167 1.00 0.00 C ATOM 841 O GLY A 55 -0.026 -0.042 -11.796 1.00 0.00 O ATOM 0 H GLY A 55 -2.656 -2.491 -10.092 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.734 -2.343 -12.338 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.407 -0.730 -12.477 1.00 0.00 H new ATOM 845 N PHE A 56 -0.403 -1.296 -9.952 1.00 0.00 N ATOM 846 CA PHE A 56 0.782 -0.825 -9.254 1.00 0.00 C ATOM 847 C PHE A 56 1.469 -1.970 -8.508 1.00 0.00 C ATOM 848 O PHE A 56 1.096 -3.132 -8.666 1.00 0.00 O ATOM 849 CB PHE A 56 0.317 0.223 -8.241 1.00 0.00 C ATOM 850 CG PHE A 56 0.172 1.630 -8.824 1.00 0.00 C ATOM 851 CD1 PHE A 56 -0.986 1.998 -9.434 1.00 0.00 C ATOM 852 CD2 PHE A 56 1.202 2.514 -8.731 1.00 0.00 C ATOM 853 CE1 PHE A 56 -1.120 3.304 -9.975 1.00 0.00 C ATOM 854 CE2 PHE A 56 1.068 3.820 -9.271 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.090 4.187 -9.882 1.00 0.00 C ATOM 0 H PHE A 56 -0.963 -1.972 -9.433 1.00 0.00 H new ATOM 0 HA PHE A 56 1.495 -0.412 -9.967 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.642 -0.088 -7.826 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.027 0.255 -7.414 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.804 1.297 -9.507 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.122 2.222 -8.246 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.040 3.596 -10.460 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.885 4.522 -9.197 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.192 5.180 -10.294 1.00 0.00 H new ATOM 865 N THR A 57 2.460 -1.603 -7.709 1.00 0.00 N ATOM 866 CA THR A 57 3.203 -2.585 -6.937 1.00 0.00 C ATOM 867 C THR A 57 3.838 -1.928 -5.710 1.00 0.00 C ATOM 868 O THR A 57 3.813 -0.706 -5.572 1.00 0.00 O ATOM 869 CB THR A 57 4.221 -3.246 -7.868 1.00 0.00 C ATOM 870 OG1 THR A 57 3.481 -3.521 -9.054 1.00 0.00 O ATOM 871 CG2 THR A 57 4.657 -4.626 -7.373 1.00 0.00 C ATOM 0 H THR A 57 2.766 -0.639 -7.579 1.00 0.00 H new ATOM 0 HA THR A 57 2.546 -3.362 -6.547 1.00 0.00 H new ATOM 0 HB THR A 57 5.095 -2.602 -7.965 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.640 -3.966 -8.819 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.379 -5.051 -8.070 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.115 -4.531 -6.388 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.788 -5.280 -7.308 1.00 0.00 H new ATOM 879 N VAL A 58 4.392 -2.770 -4.849 1.00 0.00 N ATOM 880 CA VAL A 58 5.032 -2.287 -3.638 1.00 0.00 C ATOM 881 C VAL A 58 6.217 -3.193 -3.296 1.00 0.00 C ATOM 882 O VAL A 58 6.284 -4.332 -3.755 1.00 0.00 O ATOM 883 CB VAL A 58 4.007 -2.192 -2.506 1.00 0.00 C ATOM 884 CG1 VAL A 58 4.259 -3.267 -1.446 1.00 0.00 C ATOM 885 CG2 VAL A 58 4.008 -0.795 -1.881 1.00 0.00 C ATOM 0 H VAL A 58 4.411 -3.783 -4.967 1.00 0.00 H new ATOM 0 HA VAL A 58 5.424 -1.281 -3.789 1.00 0.00 H new ATOM 0 HB VAL A 58 3.020 -2.367 -2.933 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.517 -3.177 -0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.184 -4.254 -1.903 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.256 -3.137 -1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.271 -0.755 -1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.997 -0.578 -1.476 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.757 -0.056 -2.642 1.00 0.00 H new ATOM 895 N THR A 59 7.123 -2.652 -2.494 1.00 0.00 N ATOM 896 CA THR A 59 8.301 -3.397 -2.086 1.00 0.00 C ATOM 897 C THR A 59 9.024 -2.672 -0.949 1.00 0.00 C ATOM 898 O THR A 59 8.800 -1.483 -0.725 1.00 0.00 O ATOM 899 CB THR A 59 9.176 -3.612 -3.323 1.00 0.00 C ATOM 900 OG1 THR A 59 9.923 -4.787 -3.020 1.00 0.00 O ATOM 901 CG2 THR A 59 10.241 -2.525 -3.483 1.00 0.00 C ATOM 0 H THR A 59 7.064 -1.706 -2.116 1.00 0.00 H new ATOM 0 HA THR A 59 8.032 -4.375 -1.686 1.00 0.00 H new ATOM 0 HB THR A 59 8.547 -3.638 -4.213 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.516 -5.000 -3.770 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.834 -2.725 -4.375 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.757 -1.553 -3.579 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.892 -2.522 -2.608 1.00 0.00 H new ATOM 909 N LEU A 60 9.876 -3.418 -0.261 1.00 0.00 N ATOM 910 CA LEU A 60 10.633 -2.861 0.847 1.00 0.00 C ATOM 911 C LEU A 60 11.898 -2.189 0.309 1.00 0.00 C ATOM 912 O LEU A 60 12.532 -2.700 -0.613 1.00 0.00 O ATOM 913 CB LEU A 60 10.908 -3.935 1.901 1.00 0.00 C ATOM 914 CG LEU A 60 11.104 -3.434 3.334 1.00 0.00 C ATOM 915 CD1 LEU A 60 12.237 -2.409 3.405 1.00 0.00 C ATOM 916 CD2 LEU A 60 9.796 -2.884 3.906 1.00 0.00 C ATOM 0 H LEU A 60 10.059 -4.404 -0.450 1.00 0.00 H new ATOM 0 HA LEU A 60 10.054 -2.090 1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.079 -4.643 1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.800 -4.487 1.605 1.00 0.00 H new ATOM 0 HG LEU A 60 11.396 -4.280 3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.356 -2.069 4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.165 -2.869 3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.998 -1.558 2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.963 -2.535 4.925 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.450 -2.054 3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.042 -3.671 3.911 1.00 0.00 H new ATOM 928 N VAL A 61 12.227 -1.054 0.907 1.00 0.00 N ATOM 929 CA VAL A 61 13.405 -0.307 0.500 1.00 0.00 C ATOM 930 C VAL A 61 14.343 -0.149 1.698 1.00 0.00 C ATOM 931 O VAL A 61 13.896 0.129 2.809 1.00 0.00 O ATOM 932 CB VAL A 61 12.989 1.031 -0.115 1.00 0.00 C ATOM 933 CG1 VAL A 61 11.800 1.633 0.636 1.00 0.00 C ATOM 934 CG2 VAL A 61 14.167 2.007 -0.150 1.00 0.00 C ATOM 0 H VAL A 61 11.698 -0.633 1.671 1.00 0.00 H new ATOM 0 HA VAL A 61 13.953 -0.848 -0.272 1.00 0.00 H new ATOM 0 HB VAL A 61 12.677 0.846 -1.143 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.524 2.583 0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.954 0.948 0.587 1.00 0.00 H new ATOM 0 HG13 VAL A 61 12.073 1.798 1.678 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.845 2.950 -0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.523 2.184 0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 61 14.973 1.583 -0.748 1.00 0.00 H new ATOM 944 N LYS A 62 15.628 -0.335 1.431 1.00 0.00 N ATOM 945 CA LYS A 62 16.633 -0.216 2.474 1.00 0.00 C ATOM 946 C LYS A 62 16.439 1.108 3.215 1.00 0.00 C ATOM 947 O LYS A 62 16.290 1.124 4.436 1.00 0.00 O ATOM 948 CB LYS A 62 18.036 -0.393 1.888 1.00 0.00 C ATOM 949 CG LYS A 62 18.097 -1.617 0.972 1.00 0.00 C ATOM 950 CD LYS A 62 18.129 -1.199 -0.500 1.00 0.00 C ATOM 951 CE LYS A 62 19.524 -1.398 -1.096 1.00 0.00 C ATOM 952 NZ LYS A 62 19.800 -0.367 -2.122 1.00 0.00 N ATOM 0 H LYS A 62 15.996 -0.567 0.508 1.00 0.00 H new ATOM 0 HA LYS A 62 16.516 -1.013 3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 62 18.315 0.499 1.328 1.00 0.00 H new ATOM 0 HB3 LYS A 62 18.760 -0.502 2.695 1.00 0.00 H new ATOM 0 HG2 LYS A 62 18.983 -2.207 1.206 1.00 0.00 H new ATOM 0 HG3 LYS A 62 17.232 -2.255 1.154 1.00 0.00 H new ATOM 0 HD2 LYS A 62 17.402 -1.784 -1.064 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.836 -0.153 -0.591 1.00 0.00 H new ATOM 0 HE2 LYS A 62 20.274 -1.345 -0.307 1.00 0.00 H new ATOM 0 HE3 LYS A 62 19.598 -2.391 -1.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 20.751 -0.516 -2.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 19.094 -0.437 -2.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 19.749 0.577 -1.688 1.00 0.00 H new ATOM 966 N ASP A 63 16.447 2.187 2.446 1.00 0.00 N ATOM 967 CA ASP A 63 16.273 3.513 3.015 1.00 0.00 C ATOM 968 C ASP A 63 17.455 3.827 3.934 1.00 0.00 C ATOM 969 O ASP A 63 18.437 3.087 3.964 1.00 0.00 O ATOM 970 CB ASP A 63 14.993 3.591 3.849 1.00 0.00 C ATOM 971 CG ASP A 63 14.184 4.878 3.673 1.00 0.00 C ATOM 972 OD1 ASP A 63 13.461 4.959 2.657 1.00 0.00 O ATOM 973 OD2 ASP A 63 14.308 5.751 4.559 1.00 0.00 O ATOM 0 H ASP A 63 16.571 2.170 1.434 1.00 0.00 H new ATOM 0 HA ASP A 63 16.212 4.227 2.194 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.358 2.743 3.593 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.256 3.486 4.902 1.00 0.00 H new ATOM 978 N GLU A 64 17.323 4.927 4.661 1.00 0.00 N ATOM 979 CA GLU A 64 18.368 5.349 5.578 1.00 0.00 C ATOM 980 C GLU A 64 18.802 4.179 6.462 1.00 0.00 C ATOM 981 O GLU A 64 19.876 3.613 6.266 1.00 0.00 O ATOM 982 CB GLU A 64 17.907 6.536 6.426 1.00 0.00 C ATOM 983 CG GLU A 64 19.059 7.512 6.675 1.00 0.00 C ATOM 984 CD GLU A 64 18.783 8.866 6.018 1.00 0.00 C ATOM 985 OE1 GLU A 64 17.623 9.320 6.121 1.00 0.00 O ATOM 986 OE2 GLU A 64 19.738 9.415 5.428 1.00 0.00 O ATOM 0 H GLU A 64 16.508 5.539 4.633 1.00 0.00 H new ATOM 0 HA GLU A 64 19.228 5.675 4.993 1.00 0.00 H new ATOM 0 HB2 GLU A 64 17.090 7.053 5.922 1.00 0.00 H new ATOM 0 HB3 GLU A 64 17.517 6.177 7.379 1.00 0.00 H new ATOM 0 HG2 GLU A 64 19.201 7.646 7.747 1.00 0.00 H new ATOM 0 HG3 GLU A 64 19.985 7.095 6.281 1.00 0.00 H new ATOM 993 N ASN A 65 17.944 3.851 7.417 1.00 0.00 N ATOM 994 CA ASN A 65 18.226 2.758 8.333 1.00 0.00 C ATOM 995 C ASN A 65 17.065 1.761 8.303 1.00 0.00 C ATOM 996 O ASN A 65 17.282 0.551 8.289 1.00 0.00 O ATOM 997 CB ASN A 65 18.375 3.266 9.768 1.00 0.00 C ATOM 998 CG ASN A 65 19.261 2.330 10.592 1.00 0.00 C ATOM 999 OD1 ASN A 65 18.798 1.570 11.427 1.00 0.00 O ATOM 1000 ND2 ASN A 65 20.557 2.426 10.312 1.00 0.00 N ATOM 0 H ASN A 65 17.054 4.322 7.576 1.00 0.00 H new ATOM 0 HA ASN A 65 19.157 2.287 8.019 1.00 0.00 H new ATOM 0 HB2 ASN A 65 18.806 4.267 9.760 1.00 0.00 H new ATOM 0 HB3 ASN A 65 17.392 3.346 10.233 1.00 0.00 H new ATOM 0 HD21 ASN A 65 21.231 1.842 10.808 1.00 0.00 H new ATOM 0 HD22 ASN A 65 20.878 3.083 9.601 1.00 0.00 H new ATOM 1007 N SER A 66 15.858 2.308 8.293 1.00 0.00 N ATOM 1008 CA SER A 66 14.663 1.482 8.264 1.00 0.00 C ATOM 1009 C SER A 66 14.905 0.241 7.402 1.00 0.00 C ATOM 1010 O SER A 66 14.857 0.314 6.175 1.00 0.00 O ATOM 1011 CB SER A 66 13.462 2.269 7.737 1.00 0.00 C ATOM 1012 OG SER A 66 13.217 3.446 8.501 1.00 0.00 O ATOM 0 H SER A 66 15.682 3.313 8.304 1.00 0.00 H new ATOM 0 HA SER A 66 14.439 1.170 9.284 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.636 2.542 6.696 1.00 0.00 H new ATOM 0 HB3 SER A 66 12.576 1.634 7.756 1.00 0.00 H new ATOM 0 HG SER A 66 12.444 3.921 8.131 1.00 0.00 H new ATOM 1018 N GLU A 67 15.160 -0.870 8.079 1.00 0.00 N ATOM 1019 CA GLU A 67 15.409 -2.125 7.390 1.00 0.00 C ATOM 1020 C GLU A 67 14.099 -2.707 6.856 1.00 0.00 C ATOM 1021 O GLU A 67 14.106 -3.512 5.926 1.00 0.00 O ATOM 1022 CB GLU A 67 16.118 -3.122 8.308 1.00 0.00 C ATOM 1023 CG GLU A 67 15.213 -3.538 9.469 1.00 0.00 C ATOM 1024 CD GLU A 67 15.930 -4.521 10.398 1.00 0.00 C ATOM 1025 OE1 GLU A 67 17.020 -4.150 10.884 1.00 0.00 O ATOM 1026 OE2 GLU A 67 15.370 -5.620 10.601 1.00 0.00 O ATOM 0 H GLU A 67 15.199 -0.927 9.097 1.00 0.00 H new ATOM 0 HA GLU A 67 16.067 -1.928 6.544 1.00 0.00 H new ATOM 0 HB2 GLU A 67 16.411 -4.003 7.737 1.00 0.00 H new ATOM 0 HB3 GLU A 67 17.033 -2.676 8.697 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.909 -2.656 10.032 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.304 -3.997 9.080 1.00 0.00 H new ATOM 1033 N SER A 68 13.005 -2.276 7.467 1.00 0.00 N ATOM 1034 CA SER A 68 11.689 -2.744 7.065 1.00 0.00 C ATOM 1035 C SER A 68 10.606 -1.877 7.708 1.00 0.00 C ATOM 1036 O SER A 68 9.527 -2.368 8.037 1.00 0.00 O ATOM 1037 CB SER A 68 11.488 -4.213 7.443 1.00 0.00 C ATOM 1038 OG SER A 68 10.460 -4.827 6.670 1.00 0.00 O ATOM 0 H SER A 68 13.003 -1.608 8.238 1.00 0.00 H new ATOM 0 HA SER A 68 11.613 -2.662 5.981 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.423 -4.755 7.300 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.237 -4.284 8.501 1.00 0.00 H new ATOM 0 HG SER A 68 9.649 -4.278 6.710 1.00 0.00 H new ATOM 1044 N LYS A 69 10.930 -0.603 7.869 1.00 0.00 N ATOM 1045 CA LYS A 69 9.998 0.337 8.467 1.00 0.00 C ATOM 1046 C LYS A 69 9.544 1.344 7.408 1.00 0.00 C ATOM 1047 O LYS A 69 8.919 2.352 7.732 1.00 0.00 O ATOM 1048 CB LYS A 69 10.614 0.987 9.708 1.00 0.00 C ATOM 1049 CG LYS A 69 11.048 -0.073 10.723 1.00 0.00 C ATOM 1050 CD LYS A 69 12.133 0.473 11.655 1.00 0.00 C ATOM 1051 CE LYS A 69 12.089 -0.227 13.015 1.00 0.00 C ATOM 1052 NZ LYS A 69 11.094 0.420 13.899 1.00 0.00 N ATOM 0 H LYS A 69 11.826 -0.199 7.595 1.00 0.00 H new ATOM 0 HA LYS A 69 9.106 -0.183 8.816 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.473 1.591 9.418 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.891 1.661 10.167 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.187 -0.394 11.310 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.422 -0.952 10.199 1.00 0.00 H new ATOM 0 HD2 LYS A 69 13.113 0.331 11.200 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.996 1.546 11.789 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.836 -1.279 12.881 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.074 -0.193 13.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.077 -0.067 14.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.352 1.417 14.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.153 0.365 13.461 1.00 0.00 H new ATOM 1066 N VAL A 70 9.876 1.034 6.163 1.00 0.00 N ATOM 1067 CA VAL A 70 9.511 1.899 5.054 1.00 0.00 C ATOM 1068 C VAL A 70 9.478 1.078 3.763 1.00 0.00 C ATOM 1069 O VAL A 70 10.154 0.056 3.655 1.00 0.00 O ATOM 1070 CB VAL A 70 10.469 3.090 4.981 1.00 0.00 C ATOM 1071 CG1 VAL A 70 11.917 2.620 4.836 1.00 0.00 C ATOM 1072 CG2 VAL A 70 10.082 4.036 3.843 1.00 0.00 C ATOM 0 H VAL A 70 10.394 0.196 5.898 1.00 0.00 H new ATOM 0 HA VAL A 70 8.513 2.311 5.203 1.00 0.00 H new ATOM 0 HB VAL A 70 10.389 3.643 5.917 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.577 3.486 4.786 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.188 2.006 5.695 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.019 2.033 3.923 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.779 4.874 3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.119 3.499 2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.072 4.410 4.009 1.00 0.00 H new ATOM 1082 N PHE A 71 8.685 1.557 2.815 1.00 0.00 N ATOM 1083 CA PHE A 71 8.555 0.880 1.536 1.00 0.00 C ATOM 1084 C PHE A 71 8.345 1.887 0.403 1.00 0.00 C ATOM 1085 O PHE A 71 8.250 3.089 0.645 1.00 0.00 O ATOM 1086 CB PHE A 71 7.326 -0.026 1.632 1.00 0.00 C ATOM 1087 CG PHE A 71 6.092 0.660 2.221 1.00 0.00 C ATOM 1088 CD1 PHE A 71 6.083 1.038 3.528 1.00 0.00 C ATOM 1089 CD2 PHE A 71 5.003 0.891 1.440 1.00 0.00 C ATOM 1090 CE1 PHE A 71 4.938 1.674 4.075 1.00 0.00 C ATOM 1091 CE2 PHE A 71 3.858 1.527 1.987 1.00 0.00 C ATOM 1092 CZ PHE A 71 3.849 1.905 3.293 1.00 0.00 C ATOM 0 H PHE A 71 8.126 2.405 2.907 1.00 0.00 H new ATOM 0 HA PHE A 71 9.461 0.314 1.320 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.082 -0.397 0.637 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.574 -0.893 2.244 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.947 0.854 4.149 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.009 0.590 0.403 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.931 1.975 5.112 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.994 1.711 1.366 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.978 2.388 3.709 1.00 0.00 H new ATOM 1102 N GLN A 72 8.278 1.358 -0.810 1.00 0.00 N ATOM 1103 CA GLN A 72 8.081 2.195 -1.982 1.00 0.00 C ATOM 1104 C GLN A 72 6.893 1.688 -2.803 1.00 0.00 C ATOM 1105 O GLN A 72 6.549 0.509 -2.739 1.00 0.00 O ATOM 1106 CB GLN A 72 9.351 2.254 -2.833 1.00 0.00 C ATOM 1107 CG GLN A 72 10.335 3.286 -2.278 1.00 0.00 C ATOM 1108 CD GLN A 72 11.559 3.420 -3.187 1.00 0.00 C ATOM 1109 OE1 GLN A 72 11.954 4.504 -3.583 1.00 0.00 O ATOM 1110 NE2 GLN A 72 12.134 2.261 -3.494 1.00 0.00 N ATOM 0 H GLN A 72 8.357 0.360 -1.007 1.00 0.00 H new ATOM 0 HA GLN A 72 7.860 3.209 -1.648 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.823 1.272 -2.857 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.093 2.508 -3.861 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.840 4.252 -2.184 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.651 2.991 -1.277 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.751 1.389 -3.128 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.958 2.244 -4.095 1.00 0.00 H new ATOM 1119 N LEU A 73 6.301 2.604 -3.554 1.00 0.00 N ATOM 1120 CA LEU A 73 5.159 2.264 -4.387 1.00 0.00 C ATOM 1121 C LEU A 73 5.611 2.156 -5.845 1.00 0.00 C ATOM 1122 O LEU A 73 5.695 3.162 -6.548 1.00 0.00 O ATOM 1123 CB LEU A 73 4.020 3.262 -4.168 1.00 0.00 C ATOM 1124 CG LEU A 73 2.686 2.913 -4.830 1.00 0.00 C ATOM 1125 CD1 LEU A 73 1.969 1.799 -4.065 1.00 0.00 C ATOM 1126 CD2 LEU A 73 1.809 4.157 -4.986 1.00 0.00 C ATOM 0 H LEU A 73 6.590 3.581 -3.604 1.00 0.00 H new ATOM 0 HA LEU A 73 4.757 1.291 -4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.855 3.365 -3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.342 4.236 -4.536 1.00 0.00 H new ATOM 0 HG LEU A 73 2.891 2.536 -5.832 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.023 1.570 -4.557 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.595 0.907 -4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.777 2.125 -3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.867 3.881 -5.459 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.610 4.587 -4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.325 4.891 -5.606 1.00 0.00 H new ATOM 1138 N LEU A 74 5.889 0.928 -6.256 1.00 0.00 N ATOM 1139 CA LEU A 74 6.329 0.676 -7.617 1.00 0.00 C ATOM 1140 C LEU A 74 5.118 0.688 -8.551 1.00 0.00 C ATOM 1141 O LEU A 74 4.019 0.303 -8.154 1.00 0.00 O ATOM 1142 CB LEU A 74 7.146 -0.616 -7.686 1.00 0.00 C ATOM 1143 CG LEU A 74 8.575 -0.536 -7.146 1.00 0.00 C ATOM 1144 CD1 LEU A 74 8.796 -1.552 -6.024 1.00 0.00 C ATOM 1145 CD2 LEU A 74 9.597 -0.697 -8.274 1.00 0.00 C ATOM 0 H LEU A 74 5.818 0.096 -5.670 1.00 0.00 H new ATOM 0 HA LEU A 74 6.999 1.468 -7.953 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.613 -1.389 -7.133 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.189 -0.940 -8.726 1.00 0.00 H new ATOM 0 HG LEU A 74 8.722 0.455 -6.716 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.820 -1.473 -5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.103 -1.349 -5.208 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.623 -2.558 -6.405 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.605 -0.636 -7.863 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.459 -1.665 -8.755 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.456 0.096 -9.008 1.00 0.00 H new ATOM 1157 N HIS A 75 5.359 1.135 -9.775 1.00 0.00 N ATOM 1158 CA HIS A 75 4.301 1.203 -10.769 1.00 0.00 C ATOM 1159 C HIS A 75 4.822 0.680 -12.109 1.00 0.00 C ATOM 1160 O HIS A 75 5.435 1.424 -12.874 1.00 0.00 O ATOM 1161 CB HIS A 75 3.735 2.621 -10.865 1.00 0.00 C ATOM 1162 CG HIS A 75 2.814 2.837 -12.042 1.00 0.00 C ATOM 1163 ND1 HIS A 75 1.485 2.571 -12.194 1.00 0.00 N flip ATOM 1164 CD2 HIS A 75 3.242 3.385 -13.238 1.00 0.00 C flip ATOM 1165 CE1 HIS A 75 1.121 2.939 -13.416 1.00 0.00 C flip ATOM 1166 NE2 HIS A 75 2.209 3.443 -14.065 1.00 0.00 N flip ATOM 0 H HIS A 75 6.271 1.454 -10.101 1.00 0.00 H new ATOM 0 HA HIS A 75 3.471 0.564 -10.467 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.193 2.848 -9.947 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.562 3.328 -10.930 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.248 3.710 -13.460 1.00 0.00 H new ATOM 0 HE1 HIS A 75 0.127 2.853 -13.829 1.00 0.00 H new ATOM 0 HE2 HIS A 75 2.225 3.802 -15.020 1.00 0.00 H new ATOM 1174 N LYS A 76 4.559 -0.595 -12.354 1.00 0.00 N ATOM 1175 CA LYS A 76 4.994 -1.226 -13.588 1.00 0.00 C ATOM 1176 C LYS A 76 6.467 -1.619 -13.464 1.00 0.00 C ATOM 1177 O LYS A 76 7.059 -2.130 -14.413 1.00 0.00 O ATOM 1178 CB LYS A 76 4.699 -0.320 -14.785 1.00 0.00 C ATOM 1179 CG LYS A 76 3.324 0.339 -14.649 1.00 0.00 C ATOM 1180 CD LYS A 76 2.796 0.794 -16.011 1.00 0.00 C ATOM 1181 CE LYS A 76 1.779 -0.206 -16.566 1.00 0.00 C ATOM 1182 NZ LYS A 76 1.784 -0.183 -18.046 1.00 0.00 N ATOM 0 H LYS A 76 4.050 -1.209 -11.718 1.00 0.00 H new ATOM 0 HA LYS A 76 4.433 -2.144 -13.765 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.468 0.448 -14.862 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.737 -0.903 -15.705 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.623 -0.364 -14.200 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.392 1.195 -13.977 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.332 1.776 -15.916 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.626 0.900 -16.710 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.016 -1.209 -16.211 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.783 0.036 -16.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.088 -0.867 -18.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.536 0.771 -18.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.731 -0.436 -18.394 1.00 0.00 H new ATOM 1196 N GLY A 77 7.016 -1.367 -12.285 1.00 0.00 N ATOM 1197 CA GLY A 77 8.409 -1.689 -12.024 1.00 0.00 C ATOM 1198 C GLY A 77 9.179 -0.452 -11.558 1.00 0.00 C ATOM 1199 O GLY A 77 10.204 -0.570 -10.887 1.00 0.00 O ATOM 0 H GLY A 77 6.522 -0.944 -11.500 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.470 -2.468 -11.264 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.869 -2.089 -12.927 1.00 0.00 H new ATOM 1203 N MET A 78 8.657 0.707 -11.932 1.00 0.00 N ATOM 1204 CA MET A 78 9.283 1.965 -11.560 1.00 0.00 C ATOM 1205 C MET A 78 8.708 2.496 -10.246 1.00 0.00 C ATOM 1206 O MET A 78 7.508 2.387 -10.000 1.00 0.00 O ATOM 1207 CB MET A 78 9.058 2.994 -12.669 1.00 0.00 C ATOM 1208 CG MET A 78 9.613 2.493 -14.004 1.00 0.00 C ATOM 1209 SD MET A 78 8.282 2.270 -15.173 1.00 0.00 S ATOM 1210 CE MET A 78 8.398 0.509 -15.443 1.00 0.00 C ATOM 0 H MET A 78 7.808 0.802 -12.489 1.00 0.00 H new ATOM 0 HA MET A 78 10.351 1.792 -11.424 1.00 0.00 H new ATOM 0 HB2 MET A 78 7.992 3.199 -12.768 1.00 0.00 H new ATOM 0 HB3 MET A 78 9.540 3.934 -12.401 1.00 0.00 H new ATOM 0 HG2 MET A 78 10.337 3.206 -14.397 1.00 0.00 H new ATOM 0 HG3 MET A 78 10.141 1.551 -13.857 1.00 0.00 H new ATOM 0 HE1 MET A 78 7.475 0.149 -15.898 1.00 0.00 H new ATOM 0 HE2 MET A 78 9.237 0.297 -16.106 1.00 0.00 H new ATOM 0 HE3 MET A 78 8.553 0.004 -14.489 1.00 0.00 H new ATOM 1220 N VAL A 79 9.592 3.060 -9.436 1.00 0.00 N ATOM 1221 CA VAL A 79 9.188 3.609 -8.152 1.00 0.00 C ATOM 1222 C VAL A 79 8.326 4.852 -8.383 1.00 0.00 C ATOM 1223 O VAL A 79 8.628 5.669 -9.252 1.00 0.00 O ATOM 1224 CB VAL A 79 10.420 3.888 -7.291 1.00 0.00 C ATOM 1225 CG1 VAL A 79 10.047 4.692 -6.044 1.00 0.00 C ATOM 1226 CG2 VAL A 79 11.130 2.586 -6.911 1.00 0.00 C ATOM 0 H VAL A 79 10.587 3.149 -9.644 1.00 0.00 H new ATOM 0 HA VAL A 79 8.581 2.889 -7.603 1.00 0.00 H new ATOM 0 HB VAL A 79 11.112 4.488 -7.882 1.00 0.00 H new ATOM 0 HG11 VAL A 79 10.941 4.877 -5.449 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.607 5.643 -6.343 1.00 0.00 H new ATOM 0 HG13 VAL A 79 9.326 4.129 -5.450 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.003 2.813 -6.299 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.447 1.950 -6.348 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.446 2.067 -7.816 1.00 0.00 H new ATOM 1236 N PHE A 80 7.270 4.956 -7.590 1.00 0.00 N ATOM 1237 CA PHE A 80 6.362 6.086 -7.697 1.00 0.00 C ATOM 1238 C PHE A 80 6.517 7.028 -6.501 1.00 0.00 C ATOM 1239 O PHE A 80 6.448 8.247 -6.653 1.00 0.00 O ATOM 1240 CB PHE A 80 4.941 5.519 -7.704 1.00 0.00 C ATOM 1241 CG PHE A 80 3.866 6.540 -8.082 1.00 0.00 C ATOM 1242 CD1 PHE A 80 3.887 7.127 -9.308 1.00 0.00 C ATOM 1243 CD2 PHE A 80 2.889 6.860 -7.191 1.00 0.00 C ATOM 1244 CE1 PHE A 80 2.889 8.075 -9.659 1.00 0.00 C ATOM 1245 CE2 PHE A 80 1.891 7.807 -7.541 1.00 0.00 C ATOM 1246 CZ PHE A 80 1.912 8.395 -8.768 1.00 0.00 C ATOM 0 H PHE A 80 7.023 4.277 -6.871 1.00 0.00 H new ATOM 0 HA PHE A 80 6.578 6.653 -8.603 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.897 4.684 -8.404 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.716 5.118 -6.716 1.00 0.00 H new ATOM 0 HD1 PHE A 80 4.663 6.873 -10.015 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.873 6.393 -6.217 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.906 8.542 -10.633 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.115 8.061 -6.834 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.153 9.116 -9.034 1.00 0.00 H new ATOM 1256 N TYR A 81 6.722 6.428 -5.338 1.00 0.00 N ATOM 1257 CA TYR A 81 6.887 7.198 -4.117 1.00 0.00 C ATOM 1258 C TYR A 81 7.438 6.325 -2.988 1.00 0.00 C ATOM 1259 O TYR A 81 7.464 5.100 -3.101 1.00 0.00 O ATOM 1260 CB TYR A 81 5.488 7.684 -3.733 1.00 0.00 C ATOM 1261 CG TYR A 81 5.072 8.988 -4.416 1.00 0.00 C ATOM 1262 CD1 TYR A 81 5.973 10.028 -4.523 1.00 0.00 C ATOM 1263 CD2 TYR A 81 3.797 9.124 -4.926 1.00 0.00 C ATOM 1264 CE1 TYR A 81 5.582 11.256 -5.166 1.00 0.00 C ATOM 1265 CE2 TYR A 81 3.406 10.352 -5.569 1.00 0.00 C ATOM 1266 CZ TYR A 81 4.318 11.357 -5.658 1.00 0.00 C ATOM 1267 OH TYR A 81 3.949 12.516 -6.265 1.00 0.00 O ATOM 0 H TYR A 81 6.778 5.417 -5.215 1.00 0.00 H new ATOM 0 HA TYR A 81 7.587 8.019 -4.273 1.00 0.00 H new ATOM 0 HB2 TYR A 81 4.764 6.908 -3.983 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.447 7.823 -2.653 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.971 9.921 -4.125 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.092 8.310 -4.843 1.00 0.00 H new ATOM 0 HE1 TYR A 81 6.277 12.078 -5.255 1.00 0.00 H new ATOM 0 HE2 TYR A 81 2.411 10.472 -5.971 1.00 0.00 H new ATOM 0 HH TYR A 81 3.020 12.445 -6.568 1.00 0.00 H new ATOM 1277 N VAL A 82 7.866 6.989 -1.924 1.00 0.00 N ATOM 1278 CA VAL A 82 8.415 6.289 -0.776 1.00 0.00 C ATOM 1279 C VAL A 82 7.479 6.468 0.421 1.00 0.00 C ATOM 1280 O VAL A 82 7.349 7.569 0.953 1.00 0.00 O ATOM 1281 CB VAL A 82 9.839 6.775 -0.498 1.00 0.00 C ATOM 1282 CG1 VAL A 82 10.418 6.097 0.745 1.00 0.00 C ATOM 1283 CG2 VAL A 82 10.741 6.553 -1.714 1.00 0.00 C ATOM 0 H VAL A 82 7.843 8.005 -1.833 1.00 0.00 H new ATOM 0 HA VAL A 82 8.484 5.220 -0.978 1.00 0.00 H new ATOM 0 HB VAL A 82 9.795 7.847 -0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 82 11.431 6.461 0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.795 6.329 1.609 1.00 0.00 H new ATOM 0 HG13 VAL A 82 10.441 5.018 0.593 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.747 6.907 -1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.775 5.490 -1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.344 7.104 -2.567 1.00 0.00 H new ATOM 1293 N PHE A 83 6.851 5.368 0.810 1.00 0.00 N ATOM 1294 CA PHE A 83 5.930 5.389 1.934 1.00 0.00 C ATOM 1295 C PHE A 83 6.565 4.757 3.174 1.00 0.00 C ATOM 1296 O PHE A 83 7.023 3.617 3.129 1.00 0.00 O ATOM 1297 CB PHE A 83 4.707 4.566 1.526 1.00 0.00 C ATOM 1298 CG PHE A 83 3.796 5.264 0.515 1.00 0.00 C ATOM 1299 CD1 PHE A 83 3.306 6.504 0.783 1.00 0.00 C ATOM 1300 CD2 PHE A 83 3.476 4.645 -0.653 1.00 0.00 C ATOM 1301 CE1 PHE A 83 2.460 7.152 -0.156 1.00 0.00 C ATOM 1302 CE2 PHE A 83 2.630 5.293 -1.592 1.00 0.00 C ATOM 1303 CZ PHE A 83 2.140 6.533 -1.323 1.00 0.00 C ATOM 0 H PHE A 83 6.962 4.456 0.367 1.00 0.00 H new ATOM 0 HA PHE A 83 5.665 6.418 2.179 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.044 3.619 1.103 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.128 4.329 2.418 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.560 6.996 1.710 1.00 0.00 H new ATOM 0 HD2 PHE A 83 3.865 3.660 -0.867 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.071 8.137 0.057 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.376 4.801 -2.519 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.497 7.026 -2.037 1.00 0.00 H new ATOM 1313 N LYS A 84 6.572 5.527 4.253 1.00 0.00 N ATOM 1314 CA LYS A 84 7.143 5.057 5.504 1.00 0.00 C ATOM 1315 C LYS A 84 6.027 4.887 6.537 1.00 0.00 C ATOM 1316 O LYS A 84 5.168 5.757 6.677 1.00 0.00 O ATOM 1317 CB LYS A 84 8.269 5.986 5.962 1.00 0.00 C ATOM 1318 CG LYS A 84 8.737 5.626 7.373 1.00 0.00 C ATOM 1319 CD LYS A 84 9.292 6.854 8.097 1.00 0.00 C ATOM 1320 CE LYS A 84 10.681 6.571 8.672 1.00 0.00 C ATOM 1321 NZ LYS A 84 10.593 5.598 9.784 1.00 0.00 N ATOM 0 H LYS A 84 6.191 6.473 4.286 1.00 0.00 H new ATOM 0 HA LYS A 84 7.604 4.079 5.368 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.107 5.917 5.268 1.00 0.00 H new ATOM 0 HB3 LYS A 84 7.923 7.020 5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.905 5.210 7.941 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.504 4.853 7.319 1.00 0.00 H new ATOM 0 HD2 LYS A 84 9.345 7.695 7.405 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.614 7.144 8.900 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.332 6.181 7.890 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.130 7.499 9.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 11.542 5.430 10.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.975 5.977 10.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 10.200 4.702 9.431 1.00 0.00 H new ATOM 1335 N ALA A 85 6.076 3.761 7.234 1.00 0.00 N ATOM 1336 CA ALA A 85 5.079 3.466 8.250 1.00 0.00 C ATOM 1337 C ALA A 85 5.634 3.841 9.626 1.00 0.00 C ATOM 1338 O ALA A 85 6.843 3.785 9.848 1.00 0.00 O ATOM 1339 CB ALA A 85 4.683 1.991 8.164 1.00 0.00 C ATOM 0 H ALA A 85 6.790 3.042 7.115 1.00 0.00 H new ATOM 0 HA ALA A 85 4.177 4.056 8.086 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.935 1.770 8.926 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.269 1.782 7.178 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.562 1.368 8.327 1.00 0.00 H new ATOM 1345 N ASP A 86 4.724 4.216 10.513 1.00 0.00 N ATOM 1346 CA ASP A 86 5.108 4.600 11.861 1.00 0.00 C ATOM 1347 C ASP A 86 6.056 3.547 12.437 1.00 0.00 C ATOM 1348 O ASP A 86 7.216 3.841 12.722 1.00 0.00 O ATOM 1349 CB ASP A 86 3.885 4.687 12.777 1.00 0.00 C ATOM 1350 CG ASP A 86 3.471 6.107 13.170 1.00 0.00 C ATOM 1351 OD1 ASP A 86 4.385 6.892 13.505 1.00 0.00 O ATOM 1352 OD2 ASP A 86 2.251 6.375 13.127 1.00 0.00 O ATOM 0 H ASP A 86 3.723 4.262 10.325 1.00 0.00 H new ATOM 0 HA ASP A 86 5.591 5.576 11.809 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.043 4.203 12.281 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.089 4.120 13.685 1.00 0.00 H new ATOM 1357 N ASP A 87 5.528 2.342 12.590 1.00 0.00 N ATOM 1358 CA ASP A 87 6.313 1.243 13.126 1.00 0.00 C ATOM 1359 C ASP A 87 6.699 0.295 11.990 1.00 0.00 C ATOM 1360 O ASP A 87 6.370 0.543 10.831 1.00 0.00 O ATOM 1361 CB ASP A 87 5.512 0.445 14.157 1.00 0.00 C ATOM 1362 CG ASP A 87 5.906 0.691 15.614 1.00 0.00 C ATOM 1363 OD1 ASP A 87 7.058 0.345 15.956 1.00 0.00 O ATOM 1364 OD2 ASP A 87 5.048 1.218 16.354 1.00 0.00 O ATOM 0 H ASP A 87 4.566 2.102 12.352 1.00 0.00 H new ATOM 0 HA ASP A 87 7.198 1.663 13.604 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.455 0.683 14.037 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.626 -0.617 13.940 1.00 0.00 H new ATOM 1369 N ALA A 88 7.391 -0.772 12.361 1.00 0.00 N ATOM 1370 CA ALA A 88 7.825 -1.759 11.387 1.00 0.00 C ATOM 1371 C ALA A 88 6.660 -2.696 11.062 1.00 0.00 C ATOM 1372 O ALA A 88 6.369 -2.949 9.894 1.00 0.00 O ATOM 1373 CB ALA A 88 9.044 -2.509 11.928 1.00 0.00 C ATOM 0 H ALA A 88 7.662 -0.975 13.323 1.00 0.00 H new ATOM 0 HA ALA A 88 8.127 -1.275 10.458 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.369 -3.249 11.197 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.853 -1.802 12.114 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.779 -3.010 12.859 1.00 0.00 H new ATOM 1379 N HIS A 89 6.025 -3.186 12.117 1.00 0.00 N ATOM 1380 CA HIS A 89 4.898 -4.089 11.959 1.00 0.00 C ATOM 1381 C HIS A 89 3.910 -3.505 10.948 1.00 0.00 C ATOM 1382 O HIS A 89 3.329 -4.237 10.148 1.00 0.00 O ATOM 1383 CB HIS A 89 4.252 -4.394 13.312 1.00 0.00 C ATOM 1384 CG HIS A 89 5.024 -5.382 14.153 1.00 0.00 C ATOM 1385 ND1 HIS A 89 4.874 -6.752 14.026 1.00 0.00 N ATOM 1386 CD2 HIS A 89 5.954 -5.186 15.131 1.00 0.00 C ATOM 1387 CE1 HIS A 89 5.681 -7.344 14.895 1.00 0.00 C ATOM 1388 NE2 HIS A 89 6.349 -6.371 15.579 1.00 0.00 N ATOM 0 H HIS A 89 6.270 -2.975 13.084 1.00 0.00 H new ATOM 0 HA HIS A 89 5.245 -5.044 11.565 1.00 0.00 H new ATOM 0 HB2 HIS A 89 4.145 -3.464 13.870 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.248 -4.782 13.144 1.00 0.00 H new ATOM 0 HD2 HIS A 89 6.309 -4.228 15.482 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.790 -8.409 15.037 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.039 -6.528 16.314 1.00 0.00 H new ATOM 1396 N SER A 90 3.749 -2.192 11.017 1.00 0.00 N ATOM 1397 CA SER A 90 2.840 -1.501 10.118 1.00 0.00 C ATOM 1398 C SER A 90 3.307 -1.670 8.671 1.00 0.00 C ATOM 1399 O SER A 90 2.513 -2.010 7.795 1.00 0.00 O ATOM 1400 CB SER A 90 2.738 -0.016 10.472 1.00 0.00 C ATOM 1401 OG SER A 90 1.852 0.213 11.564 1.00 0.00 O ATOM 0 H SER A 90 4.233 -1.588 11.682 1.00 0.00 H new ATOM 0 HA SER A 90 1.849 -1.942 10.228 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.728 0.366 10.722 1.00 0.00 H new ATOM 0 HB3 SER A 90 2.392 0.541 9.601 1.00 0.00 H new ATOM 0 HG SER A 90 1.816 1.172 11.760 1.00 0.00 H new ATOM 1407 N THR A 91 4.593 -1.426 8.465 1.00 0.00 N ATOM 1408 CA THR A 91 5.175 -1.547 7.139 1.00 0.00 C ATOM 1409 C THR A 91 4.589 -2.758 6.409 1.00 0.00 C ATOM 1410 O THR A 91 3.904 -2.606 5.399 1.00 0.00 O ATOM 1411 CB THR A 91 6.696 -1.608 7.294 1.00 0.00 C ATOM 1412 OG1 THR A 91 7.014 -0.443 8.049 1.00 0.00 O ATOM 1413 CG2 THR A 91 7.428 -1.403 5.966 1.00 0.00 C ATOM 0 H THR A 91 5.248 -1.145 9.194 1.00 0.00 H new ATOM 0 HA THR A 91 4.932 -0.684 6.519 1.00 0.00 H new ATOM 0 HB THR A 91 6.980 -2.570 7.720 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.078 0.329 7.448 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.504 -1.456 6.132 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.131 -2.181 5.263 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.171 -0.426 5.556 1.00 0.00 H new ATOM 1421 N GLN A 92 4.881 -3.932 6.948 1.00 0.00 N ATOM 1422 CA GLN A 92 4.393 -5.168 6.361 1.00 0.00 C ATOM 1423 C GLN A 92 2.919 -5.025 5.973 1.00 0.00 C ATOM 1424 O GLN A 92 2.546 -5.287 4.831 1.00 0.00 O ATOM 1425 CB GLN A 92 4.597 -6.347 7.314 1.00 0.00 C ATOM 1426 CG GLN A 92 6.017 -6.906 7.198 1.00 0.00 C ATOM 1427 CD GLN A 92 6.173 -7.744 5.928 1.00 0.00 C ATOM 1428 OE1 GLN A 92 5.752 -8.887 5.851 1.00 0.00 O ATOM 1429 NE2 GLN A 92 6.801 -7.115 4.938 1.00 0.00 N ATOM 0 H GLN A 92 5.450 -4.054 7.786 1.00 0.00 H new ATOM 0 HA GLN A 92 4.969 -5.370 5.458 1.00 0.00 H new ATOM 0 HB2 GLN A 92 4.411 -6.027 8.339 1.00 0.00 H new ATOM 0 HB3 GLN A 92 3.874 -7.131 7.088 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.735 -6.086 7.188 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.244 -7.517 8.072 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.128 -6.158 5.068 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.955 -7.590 4.049 1.00 0.00 H new ATOM 1438 N ARG A 93 2.122 -4.610 6.947 1.00 0.00 N ATOM 1439 CA ARG A 93 0.698 -4.430 6.722 1.00 0.00 C ATOM 1440 C ARG A 93 0.461 -3.578 5.474 1.00 0.00 C ATOM 1441 O ARG A 93 -0.161 -4.034 4.516 1.00 0.00 O ATOM 1442 CB ARG A 93 0.032 -3.757 7.924 1.00 0.00 C ATOM 1443 CG ARG A 93 0.262 -4.565 9.203 1.00 0.00 C ATOM 1444 CD ARG A 93 -0.919 -4.417 10.165 1.00 0.00 C ATOM 1445 NE ARG A 93 -0.504 -3.650 11.361 1.00 0.00 N ATOM 1446 CZ ARG A 93 -1.345 -3.245 12.322 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -2.651 -3.530 12.233 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -0.880 -2.554 13.371 1.00 0.00 N ATOM 0 H ARG A 93 2.435 -4.393 7.893 1.00 0.00 H new ATOM 0 HA ARG A 93 0.257 -5.417 6.581 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.431 -2.750 8.049 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.038 -3.655 7.742 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.402 -5.617 8.953 1.00 0.00 H new ATOM 0 HG3 ARG A 93 1.177 -4.229 9.690 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.744 -3.909 9.666 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.283 -5.401 10.462 1.00 0.00 H new ATOM 0 HE ARG A 93 0.484 -3.415 11.460 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -3.005 -4.055 11.434 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -3.291 -3.222 12.965 1.00 0.00 H new ATOM 0 HH21 ARG A 93 0.114 -2.336 13.438 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -1.520 -2.246 14.103 1.00 0.00 H new ATOM 1462 N TRP A 94 0.971 -2.356 5.525 1.00 0.00 N ATOM 1463 CA TRP A 94 0.823 -1.436 4.409 1.00 0.00 C ATOM 1464 C TRP A 94 1.256 -2.164 3.135 1.00 0.00 C ATOM 1465 O TRP A 94 0.502 -2.228 2.166 1.00 0.00 O ATOM 1466 CB TRP A 94 1.606 -0.145 4.656 1.00 0.00 C ATOM 1467 CG TRP A 94 0.876 0.866 5.542 1.00 0.00 C ATOM 1468 CD1 TRP A 94 1.133 1.180 6.819 1.00 0.00 C ATOM 1469 CD2 TRP A 94 -0.248 1.688 5.163 1.00 0.00 C ATOM 1470 NE1 TRP A 94 0.260 2.140 7.289 1.00 0.00 N ATOM 1471 CE2 TRP A 94 -0.606 2.459 6.250 1.00 0.00 C ATOM 1472 CE3 TRP A 94 -0.940 1.777 3.942 1.00 0.00 C ATOM 1473 CZ2 TRP A 94 -1.666 3.374 6.226 1.00 0.00 C ATOM 1474 CZ3 TRP A 94 -1.996 2.695 3.934 1.00 0.00 C ATOM 1475 CH2 TRP A 94 -2.369 3.479 5.020 1.00 0.00 C ATOM 0 H TRP A 94 1.487 -1.981 6.321 1.00 0.00 H new ATOM 0 HA TRP A 94 -0.217 -1.129 4.297 1.00 0.00 H new ATOM 0 HB2 TRP A 94 2.561 -0.394 5.118 1.00 0.00 H new ATOM 0 HB3 TRP A 94 1.828 0.322 3.697 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.924 0.738 7.407 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.252 2.542 8.227 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.677 1.184 3.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -1.927 3.966 7.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.561 2.802 3.020 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -3.198 4.166 4.933 1.00 0.00 H new ATOM 1486 N ILE A 95 2.469 -2.695 3.179 1.00 0.00 N ATOM 1487 CA ILE A 95 3.012 -3.416 2.040 1.00 0.00 C ATOM 1488 C ILE A 95 1.949 -4.371 1.493 1.00 0.00 C ATOM 1489 O ILE A 95 1.493 -4.215 0.361 1.00 0.00 O ATOM 1490 CB ILE A 95 4.323 -4.107 2.419 1.00 0.00 C ATOM 1491 CG1 ILE A 95 5.431 -3.082 2.669 1.00 0.00 C ATOM 1492 CG2 ILE A 95 4.724 -5.139 1.362 1.00 0.00 C ATOM 1493 CD1 ILE A 95 6.784 -3.772 2.858 1.00 0.00 C ATOM 0 H ILE A 95 3.091 -2.640 3.985 1.00 0.00 H new ATOM 0 HA ILE A 95 3.264 -2.724 1.236 1.00 0.00 H new ATOM 0 HB ILE A 95 4.167 -4.647 3.353 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.486 -2.389 1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.193 -2.492 3.554 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.659 -5.616 1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.943 -5.894 1.276 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.856 -4.643 0.401 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.554 -3.021 3.034 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.732 -4.446 3.713 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.031 -4.341 1.962 1.00 0.00 H new ATOM 1505 N ASP A 96 1.585 -5.338 2.322 1.00 0.00 N ATOM 1506 CA ASP A 96 0.584 -6.318 1.936 1.00 0.00 C ATOM 1507 C ASP A 96 -0.680 -5.593 1.470 1.00 0.00 C ATOM 1508 O ASP A 96 -1.269 -5.955 0.453 1.00 0.00 O ATOM 1509 CB ASP A 96 0.207 -7.215 3.116 1.00 0.00 C ATOM 1510 CG ASP A 96 -0.661 -8.423 2.759 1.00 0.00 C ATOM 1511 OD1 ASP A 96 -0.067 -9.467 2.414 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -1.900 -8.275 2.840 1.00 0.00 O ATOM 0 H ASP A 96 1.965 -5.464 3.260 1.00 0.00 H new ATOM 0 HA ASP A 96 1.002 -6.931 1.137 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.122 -7.571 3.589 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -0.321 -6.613 3.856 1.00 0.00 H new ATOM 1517 N ALA A 97 -1.061 -4.582 2.237 1.00 0.00 N ATOM 1518 CA ALA A 97 -2.244 -3.803 1.916 1.00 0.00 C ATOM 1519 C ALA A 97 -2.151 -3.314 0.470 1.00 0.00 C ATOM 1520 O ALA A 97 -3.103 -3.449 -0.298 1.00 0.00 O ATOM 1521 CB ALA A 97 -2.383 -2.651 2.913 1.00 0.00 C ATOM 0 H ALA A 97 -0.571 -4.284 3.080 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.141 -4.416 1.999 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.271 -2.066 2.672 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.476 -3.052 3.922 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.502 -2.012 2.856 1.00 0.00 H new ATOM 1527 N PHE A 98 -0.995 -2.756 0.141 1.00 0.00 N ATOM 1528 CA PHE A 98 -0.765 -2.246 -1.200 1.00 0.00 C ATOM 1529 C PHE A 98 -0.652 -3.390 -2.210 1.00 0.00 C ATOM 1530 O PHE A 98 -1.180 -3.300 -3.317 1.00 0.00 O ATOM 1531 CB PHE A 98 0.559 -1.480 -1.167 1.00 0.00 C ATOM 1532 CG PHE A 98 0.418 -0.012 -0.758 1.00 0.00 C ATOM 1533 CD1 PHE A 98 -0.109 0.889 -1.630 1.00 0.00 C ATOM 1534 CD2 PHE A 98 0.820 0.391 0.477 1.00 0.00 C ATOM 1535 CE1 PHE A 98 -0.240 2.251 -1.250 1.00 0.00 C ATOM 1536 CE2 PHE A 98 0.689 1.754 0.856 1.00 0.00 C ATOM 1537 CZ PHE A 98 0.162 2.654 -0.015 1.00 0.00 C ATOM 0 H PHE A 98 -0.208 -2.646 0.780 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.596 -1.609 -1.503 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.237 -1.976 -0.473 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.020 -1.529 -2.153 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.428 0.569 -2.611 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.239 -0.325 1.169 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -0.659 2.967 -1.942 1.00 0.00 H new ATOM 0 HE2 PHE A 98 1.008 2.075 1.837 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.062 3.690 0.274 1.00 0.00 H new ATOM 1547 N GLN A 99 0.039 -4.440 -1.792 1.00 0.00 N ATOM 1548 CA GLN A 99 0.227 -5.601 -2.646 1.00 0.00 C ATOM 1549 C GLN A 99 -1.127 -6.187 -3.050 1.00 0.00 C ATOM 1550 O GLN A 99 -1.434 -6.288 -4.237 1.00 0.00 O ATOM 1551 CB GLN A 99 1.096 -6.654 -1.956 1.00 0.00 C ATOM 1552 CG GLN A 99 2.566 -6.495 -2.350 1.00 0.00 C ATOM 1553 CD GLN A 99 2.760 -6.729 -3.850 1.00 0.00 C ATOM 1554 OE1 GLN A 99 1.833 -7.035 -4.581 1.00 0.00 O ATOM 1555 NE2 GLN A 99 4.013 -6.567 -4.265 1.00 0.00 N ATOM 0 H GLN A 99 0.476 -4.511 -0.873 1.00 0.00 H new ATOM 0 HA GLN A 99 0.748 -5.283 -3.549 1.00 0.00 H new ATOM 0 HB2 GLN A 99 0.994 -6.563 -0.875 1.00 0.00 H new ATOM 0 HB3 GLN A 99 0.749 -7.651 -2.227 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.911 -5.495 -2.087 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.176 -7.201 -1.786 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.742 -6.310 -3.599 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.245 -6.700 -5.249 1.00 0.00 H new ATOM 1564 N GLU A 100 -1.901 -6.559 -2.041 1.00 0.00 N ATOM 1565 CA GLU A 100 -3.215 -7.133 -2.277 1.00 0.00 C ATOM 1566 C GLU A 100 -4.092 -6.148 -3.052 1.00 0.00 C ATOM 1567 O GLU A 100 -4.916 -6.556 -3.869 1.00 0.00 O ATOM 1568 CB GLU A 100 -3.879 -7.541 -0.960 1.00 0.00 C ATOM 1569 CG GLU A 100 -3.443 -8.946 -0.539 1.00 0.00 C ATOM 1570 CD GLU A 100 -4.475 -9.584 0.394 1.00 0.00 C ATOM 1571 OE1 GLU A 100 -4.760 -8.958 1.437 1.00 0.00 O ATOM 1572 OE2 GLU A 100 -4.955 -10.683 0.041 1.00 0.00 O ATOM 0 H GLU A 100 -1.643 -6.474 -1.058 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.095 -8.034 -2.879 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.618 -6.826 -0.180 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -4.963 -7.510 -1.070 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -3.312 -9.570 -1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -2.476 -8.896 -0.038 1.00 0.00 H new ATOM 1579 N GLY A 101 -3.887 -4.871 -2.767 1.00 0.00 N ATOM 1580 CA GLY A 101 -4.649 -3.825 -3.427 1.00 0.00 C ATOM 1581 C GLY A 101 -4.413 -3.845 -4.938 1.00 0.00 C ATOM 1582 O GLY A 101 -5.353 -4.013 -5.714 1.00 0.00 O ATOM 0 H GLY A 101 -3.204 -4.537 -2.087 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.711 -3.958 -3.219 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.364 -2.853 -3.024 1.00 0.00 H new ATOM 1586 N THR A 102 -3.154 -3.670 -5.311 1.00 0.00 N ATOM 1587 CA THR A 102 -2.783 -3.666 -6.715 1.00 0.00 C ATOM 1588 C THR A 102 -3.298 -4.930 -7.407 1.00 0.00 C ATOM 1589 O THR A 102 -3.809 -4.866 -8.524 1.00 0.00 O ATOM 1590 CB THR A 102 -1.264 -3.501 -6.802 1.00 0.00 C ATOM 1591 OG1 THR A 102 -0.751 -4.664 -6.157 1.00 0.00 O ATOM 1592 CG2 THR A 102 -0.750 -2.342 -5.946 1.00 0.00 C ATOM 0 H THR A 102 -2.378 -3.530 -4.664 1.00 0.00 H new ATOM 0 HA THR A 102 -3.246 -2.833 -7.244 1.00 0.00 H new ATOM 0 HB THR A 102 -0.976 -3.340 -7.841 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.293 -4.865 -5.366 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.333 -2.270 -6.044 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.208 -1.411 -6.281 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.009 -2.518 -4.902 1.00 0.00 H new ATOM 1600 N VAL A 103 -3.145 -6.049 -6.714 1.00 0.00 N ATOM 1601 CA VAL A 103 -3.588 -7.326 -7.247 1.00 0.00 C ATOM 1602 C VAL A 103 -5.054 -7.550 -6.870 1.00 0.00 C ATOM 1603 O VAL A 103 -5.743 -6.617 -6.462 1.00 0.00 O ATOM 1604 CB VAL A 103 -2.667 -8.445 -6.759 1.00 0.00 C ATOM 1605 CG1 VAL A 103 -1.217 -8.182 -7.172 1.00 0.00 C ATOM 1606 CG2 VAL A 103 -2.781 -8.627 -5.244 1.00 0.00 C ATOM 0 H VAL A 103 -2.720 -6.098 -5.788 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.529 -7.327 -8.335 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.987 -9.373 -7.233 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.583 -8.993 -6.812 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.153 -8.126 -8.259 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.881 -7.240 -6.740 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.116 -9.429 -4.923 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.500 -7.700 -4.744 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.808 -8.882 -4.984 1.00 0.00 H new ATOM 1616 N SER A 104 -5.487 -8.793 -7.019 1.00 0.00 N ATOM 1617 CA SER A 104 -6.858 -9.152 -6.699 1.00 0.00 C ATOM 1618 C SER A 104 -6.890 -10.499 -5.973 1.00 0.00 C ATOM 1619 O SER A 104 -7.952 -11.102 -5.824 1.00 0.00 O ATOM 1620 CB SER A 104 -7.721 -9.208 -7.961 1.00 0.00 C ATOM 1621 OG SER A 104 -9.098 -9.413 -7.656 1.00 0.00 O ATOM 0 H SER A 104 -4.912 -9.565 -7.357 1.00 0.00 H new ATOM 0 HA SER A 104 -7.269 -8.384 -6.044 1.00 0.00 H new ATOM 0 HB2 SER A 104 -7.608 -8.279 -8.520 1.00 0.00 H new ATOM 0 HB3 SER A 104 -7.369 -10.013 -8.606 1.00 0.00 H new ATOM 0 HG SER A 104 -9.178 -10.050 -6.915 1.00 0.00 H new ATOM 1627 N GLY A 105 -5.714 -10.930 -5.541 1.00 0.00 N ATOM 1628 CA GLY A 105 -5.595 -12.194 -4.834 1.00 0.00 C ATOM 1629 C GLY A 105 -4.570 -13.106 -5.511 1.00 0.00 C ATOM 1630 O GLY A 105 -4.301 -12.967 -6.703 1.00 0.00 O ATOM 0 H GLY A 105 -4.836 -10.427 -5.667 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -5.298 -12.011 -3.801 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.565 -12.691 -4.803 1.00 0.00 H new ATOM 1634 N PRO A 106 -4.010 -14.043 -4.699 1.00 0.00 N ATOM 1635 CA PRO A 106 -3.019 -14.977 -5.207 1.00 0.00 C ATOM 1636 C PRO A 106 -3.677 -16.062 -6.063 1.00 0.00 C ATOM 1637 O PRO A 106 -3.554 -17.249 -5.768 1.00 0.00 O ATOM 1638 CB PRO A 106 -2.332 -15.532 -3.970 1.00 0.00 C ATOM 1639 CG PRO A 106 -3.268 -15.243 -2.808 1.00 0.00 C ATOM 1640 CD PRO A 106 -4.303 -14.236 -3.282 1.00 0.00 C ATOM 0 HA PRO A 106 -2.295 -14.504 -5.870 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -2.153 -16.602 -4.070 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -1.362 -15.059 -3.817 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -3.753 -16.159 -2.472 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -2.711 -14.847 -1.959 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -5.316 -14.610 -3.134 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -4.226 -13.299 -2.730 1.00 0.00 H new ATOM 1648 N SER A 107 -4.360 -15.614 -7.106 1.00 0.00 N ATOM 1649 CA SER A 107 -5.037 -16.531 -8.007 1.00 0.00 C ATOM 1650 C SER A 107 -5.721 -15.751 -9.131 1.00 0.00 C ATOM 1651 O SER A 107 -5.816 -14.526 -9.073 1.00 0.00 O ATOM 1652 CB SER A 107 -6.061 -17.386 -7.256 1.00 0.00 C ATOM 1653 OG SER A 107 -6.313 -18.622 -7.918 1.00 0.00 O ATOM 0 H SER A 107 -4.459 -14.628 -7.347 1.00 0.00 H new ATOM 0 HA SER A 107 -4.291 -17.199 -8.438 1.00 0.00 H new ATOM 0 HB2 SER A 107 -5.699 -17.583 -6.247 1.00 0.00 H new ATOM 0 HB3 SER A 107 -6.994 -16.831 -7.157 1.00 0.00 H new ATOM 0 HG SER A 107 -6.970 -19.139 -7.407 1.00 0.00 H new ATOM 1659 N SER A 108 -6.179 -16.493 -10.129 1.00 0.00 N ATOM 1660 CA SER A 108 -6.851 -15.886 -11.265 1.00 0.00 C ATOM 1661 C SER A 108 -8.356 -16.149 -11.185 1.00 0.00 C ATOM 1662 O SER A 108 -8.784 -17.292 -11.030 1.00 0.00 O ATOM 1663 CB SER A 108 -6.290 -16.419 -12.585 1.00 0.00 C ATOM 1664 OG SER A 108 -4.893 -16.168 -12.711 1.00 0.00 O ATOM 0 H SER A 108 -6.098 -17.509 -10.174 1.00 0.00 H new ATOM 0 HA SER A 108 -6.674 -14.811 -11.232 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.473 -17.492 -12.650 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.818 -15.954 -13.417 1.00 0.00 H new ATOM 0 HG SER A 108 -4.572 -16.525 -13.566 1.00 0.00 H new ATOM 1670 N GLY A 109 -9.119 -15.071 -11.292 1.00 0.00 N ATOM 1671 CA GLY A 109 -10.567 -15.170 -11.234 1.00 0.00 C ATOM 1672 C GLY A 109 -11.175 -13.932 -10.571 1.00 0.00 C ATOM 1673 O GLY A 109 -11.963 -13.216 -11.189 1.00 0.00 O ATOM 0 H GLY A 109 -8.761 -14.124 -11.419 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -10.968 -15.281 -12.241 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -10.852 -16.062 -10.677 1.00 0.00 H new TER 1677 GLY A 109