USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 766 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 89 HIS : no HD1:sc= -0.493 K(o=-1.5,f=-2.3) USER MOD Set 1.2: A 93 SER OG : rot -140:sc= -0.969 USER MOD Set 2.1: A 62 MET CE :methyl -111:sc= -3.01! (180deg=-6.15!) USER MOD Set 2.2: A 68 CYS SG : rot -174:sc= -0.141 USER MOD Set 3.1: A 44 SER OG : rot 150:sc= 0.024 USER MOD Set 3.2: A 46 HIS :FLIP no HD1:sc= 0.0184 F(o=-0.76,f=0.042) USER MOD Single : A 1 GLY N :NH3+ 149:sc= 0.00771 (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= -0.0198 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -124:sc= -0.282 (180deg=-1.73!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 43:sc= 1.05 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 48:sc= 0.0399 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.592 X(o=-0.59,f=-0.23) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -112:sc= -7.69! (180deg=-12.5!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 66:sc= 0.933 USER MOD Single : A 51 SER OG : rot -140:sc= 1.02 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.264 K(o=-0.26,f=-2.9!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -2.5! K(o=-2.5!,f=-3.6) USER MOD Single : A 74 GLN : amide:sc= -0.076 K(o=-0.076,f=-1.9!) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -4.53! C(o=-4.5!,f=-6.8!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.813 -39.405 -0.175 1.00 0.00 N ATOM 2 CA GLY A 1 -0.003 -38.337 -0.730 1.00 0.00 C ATOM 3 C GLY A 1 0.534 -37.402 0.335 1.00 0.00 C ATOM 4 O GLY A 1 -0.151 -37.109 1.316 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.546 -39.677 -0.861 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.210 -40.227 0.031 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.264 -39.078 0.703 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.831 -38.768 -1.284 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.599 -37.767 -1.443 1.00 0.00 H new ATOM 8 N SER A 2 1.763 -36.933 0.145 1.00 0.00 N ATOM 9 CA SER A 2 2.393 -36.029 1.100 1.00 0.00 C ATOM 10 C SER A 2 3.239 -34.982 0.382 1.00 0.00 C ATOM 11 O SER A 2 3.594 -35.149 -0.785 1.00 0.00 O ATOM 12 CB SER A 2 3.262 -36.817 2.082 1.00 0.00 C ATOM 13 OG SER A 2 4.288 -37.522 1.404 1.00 0.00 O ATOM 0 H SER A 2 2.342 -37.164 -0.662 1.00 0.00 H new ATOM 0 HA SER A 2 1.605 -35.517 1.652 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.704 -36.136 2.809 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.641 -37.519 2.639 1.00 0.00 H new ATOM 0 HG SER A 2 4.830 -38.016 2.054 1.00 0.00 H new ATOM 19 N SER A 3 3.557 -33.902 1.088 1.00 0.00 N ATOM 20 CA SER A 3 4.358 -32.825 0.518 1.00 0.00 C ATOM 21 C SER A 3 5.673 -32.666 1.275 1.00 0.00 C ATOM 22 O SER A 3 6.747 -32.634 0.676 1.00 0.00 O ATOM 23 CB SER A 3 3.577 -31.510 0.548 1.00 0.00 C ATOM 24 OG SER A 3 2.776 -31.365 -0.611 1.00 0.00 O ATOM 0 H SER A 3 3.272 -33.749 2.056 1.00 0.00 H new ATOM 0 HA SER A 3 4.584 -33.082 -0.517 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.946 -31.479 1.436 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.271 -30.673 0.621 1.00 0.00 H new ATOM 0 HG SER A 3 2.286 -30.517 -0.566 1.00 0.00 H new ATOM 30 N GLY A 4 5.579 -32.568 2.598 1.00 0.00 N ATOM 31 CA GLY A 4 6.768 -32.414 3.416 1.00 0.00 C ATOM 32 C GLY A 4 7.347 -31.016 3.339 1.00 0.00 C ATOM 33 O GLY A 4 7.448 -30.437 2.258 1.00 0.00 O ATOM 0 H GLY A 4 4.701 -32.592 3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.525 -32.647 4.453 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.521 -33.134 3.096 1.00 0.00 H new ATOM 37 N SER A 5 7.728 -30.470 4.490 1.00 0.00 N ATOM 38 CA SER A 5 8.295 -29.128 4.550 1.00 0.00 C ATOM 39 C SER A 5 9.553 -29.108 5.414 1.00 0.00 C ATOM 40 O SER A 5 9.742 -29.968 6.274 1.00 0.00 O ATOM 41 CB SER A 5 7.266 -28.141 5.103 1.00 0.00 C ATOM 42 OG SER A 5 7.813 -26.838 5.205 1.00 0.00 O ATOM 0 H SER A 5 7.654 -30.937 5.394 1.00 0.00 H new ATOM 0 HA SER A 5 8.566 -28.829 3.538 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.391 -28.122 4.454 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.928 -28.475 6.084 1.00 0.00 H new ATOM 0 HG SER A 5 7.135 -26.225 5.559 1.00 0.00 H new ATOM 48 N SER A 6 10.409 -28.120 5.177 1.00 0.00 N ATOM 49 CA SER A 6 11.651 -27.988 5.930 1.00 0.00 C ATOM 50 C SER A 6 11.894 -26.535 6.328 1.00 0.00 C ATOM 51 O SER A 6 11.178 -25.633 5.895 1.00 0.00 O ATOM 52 CB SER A 6 12.830 -28.507 5.105 1.00 0.00 C ATOM 53 OG SER A 6 12.611 -29.843 4.687 1.00 0.00 O ATOM 0 H SER A 6 10.266 -27.399 4.470 1.00 0.00 H new ATOM 0 HA SER A 6 11.561 -28.585 6.838 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.977 -27.869 4.233 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.744 -28.453 5.697 1.00 0.00 H new ATOM 0 HG SER A 6 13.378 -30.151 4.160 1.00 0.00 H new ATOM 59 N GLY A 7 12.912 -26.316 7.155 1.00 0.00 N ATOM 60 CA GLY A 7 13.232 -24.972 7.598 1.00 0.00 C ATOM 61 C GLY A 7 14.429 -24.392 6.870 1.00 0.00 C ATOM 62 O GLY A 7 15.551 -24.433 7.376 1.00 0.00 O ATOM 0 H GLY A 7 13.521 -27.046 7.526 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.368 -24.326 7.443 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.433 -24.984 8.669 1.00 0.00 H new ATOM 66 N ARG A 8 14.191 -23.852 5.680 1.00 0.00 N ATOM 67 CA ARG A 8 15.259 -23.264 4.880 1.00 0.00 C ATOM 68 C ARG A 8 15.164 -21.741 4.882 1.00 0.00 C ATOM 69 O ARG A 8 14.609 -21.142 3.961 1.00 0.00 O ATOM 70 CB ARG A 8 15.197 -23.788 3.444 1.00 0.00 C ATOM 71 CG ARG A 8 16.474 -23.550 2.654 1.00 0.00 C ATOM 72 CD ARG A 8 16.393 -24.166 1.266 1.00 0.00 C ATOM 73 NE ARG A 8 16.684 -25.597 1.285 1.00 0.00 N ATOM 74 CZ ARG A 8 17.903 -26.097 1.460 1.00 0.00 C ATOM 75 NH1 ARG A 8 18.937 -25.286 1.630 1.00 0.00 N ATOM 76 NH2 ARG A 8 18.088 -27.411 1.465 1.00 0.00 N ATOM 0 H ARG A 8 13.268 -23.809 5.248 1.00 0.00 H new ATOM 0 HA ARG A 8 16.212 -23.552 5.324 1.00 0.00 H new ATOM 0 HB2 ARG A 8 14.987 -24.857 3.465 1.00 0.00 H new ATOM 0 HB3 ARG A 8 14.365 -23.310 2.927 1.00 0.00 H new ATOM 0 HG2 ARG A 8 16.656 -22.479 2.568 1.00 0.00 H new ATOM 0 HG3 ARG A 8 17.321 -23.975 3.193 1.00 0.00 H new ATOM 0 HD2 ARG A 8 15.397 -24.004 0.855 1.00 0.00 H new ATOM 0 HD3 ARG A 8 17.097 -23.662 0.604 1.00 0.00 H new ATOM 0 HE ARG A 8 15.910 -26.248 1.157 1.00 0.00 H new ATOM 0 HH11 ARG A 8 18.798 -24.275 1.627 1.00 0.00 H new ATOM 0 HH12 ARG A 8 19.871 -25.672 1.764 1.00 0.00 H new ATOM 0 HH21 ARG A 8 17.294 -28.038 1.334 1.00 0.00 H new ATOM 0 HH22 ARG A 8 19.024 -27.794 1.599 1.00 0.00 H new ATOM 90 N VAL A 9 15.709 -21.120 5.924 1.00 0.00 N ATOM 91 CA VAL A 9 15.686 -19.667 6.045 1.00 0.00 C ATOM 92 C VAL A 9 16.325 -19.004 4.831 1.00 0.00 C ATOM 93 O VAL A 9 17.531 -19.118 4.609 1.00 0.00 O ATOM 94 CB VAL A 9 16.419 -19.199 7.317 1.00 0.00 C ATOM 95 CG1 VAL A 9 16.198 -17.711 7.543 1.00 0.00 C ATOM 96 CG2 VAL A 9 15.958 -20.004 8.523 1.00 0.00 C ATOM 0 H VAL A 9 16.171 -21.600 6.696 1.00 0.00 H new ATOM 0 HA VAL A 9 14.639 -19.371 6.107 1.00 0.00 H new ATOM 0 HB VAL A 9 17.488 -19.367 7.183 1.00 0.00 H new ATOM 0 HG11 VAL A 9 16.723 -17.398 8.446 1.00 0.00 H new ATOM 0 HG12 VAL A 9 16.581 -17.152 6.689 1.00 0.00 H new ATOM 0 HG13 VAL A 9 15.132 -17.515 7.657 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.486 -19.661 9.413 1.00 0.00 H new ATOM 0 HG22 VAL A 9 14.885 -19.869 8.662 1.00 0.00 H new ATOM 0 HG23 VAL A 9 16.172 -21.060 8.359 1.00 0.00 H new ATOM 106 N LYS A 10 15.509 -18.309 4.045 1.00 0.00 N ATOM 107 CA LYS A 10 15.994 -17.625 2.853 1.00 0.00 C ATOM 108 C LYS A 10 16.361 -16.178 3.167 1.00 0.00 C ATOM 109 O LYS A 10 15.755 -15.549 4.034 1.00 0.00 O ATOM 110 CB LYS A 10 14.933 -17.665 1.750 1.00 0.00 C ATOM 111 CG LYS A 10 14.608 -19.069 1.270 1.00 0.00 C ATOM 112 CD LYS A 10 13.615 -19.048 0.120 1.00 0.00 C ATOM 113 CE LYS A 10 12.213 -18.706 0.600 1.00 0.00 C ATOM 114 NZ LYS A 10 11.970 -17.236 0.599 1.00 0.00 N ATOM 0 H LYS A 10 14.508 -18.205 4.213 1.00 0.00 H new ATOM 0 HA LYS A 10 16.889 -18.142 2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 10 14.021 -17.195 2.118 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.278 -17.071 0.904 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.524 -19.567 0.952 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.198 -19.651 2.095 1.00 0.00 H new ATOM 0 HD2 LYS A 10 13.934 -18.318 -0.624 1.00 0.00 H new ATOM 0 HD3 LYS A 10 13.605 -20.021 -0.371 1.00 0.00 H new ATOM 0 HE2 LYS A 10 11.480 -19.196 -0.041 1.00 0.00 H new ATOM 0 HE3 LYS A 10 12.068 -19.098 1.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 11.678 -16.932 1.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 12.844 -16.740 0.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 11.219 -17.009 -0.083 1.00 0.00 H new ATOM 128 N GLU A 11 17.356 -15.656 2.456 1.00 0.00 N ATOM 129 CA GLU A 11 17.802 -14.283 2.660 1.00 0.00 C ATOM 130 C GLU A 11 17.521 -13.431 1.426 1.00 0.00 C ATOM 131 O GLU A 11 18.236 -13.510 0.428 1.00 0.00 O ATOM 132 CB GLU A 11 19.297 -14.252 2.986 1.00 0.00 C ATOM 133 CG GLU A 11 19.628 -14.765 4.377 1.00 0.00 C ATOM 134 CD GLU A 11 19.694 -16.278 4.441 1.00 0.00 C ATOM 135 OE1 GLU A 11 20.677 -16.851 3.923 1.00 0.00 O ATOM 136 OE2 GLU A 11 18.765 -16.890 5.007 1.00 0.00 O ATOM 0 H GLU A 11 17.868 -16.163 1.734 1.00 0.00 H new ATOM 0 HA GLU A 11 17.246 -13.868 3.501 1.00 0.00 H new ATOM 0 HB2 GLU A 11 19.833 -14.851 2.250 1.00 0.00 H new ATOM 0 HB3 GLU A 11 19.660 -13.229 2.890 1.00 0.00 H new ATOM 0 HG2 GLU A 11 20.584 -14.350 4.695 1.00 0.00 H new ATOM 0 HG3 GLU A 11 18.876 -14.408 5.080 1.00 0.00 H new ATOM 143 N SER A 12 16.474 -12.616 1.503 1.00 0.00 N ATOM 144 CA SER A 12 16.095 -11.751 0.392 1.00 0.00 C ATOM 145 C SER A 12 16.478 -10.302 0.675 1.00 0.00 C ATOM 146 O SER A 12 16.052 -9.720 1.673 1.00 0.00 O ATOM 147 CB SER A 12 14.590 -11.851 0.130 1.00 0.00 C ATOM 148 OG SER A 12 14.230 -13.158 -0.280 1.00 0.00 O ATOM 0 H SER A 12 15.873 -12.537 2.323 1.00 0.00 H new ATOM 0 HA SER A 12 16.634 -12.084 -0.495 1.00 0.00 H new ATOM 0 HB2 SER A 12 14.042 -11.586 1.034 1.00 0.00 H new ATOM 0 HB3 SER A 12 14.303 -11.133 -0.639 1.00 0.00 H new ATOM 0 HG SER A 12 13.264 -13.196 -0.439 1.00 0.00 H new ATOM 154 N ILE A 13 17.285 -9.726 -0.210 1.00 0.00 N ATOM 155 CA ILE A 13 17.725 -8.345 -0.056 1.00 0.00 C ATOM 156 C ILE A 13 17.210 -7.474 -1.196 1.00 0.00 C ATOM 157 O ILE A 13 17.875 -7.314 -2.221 1.00 0.00 O ATOM 158 CB ILE A 13 19.261 -8.247 -0.003 1.00 0.00 C ATOM 159 CG1 ILE A 13 19.809 -9.096 1.146 1.00 0.00 C ATOM 160 CG2 ILE A 13 19.694 -6.796 0.149 1.00 0.00 C ATOM 161 CD1 ILE A 13 21.253 -9.506 0.959 1.00 0.00 C ATOM 0 H ILE A 13 17.647 -10.194 -1.041 1.00 0.00 H new ATOM 0 HA ILE A 13 17.313 -7.985 0.887 1.00 0.00 H new ATOM 0 HB ILE A 13 19.668 -8.631 -0.939 1.00 0.00 H new ATOM 0 HG12 ILE A 13 19.716 -8.536 2.077 1.00 0.00 H new ATOM 0 HG13 ILE A 13 19.196 -9.991 1.250 1.00 0.00 H new ATOM 0 HG21 ILE A 13 20.782 -6.743 0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 13 19.330 -6.217 -0.700 1.00 0.00 H new ATOM 0 HG23 ILE A 13 19.280 -6.387 1.071 1.00 0.00 H new ATOM 0 HD11 ILE A 13 21.574 -10.105 1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 13 21.349 -10.093 0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 13 21.877 -8.616 0.885 1.00 0.00 H new ATOM 173 N THR A 14 16.021 -6.909 -1.012 1.00 0.00 N ATOM 174 CA THR A 14 15.416 -6.053 -2.024 1.00 0.00 C ATOM 175 C THR A 14 15.361 -4.603 -1.556 1.00 0.00 C ATOM 176 O THR A 14 15.428 -4.324 -0.359 1.00 0.00 O ATOM 177 CB THR A 14 13.991 -6.521 -2.378 1.00 0.00 C ATOM 178 OG1 THR A 14 13.175 -6.536 -1.201 1.00 0.00 O ATOM 179 CG2 THR A 14 14.017 -7.908 -3.002 1.00 0.00 C ATOM 0 H THR A 14 15.458 -7.029 -0.170 1.00 0.00 H new ATOM 0 HA THR A 14 16.044 -6.122 -2.912 1.00 0.00 H new ATOM 0 HB THR A 14 13.571 -5.823 -3.102 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.270 -6.833 -1.434 1.00 0.00 H new ATOM 0 HG21 THR A 14 13.000 -8.217 -3.244 1.00 0.00 H new ATOM 0 HG22 THR A 14 14.616 -7.886 -3.913 1.00 0.00 H new ATOM 0 HG23 THR A 14 14.454 -8.616 -2.298 1.00 0.00 H new ATOM 187 N ARG A 15 15.236 -3.683 -2.507 1.00 0.00 N ATOM 188 CA ARG A 15 15.172 -2.261 -2.192 1.00 0.00 C ATOM 189 C ARG A 15 13.852 -1.659 -2.663 1.00 0.00 C ATOM 190 O ARG A 15 13.130 -1.033 -1.886 1.00 0.00 O ATOM 191 CB ARG A 15 16.344 -1.520 -2.839 1.00 0.00 C ATOM 192 CG ARG A 15 16.716 -0.230 -2.128 1.00 0.00 C ATOM 193 CD ARG A 15 17.979 0.384 -2.712 1.00 0.00 C ATOM 194 NE ARG A 15 18.704 1.183 -1.728 1.00 0.00 N ATOM 195 CZ ARG A 15 19.688 2.019 -2.042 1.00 0.00 C ATOM 196 NH1 ARG A 15 20.060 2.166 -3.306 1.00 0.00 N ATOM 197 NH2 ARG A 15 20.300 2.712 -1.090 1.00 0.00 N ATOM 0 H ARG A 15 15.177 -3.897 -3.502 1.00 0.00 H new ATOM 0 HA ARG A 15 15.235 -2.151 -1.109 1.00 0.00 H new ATOM 0 HB2 ARG A 15 17.213 -2.178 -2.858 1.00 0.00 H new ATOM 0 HB3 ARG A 15 16.092 -1.294 -3.875 1.00 0.00 H new ATOM 0 HG2 ARG A 15 15.894 0.481 -2.208 1.00 0.00 H new ATOM 0 HG3 ARG A 15 16.864 -0.428 -1.066 1.00 0.00 H new ATOM 0 HD2 ARG A 15 18.628 -0.408 -3.085 1.00 0.00 H new ATOM 0 HD3 ARG A 15 17.717 1.010 -3.565 1.00 0.00 H new ATOM 0 HE ARG A 15 18.441 1.095 -0.746 1.00 0.00 H new ATOM 0 HH11 ARG A 15 19.591 1.637 -4.041 1.00 0.00 H new ATOM 0 HH12 ARG A 15 20.816 2.809 -3.544 1.00 0.00 H new ATOM 0 HH21 ARG A 15 20.015 2.603 -0.117 1.00 0.00 H new ATOM 0 HH22 ARG A 15 21.055 3.354 -1.332 1.00 0.00 H new ATOM 211 N THR A 16 13.543 -1.851 -3.942 1.00 0.00 N ATOM 212 CA THR A 16 12.311 -1.325 -4.518 1.00 0.00 C ATOM 213 C THR A 16 11.287 -2.434 -4.729 1.00 0.00 C ATOM 214 O THR A 16 11.645 -3.584 -4.984 1.00 0.00 O ATOM 215 CB THR A 16 12.575 -0.622 -5.862 1.00 0.00 C ATOM 216 OG1 THR A 16 11.372 -0.011 -6.340 1.00 0.00 O ATOM 217 CG2 THR A 16 13.094 -1.609 -6.897 1.00 0.00 C ATOM 0 H THR A 16 14.129 -2.367 -4.599 1.00 0.00 H new ATOM 0 HA THR A 16 11.915 -0.598 -3.809 1.00 0.00 H new ATOM 0 HB THR A 16 13.333 0.145 -5.702 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.549 0.435 -7.194 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.273 -1.089 -7.838 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.026 -2.051 -6.543 1.00 0.00 H new ATOM 0 HG23 THR A 16 12.356 -2.396 -7.052 1.00 0.00 H new ATOM 225 N SER A 17 10.010 -2.081 -4.623 1.00 0.00 N ATOM 226 CA SER A 17 8.932 -3.048 -4.800 1.00 0.00 C ATOM 227 C SER A 17 8.228 -2.837 -6.137 1.00 0.00 C ATOM 228 O SER A 17 7.206 -2.154 -6.212 1.00 0.00 O ATOM 229 CB SER A 17 7.923 -2.934 -3.656 1.00 0.00 C ATOM 230 OG SER A 17 7.299 -1.662 -3.651 1.00 0.00 O ATOM 0 H SER A 17 9.696 -1.133 -4.416 1.00 0.00 H new ATOM 0 HA SER A 17 9.368 -4.047 -4.792 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.167 -3.713 -3.755 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.428 -3.099 -2.704 1.00 0.00 H new ATOM 0 HG SER A 17 7.073 -1.405 -4.569 1.00 0.00 H new ATOM 236 N ARG A 18 8.782 -3.429 -7.190 1.00 0.00 N ATOM 237 CA ARG A 18 8.209 -3.306 -8.525 1.00 0.00 C ATOM 238 C ARG A 18 7.537 -4.608 -8.951 1.00 0.00 C ATOM 239 O ARG A 18 7.917 -5.689 -8.502 1.00 0.00 O ATOM 240 CB ARG A 18 9.292 -2.924 -9.536 1.00 0.00 C ATOM 241 CG ARG A 18 8.758 -2.680 -10.938 1.00 0.00 C ATOM 242 CD ARG A 18 8.027 -1.350 -11.031 1.00 0.00 C ATOM 243 NE ARG A 18 8.950 -0.220 -11.086 1.00 0.00 N ATOM 244 CZ ARG A 18 8.632 0.964 -11.598 1.00 0.00 C ATOM 245 NH1 ARG A 18 7.421 1.172 -12.095 1.00 0.00 N ATOM 246 NH2 ARG A 18 9.527 1.944 -11.613 1.00 0.00 N ATOM 0 H ARG A 18 9.627 -3.999 -7.144 1.00 0.00 H new ATOM 0 HA ARG A 18 7.454 -2.520 -8.497 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.800 -2.025 -9.188 1.00 0.00 H new ATOM 0 HB3 ARG A 18 10.038 -3.718 -9.574 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.583 -2.694 -11.650 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.082 -3.488 -11.217 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.395 -1.345 -11.919 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.368 -1.238 -10.170 1.00 0.00 H new ATOM 0 HE ARG A 18 9.890 -0.346 -10.711 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.730 0.422 -12.085 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.180 2.082 -12.487 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.460 1.788 -11.231 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.282 2.853 -12.006 1.00 0.00 H new ATOM 260 N ALA A 19 6.537 -4.496 -9.818 1.00 0.00 N ATOM 261 CA ALA A 19 5.814 -5.664 -10.305 1.00 0.00 C ATOM 262 C ALA A 19 4.812 -5.278 -11.388 1.00 0.00 C ATOM 263 O ALA A 19 4.325 -4.148 -11.442 1.00 0.00 O ATOM 264 CB ALA A 19 5.106 -6.365 -9.155 1.00 0.00 C ATOM 0 H ALA A 19 6.209 -3.608 -10.198 1.00 0.00 H new ATOM 0 HA ALA A 19 6.538 -6.350 -10.744 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.570 -7.235 -9.534 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.841 -6.685 -8.416 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.399 -5.678 -8.690 1.00 0.00 H new ATOM 270 N PRO A 20 4.496 -6.236 -12.272 1.00 0.00 N ATOM 271 CA PRO A 20 3.549 -6.018 -13.370 1.00 0.00 C ATOM 272 C PRO A 20 2.115 -5.864 -12.877 1.00 0.00 C ATOM 273 O PRO A 20 1.197 -5.645 -13.667 1.00 0.00 O ATOM 274 CB PRO A 20 3.690 -7.286 -14.216 1.00 0.00 C ATOM 275 CG PRO A 20 4.173 -8.325 -13.264 1.00 0.00 C ATOM 276 CD PRO A 20 5.038 -7.605 -12.268 1.00 0.00 C ATOM 0 HA PRO A 20 3.762 -5.099 -13.915 1.00 0.00 H new ATOM 0 HB2 PRO A 20 2.738 -7.571 -14.664 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.396 -7.140 -15.034 1.00 0.00 H new ATOM 0 HG2 PRO A 20 3.337 -8.819 -12.769 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.738 -9.098 -13.784 1.00 0.00 H new ATOM 0 HD2 PRO A 20 4.975 -8.059 -11.279 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.088 -7.622 -12.561 1.00 0.00 H new ATOM 284 N SER A 21 1.929 -5.980 -11.566 1.00 0.00 N ATOM 285 CA SER A 21 0.605 -5.857 -10.967 1.00 0.00 C ATOM 286 C SER A 21 0.078 -4.432 -11.103 1.00 0.00 C ATOM 287 O SER A 21 0.575 -3.510 -10.457 1.00 0.00 O ATOM 288 CB SER A 21 0.650 -6.258 -9.491 1.00 0.00 C ATOM 289 OG SER A 21 0.443 -7.651 -9.335 1.00 0.00 O ATOM 0 H SER A 21 2.679 -6.159 -10.898 1.00 0.00 H new ATOM 0 HA SER A 21 -0.071 -6.528 -11.498 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.614 -5.980 -9.065 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.113 -5.710 -8.938 1.00 0.00 H new ATOM 0 HG SER A 21 0.478 -7.882 -8.383 1.00 0.00 H new ATOM 295 N VAL A 22 -0.933 -4.260 -11.949 1.00 0.00 N ATOM 296 CA VAL A 22 -1.530 -2.948 -12.170 1.00 0.00 C ATOM 297 C VAL A 22 -2.730 -2.729 -11.256 1.00 0.00 C ATOM 298 O VAL A 22 -3.145 -3.633 -10.532 1.00 0.00 O ATOM 299 CB VAL A 22 -1.974 -2.773 -13.634 1.00 0.00 C ATOM 300 CG1 VAL A 22 -0.773 -2.823 -14.567 1.00 0.00 C ATOM 301 CG2 VAL A 22 -2.996 -3.835 -14.011 1.00 0.00 C ATOM 0 H VAL A 22 -1.356 -5.013 -12.492 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.763 -2.208 -11.940 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.444 -1.795 -13.738 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.107 -2.698 -15.597 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.079 -2.022 -14.310 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.271 -3.785 -14.463 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.299 -3.696 -15.049 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.554 -4.824 -13.891 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.868 -3.746 -13.364 1.00 0.00 H new ATOM 311 N ALA A 23 -3.285 -1.522 -11.296 1.00 0.00 N ATOM 312 CA ALA A 23 -4.440 -1.184 -10.473 1.00 0.00 C ATOM 313 C ALA A 23 -5.542 -0.544 -11.311 1.00 0.00 C ATOM 314 O ALA A 23 -5.310 0.440 -12.014 1.00 0.00 O ATOM 315 CB ALA A 23 -4.028 -0.255 -9.341 1.00 0.00 C ATOM 0 H ALA A 23 -2.953 -0.762 -11.890 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.833 -2.106 -10.046 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.900 -0.011 -8.735 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.281 -0.748 -8.719 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.607 0.661 -9.757 1.00 0.00 H new ATOM 321 N THR A 24 -6.742 -1.110 -11.231 1.00 0.00 N ATOM 322 CA THR A 24 -7.880 -0.596 -11.983 1.00 0.00 C ATOM 323 C THR A 24 -8.831 0.180 -11.079 1.00 0.00 C ATOM 324 O THR A 24 -8.566 0.360 -9.891 1.00 0.00 O ATOM 325 CB THR A 24 -8.658 -1.733 -12.672 1.00 0.00 C ATOM 326 OG1 THR A 24 -9.694 -1.188 -13.497 1.00 0.00 O ATOM 327 CG2 THR A 24 -9.265 -2.674 -11.643 1.00 0.00 C ATOM 0 H THR A 24 -6.951 -1.924 -10.653 1.00 0.00 H new ATOM 0 HA THR A 24 -7.479 0.073 -12.744 1.00 0.00 H new ATOM 0 HB THR A 24 -7.961 -2.298 -13.291 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.327 -0.467 -14.050 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.809 -3.469 -12.153 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.472 -3.110 -11.036 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.950 -2.119 -11.002 1.00 0.00 H new ATOM 335 N VAL A 25 -9.941 0.638 -11.650 1.00 0.00 N ATOM 336 CA VAL A 25 -10.934 1.393 -10.894 1.00 0.00 C ATOM 337 C VAL A 25 -12.305 0.733 -10.975 1.00 0.00 C ATOM 338 O VAL A 25 -12.588 -0.025 -11.902 1.00 0.00 O ATOM 339 CB VAL A 25 -11.043 2.843 -11.404 1.00 0.00 C ATOM 340 CG1 VAL A 25 -11.379 2.863 -12.888 1.00 0.00 C ATOM 341 CG2 VAL A 25 -12.082 3.612 -10.603 1.00 0.00 C ATOM 0 H VAL A 25 -10.175 0.499 -12.633 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.601 1.404 -9.856 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.078 3.332 -11.268 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.452 3.895 -13.231 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.595 2.350 -13.445 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.331 2.358 -13.052 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.146 4.634 -10.976 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -13.053 3.127 -10.705 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.793 3.627 -9.552 1.00 0.00 H new ATOM 351 N GLY A 26 -13.156 1.027 -9.997 1.00 0.00 N ATOM 352 CA GLY A 26 -14.489 0.453 -9.976 1.00 0.00 C ATOM 353 C GLY A 26 -14.471 -1.060 -10.058 1.00 0.00 C ATOM 354 O GLY A 26 -15.216 -1.655 -10.836 1.00 0.00 O ATOM 0 H GLY A 26 -12.946 1.652 -9.219 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.998 0.758 -9.062 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.066 0.852 -10.810 1.00 0.00 H new ATOM 358 N SER A 27 -13.616 -1.685 -9.255 1.00 0.00 N ATOM 359 CA SER A 27 -13.499 -3.138 -9.244 1.00 0.00 C ATOM 360 C SER A 27 -12.658 -3.607 -8.061 1.00 0.00 C ATOM 361 O SER A 27 -11.838 -2.856 -7.532 1.00 0.00 O ATOM 362 CB SER A 27 -12.878 -3.631 -10.553 1.00 0.00 C ATOM 363 OG SER A 27 -13.321 -4.940 -10.866 1.00 0.00 O ATOM 0 H SER A 27 -12.994 -1.207 -8.603 1.00 0.00 H new ATOM 0 HA SER A 27 -14.500 -3.557 -9.144 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.142 -2.951 -11.363 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.791 -3.622 -10.470 1.00 0.00 H new ATOM 0 HG SER A 27 -12.912 -5.231 -11.707 1.00 0.00 H new ATOM 369 N ILE A 28 -12.869 -4.853 -7.650 1.00 0.00 N ATOM 370 CA ILE A 28 -12.130 -5.423 -6.531 1.00 0.00 C ATOM 371 C ILE A 28 -10.674 -5.678 -6.905 1.00 0.00 C ATOM 372 O ILE A 28 -10.369 -6.598 -7.666 1.00 0.00 O ATOM 373 CB ILE A 28 -12.763 -6.743 -6.052 1.00 0.00 C ATOM 374 CG1 ILE A 28 -14.084 -6.468 -5.331 1.00 0.00 C ATOM 375 CG2 ILE A 28 -11.802 -7.491 -5.140 1.00 0.00 C ATOM 376 CD1 ILE A 28 -14.927 -7.706 -5.121 1.00 0.00 C ATOM 0 H ILE A 28 -13.546 -5.487 -8.075 1.00 0.00 H new ATOM 0 HA ILE A 28 -12.172 -4.694 -5.722 1.00 0.00 H new ATOM 0 HB ILE A 28 -12.968 -7.367 -6.922 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -13.872 -6.014 -4.363 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -14.658 -5.741 -5.906 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -12.264 -8.422 -4.810 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -10.884 -7.714 -5.684 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -11.569 -6.874 -4.272 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -15.848 -7.436 -4.604 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -15.169 -8.149 -6.087 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -14.372 -8.426 -4.520 1.00 0.00 H new ATOM 388 N CYS A 29 -9.778 -4.858 -6.366 1.00 0.00 N ATOM 389 CA CYS A 29 -8.352 -4.995 -6.643 1.00 0.00 C ATOM 390 C CYS A 29 -7.661 -5.804 -5.550 1.00 0.00 C ATOM 391 O CYS A 29 -7.524 -5.344 -4.416 1.00 0.00 O ATOM 392 CB CYS A 29 -7.700 -3.617 -6.764 1.00 0.00 C ATOM 393 SG CYS A 29 -5.916 -3.667 -7.049 1.00 0.00 S ATOM 0 H CYS A 29 -10.013 -4.092 -5.735 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.240 -5.526 -7.588 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -8.173 -3.074 -7.582 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -7.896 -3.053 -5.852 1.00 0.00 H new ATOM 0 HG CYS A 29 -5.457 -2.454 -7.139 1.00 0.00 H new ATOM 399 N ASP A 30 -7.230 -7.011 -5.898 1.00 0.00 N ATOM 400 CA ASP A 30 -6.553 -7.885 -4.947 1.00 0.00 C ATOM 401 C ASP A 30 -5.111 -7.439 -4.729 1.00 0.00 C ATOM 402 O ASP A 30 -4.307 -7.422 -5.662 1.00 0.00 O ATOM 403 CB ASP A 30 -6.583 -9.333 -5.441 1.00 0.00 C ATOM 404 CG ASP A 30 -7.994 -9.870 -5.574 1.00 0.00 C ATOM 405 OD1 ASP A 30 -8.676 -10.012 -4.537 1.00 0.00 O ATOM 406 OD2 ASP A 30 -8.417 -10.149 -6.715 1.00 0.00 O ATOM 0 H ASP A 30 -7.337 -7.407 -6.832 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.081 -7.823 -3.995 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.081 -9.395 -6.407 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.022 -9.961 -4.749 1.00 0.00 H new ATOM 411 N LEU A 31 -4.791 -7.076 -3.492 1.00 0.00 N ATOM 412 CA LEU A 31 -3.445 -6.627 -3.150 1.00 0.00 C ATOM 413 C LEU A 31 -2.699 -7.696 -2.358 1.00 0.00 C ATOM 414 O LEU A 31 -2.934 -7.875 -1.164 1.00 0.00 O ATOM 415 CB LEU A 31 -3.508 -5.329 -2.343 1.00 0.00 C ATOM 416 CG LEU A 31 -2.173 -4.623 -2.103 1.00 0.00 C ATOM 417 CD1 LEU A 31 -1.671 -3.980 -3.386 1.00 0.00 C ATOM 418 CD2 LEU A 31 -2.312 -3.582 -1.002 1.00 0.00 C ATOM 0 H LEU A 31 -5.445 -7.084 -2.709 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.903 -6.444 -4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.175 -4.637 -2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.960 -5.548 -1.375 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.443 -5.366 -1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.720 -3.482 -3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.533 -4.747 -4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.400 -3.249 -3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.353 -3.089 -0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.057 -2.841 -1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.626 -4.069 -0.079 1.00 0.00 H new ATOM 430 N ASN A 32 -1.798 -8.403 -3.032 1.00 0.00 N ATOM 431 CA ASN A 32 -1.016 -9.454 -2.390 1.00 0.00 C ATOM 432 C ASN A 32 0.262 -8.885 -1.779 1.00 0.00 C ATOM 433 O ASN A 32 0.999 -8.145 -2.431 1.00 0.00 O ATOM 434 CB ASN A 32 -0.667 -10.549 -3.401 1.00 0.00 C ATOM 435 CG ASN A 32 -0.174 -9.983 -4.718 1.00 0.00 C ATOM 436 OD1 ASN A 32 1.024 -9.769 -4.905 1.00 0.00 O ATOM 437 ND2 ASN A 32 -1.098 -9.738 -5.640 1.00 0.00 N ATOM 0 H ASN A 32 -1.591 -8.268 -4.022 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.620 -9.885 -1.591 1.00 0.00 H new ATOM 0 HB2 ASN A 32 0.099 -11.199 -2.978 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.546 -11.168 -3.581 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.826 -9.357 -6.546 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -2.080 -9.931 -5.442 1.00 0.00 H new ATOM 444 N LEU A 33 0.518 -9.237 -0.524 1.00 0.00 N ATOM 445 CA LEU A 33 1.706 -8.763 0.176 1.00 0.00 C ATOM 446 C LEU A 33 2.407 -9.909 0.898 1.00 0.00 C ATOM 447 O LEU A 33 1.768 -10.870 1.327 1.00 0.00 O ATOM 448 CB LEU A 33 1.330 -7.669 1.177 1.00 0.00 C ATOM 449 CG LEU A 33 0.892 -6.332 0.578 1.00 0.00 C ATOM 450 CD1 LEU A 33 -0.057 -5.610 1.521 1.00 0.00 C ATOM 451 CD2 LEU A 33 2.103 -5.464 0.269 1.00 0.00 C ATOM 0 H LEU A 33 -0.081 -9.849 0.030 1.00 0.00 H new ATOM 0 HA LEU A 33 2.392 -8.350 -0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.524 -8.043 1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.186 -7.490 1.827 1.00 0.00 H new ATOM 0 HG LEU A 33 0.364 -6.529 -0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.358 -4.661 1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.939 -6.227 1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.445 -5.424 2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.772 -4.517 -0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.659 -5.275 1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.746 -5.978 -0.445 1.00 0.00 H new ATOM 463 N LYS A 34 3.725 -9.801 1.030 1.00 0.00 N ATOM 464 CA LYS A 34 4.514 -10.826 1.703 1.00 0.00 C ATOM 465 C LYS A 34 4.664 -10.510 3.187 1.00 0.00 C ATOM 466 O LYS A 34 5.450 -9.642 3.570 1.00 0.00 O ATOM 467 CB LYS A 34 5.894 -10.945 1.053 1.00 0.00 C ATOM 468 CG LYS A 34 5.864 -10.842 -0.462 1.00 0.00 C ATOM 469 CD LYS A 34 5.676 -12.203 -1.110 1.00 0.00 C ATOM 470 CE LYS A 34 4.203 -12.532 -1.299 1.00 0.00 C ATOM 471 NZ LYS A 34 3.950 -13.998 -1.240 1.00 0.00 N ATOM 0 H LYS A 34 4.270 -9.013 0.679 1.00 0.00 H new ATOM 0 HA LYS A 34 3.990 -11.776 1.604 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.542 -10.163 1.449 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.338 -11.900 1.335 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.055 -10.178 -0.766 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.793 -10.395 -0.816 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.180 -12.220 -2.076 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.145 -12.969 -0.492 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.617 -12.031 -0.528 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.864 -12.143 -2.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.935 -14.181 -1.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.489 -14.474 -1.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.249 -14.365 -0.314 1.00 0.00 H new ATOM 485 N ILE A 35 3.909 -11.220 4.018 1.00 0.00 N ATOM 486 CA ILE A 35 3.961 -11.016 5.460 1.00 0.00 C ATOM 487 C ILE A 35 4.279 -12.317 6.189 1.00 0.00 C ATOM 488 O ILE A 35 3.767 -13.386 5.854 1.00 0.00 O ATOM 489 CB ILE A 35 2.632 -10.452 5.998 1.00 0.00 C ATOM 490 CG1 ILE A 35 2.319 -9.108 5.337 1.00 0.00 C ATOM 491 CG2 ILE A 35 2.693 -10.303 7.511 1.00 0.00 C ATOM 492 CD1 ILE A 35 1.014 -8.498 5.797 1.00 0.00 C ATOM 0 H ILE A 35 3.254 -11.942 3.717 1.00 0.00 H new ATOM 0 HA ILE A 35 4.756 -10.294 5.647 1.00 0.00 H new ATOM 0 HB ILE A 35 1.832 -11.151 5.754 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.130 -8.411 5.547 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.287 -9.243 4.256 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.747 -9.903 7.876 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.875 -11.277 7.965 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.501 -9.622 7.777 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.857 -7.547 5.287 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.193 -9.175 5.562 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.050 -8.331 6.874 1.00 0.00 H new ATOM 504 N PRO A 36 5.144 -12.227 7.210 1.00 0.00 N ATOM 505 CA PRO A 36 5.548 -13.388 8.009 1.00 0.00 C ATOM 506 C PRO A 36 4.416 -13.912 8.886 1.00 0.00 C ATOM 507 O PRO A 36 3.256 -13.546 8.699 1.00 0.00 O ATOM 508 CB PRO A 36 6.687 -12.843 8.875 1.00 0.00 C ATOM 509 CG PRO A 36 6.422 -11.380 8.972 1.00 0.00 C ATOM 510 CD PRO A 36 5.793 -10.986 7.664 1.00 0.00 C ATOM 0 HA PRO A 36 5.836 -14.233 7.383 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.694 -13.310 9.860 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.658 -13.040 8.422 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.758 -11.158 9.807 1.00 0.00 H new ATOM 0 HG3 PRO A 36 7.345 -10.827 9.144 1.00 0.00 H new ATOM 0 HD2 PRO A 36 5.072 -10.179 7.792 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.538 -10.637 6.949 1.00 0.00 H new ATOM 518 N GLU A 37 4.761 -14.769 9.841 1.00 0.00 N ATOM 519 CA GLU A 37 3.771 -15.342 10.746 1.00 0.00 C ATOM 520 C GLU A 37 2.781 -14.279 11.213 1.00 0.00 C ATOM 521 O GLU A 37 1.654 -14.593 11.599 1.00 0.00 O ATOM 522 CB GLU A 37 4.461 -15.978 11.955 1.00 0.00 C ATOM 523 CG GLU A 37 5.281 -17.210 11.609 1.00 0.00 C ATOM 524 CD GLU A 37 6.289 -17.560 12.686 1.00 0.00 C ATOM 525 OE1 GLU A 37 5.908 -18.254 13.652 1.00 0.00 O ATOM 526 OE2 GLU A 37 7.459 -17.141 12.563 1.00 0.00 O ATOM 0 H GLU A 37 5.717 -15.082 10.008 1.00 0.00 H new ATOM 0 HA GLU A 37 3.222 -16.111 10.203 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.111 -15.238 12.422 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.706 -16.250 12.692 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.611 -18.056 11.454 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.804 -17.041 10.668 1.00 0.00 H new ATOM 533 N ILE A 38 3.209 -13.022 11.175 1.00 0.00 N ATOM 534 CA ILE A 38 2.360 -11.913 11.593 1.00 0.00 C ATOM 535 C ILE A 38 0.901 -12.171 11.232 1.00 0.00 C ATOM 536 O ILE A 38 0.597 -12.653 10.142 1.00 0.00 O ATOM 537 CB ILE A 38 2.809 -10.587 10.952 1.00 0.00 C ATOM 538 CG1 ILE A 38 4.109 -10.099 11.594 1.00 0.00 C ATOM 539 CG2 ILE A 38 1.718 -9.537 11.087 1.00 0.00 C ATOM 540 CD1 ILE A 38 4.751 -8.944 10.858 1.00 0.00 C ATOM 0 H ILE A 38 4.139 -12.746 10.859 1.00 0.00 H new ATOM 0 HA ILE A 38 2.455 -11.834 12.676 1.00 0.00 H new ATOM 0 HB ILE A 38 2.992 -10.757 9.891 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.906 -9.797 12.621 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.816 -10.928 11.639 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.051 -8.606 10.629 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.814 -9.885 10.587 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.506 -9.367 12.142 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.668 -8.651 11.370 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.986 -9.248 9.838 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.062 -8.099 10.835 1.00 0.00 H new ATOM 552 N ASN A 39 0.003 -11.846 12.156 1.00 0.00 N ATOM 553 CA ASN A 39 -1.426 -12.041 11.935 1.00 0.00 C ATOM 554 C ASN A 39 -2.076 -10.761 11.419 1.00 0.00 C ATOM 555 O ASN A 39 -1.448 -9.703 11.387 1.00 0.00 O ATOM 556 CB ASN A 39 -2.107 -12.486 13.230 1.00 0.00 C ATOM 557 CG ASN A 39 -1.570 -13.809 13.741 1.00 0.00 C ATOM 558 OD1 ASN A 39 -2.023 -14.877 13.328 1.00 0.00 O ATOM 559 ND2 ASN A 39 -0.598 -13.744 14.644 1.00 0.00 N ATOM 0 H ASN A 39 0.239 -11.447 13.064 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.549 -12.819 11.182 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.966 -11.721 13.993 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.180 -12.574 13.061 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.196 -14.601 15.024 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.253 -12.837 14.958 1.00 0.00 H new ATOM 566 N SER A 40 -3.338 -10.866 11.016 1.00 0.00 N ATOM 567 CA SER A 40 -4.074 -9.718 10.498 1.00 0.00 C ATOM 568 C SER A 40 -4.904 -9.064 11.598 1.00 0.00 C ATOM 569 O SER A 40 -5.102 -7.849 11.603 1.00 0.00 O ATOM 570 CB SER A 40 -4.982 -10.145 9.344 1.00 0.00 C ATOM 571 OG SER A 40 -6.125 -10.833 9.822 1.00 0.00 O ATOM 0 H SER A 40 -3.873 -11.734 11.038 1.00 0.00 H new ATOM 0 HA SER A 40 -3.351 -8.990 10.131 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.293 -9.267 8.778 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.428 -10.787 8.659 1.00 0.00 H new ATOM 0 HG SER A 40 -6.690 -11.094 9.065 1.00 0.00 H new ATOM 577 N SER A 41 -5.388 -9.879 12.530 1.00 0.00 N ATOM 578 CA SER A 41 -6.200 -9.382 13.634 1.00 0.00 C ATOM 579 C SER A 41 -5.445 -8.321 14.429 1.00 0.00 C ATOM 580 O SER A 41 -6.035 -7.587 15.223 1.00 0.00 O ATOM 581 CB SER A 41 -6.605 -10.533 14.556 1.00 0.00 C ATOM 582 OG SER A 41 -7.779 -10.215 15.284 1.00 0.00 O ATOM 0 H SER A 41 -5.232 -10.887 12.542 1.00 0.00 H new ATOM 0 HA SER A 41 -7.098 -8.928 13.216 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.772 -11.434 13.966 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.792 -10.752 15.248 1.00 0.00 H new ATOM 0 HG SER A 41 -8.018 -10.967 15.865 1.00 0.00 H new ATOM 588 N ASP A 42 -4.137 -8.245 14.210 1.00 0.00 N ATOM 589 CA ASP A 42 -3.300 -7.274 14.904 1.00 0.00 C ATOM 590 C ASP A 42 -2.825 -6.184 13.948 1.00 0.00 C ATOM 591 O ASP A 42 -2.311 -5.151 14.375 1.00 0.00 O ATOM 592 CB ASP A 42 -2.097 -7.969 15.543 1.00 0.00 C ATOM 593 CG ASP A 42 -2.494 -9.197 16.340 1.00 0.00 C ATOM 594 OD1 ASP A 42 -3.290 -9.054 17.292 1.00 0.00 O ATOM 595 OD2 ASP A 42 -2.011 -10.299 16.010 1.00 0.00 O ATOM 0 H ASP A 42 -3.633 -8.845 13.557 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.899 -6.810 15.687 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.392 -8.258 14.764 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.580 -7.266 16.197 1.00 0.00 H new ATOM 600 N MET A 43 -2.999 -6.424 12.652 1.00 0.00 N ATOM 601 CA MET A 43 -2.588 -5.463 11.635 1.00 0.00 C ATOM 602 C MET A 43 -3.763 -4.592 11.204 1.00 0.00 C ATOM 603 O MET A 43 -4.902 -4.825 11.608 1.00 0.00 O ATOM 604 CB MET A 43 -2.004 -6.190 10.422 1.00 0.00 C ATOM 605 CG MET A 43 -0.535 -6.548 10.577 1.00 0.00 C ATOM 606 SD MET A 43 0.324 -6.657 8.996 1.00 0.00 S ATOM 607 CE MET A 43 -0.553 -8.016 8.227 1.00 0.00 C ATOM 0 H MET A 43 -3.422 -7.275 12.282 1.00 0.00 H new ATOM 0 HA MET A 43 -1.821 -4.820 12.067 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.575 -7.102 10.246 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.125 -5.562 9.539 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.046 -5.799 11.201 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.451 -7.501 11.098 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.112 -8.875 8.138 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.414 -8.286 8.838 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.892 -7.716 7.235 1.00 0.00 H new ATOM 617 N SER A 44 -3.478 -3.587 10.381 1.00 0.00 N ATOM 618 CA SER A 44 -4.511 -2.679 9.898 1.00 0.00 C ATOM 619 C SER A 44 -4.257 -2.290 8.445 1.00 0.00 C ATOM 620 O SER A 44 -3.115 -2.273 7.986 1.00 0.00 O ATOM 621 CB SER A 44 -4.566 -1.424 10.772 1.00 0.00 C ATOM 622 OG SER A 44 -5.791 -0.734 10.597 1.00 0.00 O ATOM 0 H SER A 44 -2.541 -3.382 10.035 1.00 0.00 H new ATOM 0 HA SER A 44 -5.469 -3.195 9.955 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.448 -1.701 11.820 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.735 -0.765 10.521 1.00 0.00 H new ATOM 0 HG SER A 44 -6.026 -0.269 11.427 1.00 0.00 H new ATOM 628 N ALA A 45 -5.330 -1.978 7.726 1.00 0.00 N ATOM 629 CA ALA A 45 -5.224 -1.587 6.325 1.00 0.00 C ATOM 630 C ALA A 45 -6.235 -0.499 5.981 1.00 0.00 C ATOM 631 O ALA A 45 -7.445 -0.704 6.093 1.00 0.00 O ATOM 632 CB ALA A 45 -5.419 -2.797 5.424 1.00 0.00 C ATOM 0 H ALA A 45 -6.283 -1.988 8.090 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.225 -1.183 6.160 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.337 -2.491 4.381 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.654 -3.542 5.644 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.405 -3.227 5.600 1.00 0.00 H new ATOM 638 N HIS A 46 -5.734 0.658 5.562 1.00 0.00 N ATOM 639 CA HIS A 46 -6.594 1.779 5.201 1.00 0.00 C ATOM 640 C HIS A 46 -6.166 2.387 3.869 1.00 0.00 C ATOM 641 O HIS A 46 -4.982 2.396 3.532 1.00 0.00 O ATOM 642 CB HIS A 46 -6.563 2.847 6.295 1.00 0.00 C ATOM 643 CG HIS A 46 -7.243 2.426 7.562 1.00 0.00 C ATOM 644 ND1 HIS A 46 -8.530 2.559 7.962 1.00 0.00 N flip ATOM 645 CD2 HIS A 46 -6.587 1.787 8.593 1.00 0.00 C flip ATOM 646 CE1 HIS A 46 -8.626 2.002 9.213 1.00 0.00 C flip ATOM 647 NE2 HIS A 46 -7.440 1.543 9.571 1.00 0.00 N flip ATOM 0 H HIS A 46 -4.736 0.844 5.464 1.00 0.00 H new ATOM 0 HA HIS A 46 -7.612 1.404 5.098 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.526 3.100 6.516 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.039 3.753 5.920 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.539 1.527 8.600 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.526 1.948 9.808 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -7.221 1.079 10.453 1.00 0.00 H new ATOM 655 N VAL A 47 -7.137 2.892 3.115 1.00 0.00 N ATOM 656 CA VAL A 47 -6.860 3.502 1.820 1.00 0.00 C ATOM 657 C VAL A 47 -7.128 5.003 1.850 1.00 0.00 C ATOM 658 O VAL A 47 -8.272 5.443 1.730 1.00 0.00 O ATOM 659 CB VAL A 47 -7.709 2.862 0.705 1.00 0.00 C ATOM 660 CG1 VAL A 47 -7.503 3.596 -0.611 1.00 0.00 C ATOM 661 CG2 VAL A 47 -7.372 1.386 0.561 1.00 0.00 C ATOM 0 H VAL A 47 -8.122 2.891 3.379 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.805 3.329 1.608 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.761 2.946 0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.111 3.130 -1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.799 4.639 -0.496 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.452 3.546 -0.895 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.981 0.949 -0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.317 1.276 0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.576 0.873 1.501 1.00 0.00 H new ATOM 671 N THR A 48 -6.066 5.785 2.011 1.00 0.00 N ATOM 672 CA THR A 48 -6.186 7.237 2.058 1.00 0.00 C ATOM 673 C THR A 48 -6.511 7.806 0.682 1.00 0.00 C ATOM 674 O THR A 48 -6.094 7.261 -0.340 1.00 0.00 O ATOM 675 CB THR A 48 -4.892 7.891 2.579 1.00 0.00 C ATOM 676 OG1 THR A 48 -4.371 7.137 3.679 1.00 0.00 O ATOM 677 CG2 THR A 48 -5.150 9.325 3.018 1.00 0.00 C ATOM 0 H THR A 48 -5.112 5.437 2.111 1.00 0.00 H new ATOM 0 HA THR A 48 -7.001 7.465 2.745 1.00 0.00 H new ATOM 0 HB THR A 48 -4.164 7.901 1.768 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.548 7.558 4.003 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.222 9.767 3.382 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.520 9.904 2.172 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.893 9.333 3.815 1.00 0.00 H new ATOM 685 N SER A 49 -7.257 8.906 0.662 1.00 0.00 N ATOM 686 CA SER A 49 -7.640 9.548 -0.589 1.00 0.00 C ATOM 687 C SER A 49 -6.871 10.850 -0.790 1.00 0.00 C ATOM 688 O SER A 49 -6.441 11.500 0.163 1.00 0.00 O ATOM 689 CB SER A 49 -9.145 9.824 -0.606 1.00 0.00 C ATOM 690 OG SER A 49 -9.849 8.857 0.154 1.00 0.00 O ATOM 0 H SER A 49 -7.608 9.371 1.499 1.00 0.00 H new ATOM 0 HA SER A 49 -7.393 8.870 -1.406 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.340 10.819 -0.205 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.508 9.818 -1.634 1.00 0.00 H new ATOM 0 HG SER A 49 -9.604 8.942 1.099 1.00 0.00 H new ATOM 696 N PRO A 50 -6.692 11.241 -2.061 1.00 0.00 N ATOM 697 CA PRO A 50 -5.974 12.468 -2.418 1.00 0.00 C ATOM 698 C PRO A 50 -6.750 13.725 -2.038 1.00 0.00 C ATOM 699 O PRO A 50 -6.314 14.842 -2.314 1.00 0.00 O ATOM 700 CB PRO A 50 -5.833 12.366 -3.939 1.00 0.00 C ATOM 701 CG PRO A 50 -6.963 11.495 -4.367 1.00 0.00 C ATOM 702 CD PRO A 50 -7.177 10.515 -3.247 1.00 0.00 C ATOM 0 HA PRO A 50 -5.023 12.552 -1.892 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -5.890 13.348 -4.409 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.872 11.934 -4.219 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.863 12.083 -4.548 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.727 10.979 -5.298 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -8.227 10.241 -3.148 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.620 9.592 -3.409 1.00 0.00 H new ATOM 710 N SER A 51 -7.902 13.534 -1.403 1.00 0.00 N ATOM 711 CA SER A 51 -8.740 14.653 -0.988 1.00 0.00 C ATOM 712 C SER A 51 -8.676 14.848 0.524 1.00 0.00 C ATOM 713 O SER A 51 -8.993 15.920 1.037 1.00 0.00 O ATOM 714 CB SER A 51 -10.189 14.421 -1.422 1.00 0.00 C ATOM 715 OG SER A 51 -10.649 13.148 -1.003 1.00 0.00 O ATOM 0 H SER A 51 -8.276 12.615 -1.165 1.00 0.00 H new ATOM 0 HA SER A 51 -8.363 15.555 -1.470 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.827 15.198 -1.001 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.264 14.499 -2.507 1.00 0.00 H new ATOM 0 HG SER A 51 -11.196 12.748 -1.711 1.00 0.00 H new ATOM 721 N GLY A 52 -8.262 13.801 1.233 1.00 0.00 N ATOM 722 CA GLY A 52 -8.164 13.877 2.678 1.00 0.00 C ATOM 723 C GLY A 52 -8.978 12.803 3.372 1.00 0.00 C ATOM 724 O GLY A 52 -8.797 12.550 4.563 1.00 0.00 O ATOM 0 H GLY A 52 -7.993 12.903 0.832 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.119 13.784 2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.503 14.858 3.011 1.00 0.00 H new ATOM 728 N ARG A 53 -9.878 12.171 2.626 1.00 0.00 N ATOM 729 CA ARG A 53 -10.726 11.121 3.178 1.00 0.00 C ATOM 730 C ARG A 53 -9.944 9.820 3.339 1.00 0.00 C ATOM 731 O ARG A 53 -8.966 9.580 2.630 1.00 0.00 O ATOM 732 CB ARG A 53 -11.940 10.890 2.277 1.00 0.00 C ATOM 733 CG ARG A 53 -13.086 11.853 2.542 1.00 0.00 C ATOM 734 CD ARG A 53 -12.717 13.278 2.159 1.00 0.00 C ATOM 735 NE ARG A 53 -12.778 13.490 0.715 1.00 0.00 N ATOM 736 CZ ARG A 53 -13.914 13.601 0.036 1.00 0.00 C ATOM 737 NH1 ARG A 53 -15.078 13.521 0.667 1.00 0.00 N ATOM 738 NH2 ARG A 53 -13.888 13.793 -1.276 1.00 0.00 N ATOM 0 H ARG A 53 -10.039 12.368 1.638 1.00 0.00 H new ATOM 0 HA ARG A 53 -11.068 11.444 4.161 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.632 10.983 1.236 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -12.295 9.869 2.415 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.964 11.539 1.978 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -13.356 11.817 3.597 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.393 13.974 2.656 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.711 13.500 2.516 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.900 13.556 0.200 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -15.102 13.374 1.676 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -15.949 13.607 0.143 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.995 13.856 -1.765 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.761 13.878 -1.796 1.00 0.00 H new ATOM 752 N VAL A 54 -10.382 8.984 4.275 1.00 0.00 N ATOM 753 CA VAL A 54 -9.724 7.708 4.528 1.00 0.00 C ATOM 754 C VAL A 54 -10.743 6.582 4.661 1.00 0.00 C ATOM 755 O VAL A 54 -11.723 6.698 5.398 1.00 0.00 O ATOM 756 CB VAL A 54 -8.866 7.763 5.806 1.00 0.00 C ATOM 757 CG1 VAL A 54 -8.302 6.388 6.130 1.00 0.00 C ATOM 758 CG2 VAL A 54 -7.749 8.784 5.654 1.00 0.00 C ATOM 0 H VAL A 54 -11.190 9.168 4.870 1.00 0.00 H new ATOM 0 HA VAL A 54 -9.077 7.510 3.673 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.501 8.074 6.636 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.699 6.446 7.036 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.121 5.686 6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.681 6.045 5.302 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.153 8.810 6.566 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.114 8.506 4.813 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.179 9.769 5.474 1.00 0.00 H new ATOM 768 N THR A 55 -10.506 5.488 3.943 1.00 0.00 N ATOM 769 CA THR A 55 -11.402 4.340 3.979 1.00 0.00 C ATOM 770 C THR A 55 -10.714 3.124 4.588 1.00 0.00 C ATOM 771 O THR A 55 -9.491 2.995 4.524 1.00 0.00 O ATOM 772 CB THR A 55 -11.909 3.978 2.571 1.00 0.00 C ATOM 773 OG1 THR A 55 -12.006 5.159 1.766 1.00 0.00 O ATOM 774 CG2 THR A 55 -13.266 3.294 2.643 1.00 0.00 C ATOM 0 H THR A 55 -9.700 5.374 3.329 1.00 0.00 H new ATOM 0 HA THR A 55 -12.252 4.622 4.601 1.00 0.00 H new ATOM 0 HB THR A 55 -11.196 3.288 2.119 1.00 0.00 H new ATOM 0 HG1 THR A 55 -12.327 4.920 0.872 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.603 3.048 1.636 1.00 0.00 H new ATOM 0 HG22 THR A 55 -13.182 2.380 3.231 1.00 0.00 H new ATOM 0 HG23 THR A 55 -13.986 3.963 3.114 1.00 0.00 H new ATOM 782 N GLU A 56 -11.506 2.234 5.177 1.00 0.00 N ATOM 783 CA GLU A 56 -10.970 1.027 5.797 1.00 0.00 C ATOM 784 C GLU A 56 -10.960 -0.134 4.807 1.00 0.00 C ATOM 785 O GLU A 56 -11.875 -0.282 3.998 1.00 0.00 O ATOM 786 CB GLU A 56 -11.794 0.653 7.031 1.00 0.00 C ATOM 787 CG GLU A 56 -11.150 -0.424 7.888 1.00 0.00 C ATOM 788 CD GLU A 56 -11.800 -0.550 9.252 1.00 0.00 C ATOM 789 OE1 GLU A 56 -13.001 -0.886 9.307 1.00 0.00 O ATOM 790 OE2 GLU A 56 -11.108 -0.311 10.264 1.00 0.00 O ATOM 0 H GLU A 56 -12.520 2.325 5.238 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.944 1.230 6.102 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.949 1.545 7.638 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.778 0.311 6.711 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.213 -1.381 7.370 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.091 -0.198 8.014 1.00 0.00 H new ATOM 797 N ALA A 57 -9.918 -0.955 4.878 1.00 0.00 N ATOM 798 CA ALA A 57 -9.788 -2.104 3.990 1.00 0.00 C ATOM 799 C ALA A 57 -9.977 -3.411 4.753 1.00 0.00 C ATOM 800 O ALA A 57 -9.916 -3.437 5.981 1.00 0.00 O ATOM 801 CB ALA A 57 -8.433 -2.086 3.298 1.00 0.00 C ATOM 0 H ALA A 57 -9.151 -0.846 5.542 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.570 -2.038 3.234 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.350 -2.950 2.638 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.335 -1.172 2.713 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.642 -2.124 4.047 1.00 0.00 H new ATOM 807 N GLU A 58 -10.208 -4.493 4.015 1.00 0.00 N ATOM 808 CA GLU A 58 -10.408 -5.803 4.624 1.00 0.00 C ATOM 809 C GLU A 58 -9.255 -6.743 4.284 1.00 0.00 C ATOM 810 O GLU A 58 -8.666 -6.654 3.206 1.00 0.00 O ATOM 811 CB GLU A 58 -11.732 -6.411 4.155 1.00 0.00 C ATOM 812 CG GLU A 58 -12.016 -7.781 4.748 1.00 0.00 C ATOM 813 CD GLU A 58 -11.382 -8.905 3.951 1.00 0.00 C ATOM 814 OE1 GLU A 58 -10.582 -8.608 3.039 1.00 0.00 O ATOM 815 OE2 GLU A 58 -11.686 -10.081 4.240 1.00 0.00 O ATOM 0 H GLU A 58 -10.261 -4.488 2.996 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.440 -5.672 5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.546 -5.735 4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.721 -6.490 3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.645 -7.813 5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -13.094 -7.936 4.794 1.00 0.00 H new ATOM 822 N ILE A 59 -8.938 -7.641 5.210 1.00 0.00 N ATOM 823 CA ILE A 59 -7.857 -8.597 5.009 1.00 0.00 C ATOM 824 C ILE A 59 -8.380 -10.029 5.017 1.00 0.00 C ATOM 825 O ILE A 59 -8.648 -10.597 6.076 1.00 0.00 O ATOM 826 CB ILE A 59 -6.770 -8.453 6.090 1.00 0.00 C ATOM 827 CG1 ILE A 59 -6.362 -6.986 6.243 1.00 0.00 C ATOM 828 CG2 ILE A 59 -5.562 -9.311 5.744 1.00 0.00 C ATOM 829 CD1 ILE A 59 -5.673 -6.684 7.555 1.00 0.00 C ATOM 0 H ILE A 59 -9.415 -7.726 6.108 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.420 -8.378 4.035 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.176 -8.798 7.041 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.698 -6.715 5.422 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.250 -6.359 6.155 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.802 -9.199 6.517 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.864 -10.356 5.681 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.153 -8.994 4.785 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.412 -5.626 7.594 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.342 -6.924 8.381 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.767 -7.284 7.637 1.00 0.00 H new ATOM 841 N VAL A 60 -8.522 -10.608 3.829 1.00 0.00 N ATOM 842 CA VAL A 60 -9.010 -11.976 3.699 1.00 0.00 C ATOM 843 C VAL A 60 -7.983 -12.978 4.216 1.00 0.00 C ATOM 844 O VAL A 60 -6.791 -12.890 3.922 1.00 0.00 O ATOM 845 CB VAL A 60 -9.349 -12.314 2.235 1.00 0.00 C ATOM 846 CG1 VAL A 60 -10.148 -13.606 2.156 1.00 0.00 C ATOM 847 CG2 VAL A 60 -10.109 -11.167 1.586 1.00 0.00 C ATOM 0 H VAL A 60 -8.306 -10.151 2.943 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.917 -12.047 4.300 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.417 -12.458 1.688 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.378 -13.828 1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.563 -14.422 2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.076 -13.495 2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.340 -11.423 0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.036 -10.989 2.132 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.496 -10.266 1.608 1.00 0.00 H new ATOM 857 N PRO A 61 -8.455 -13.954 5.005 1.00 0.00 N ATOM 858 CA PRO A 61 -7.595 -14.993 5.579 1.00 0.00 C ATOM 859 C PRO A 61 -7.074 -15.963 4.524 1.00 0.00 C ATOM 860 O PRO A 61 -7.851 -16.649 3.860 1.00 0.00 O ATOM 861 CB PRO A 61 -8.519 -15.717 6.561 1.00 0.00 C ATOM 862 CG PRO A 61 -9.892 -15.484 6.031 1.00 0.00 C ATOM 863 CD PRO A 61 -9.865 -14.120 5.397 1.00 0.00 C ATOM 0 HA PRO A 61 -6.703 -14.572 6.043 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.289 -16.781 6.610 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.412 -15.321 7.571 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.164 -16.248 5.302 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.632 -15.528 6.830 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.531 -14.064 4.536 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.182 -13.346 6.096 1.00 0.00 H new ATOM 871 N MET A 62 -5.754 -16.015 4.374 1.00 0.00 N ATOM 872 CA MET A 62 -5.130 -16.903 3.400 1.00 0.00 C ATOM 873 C MET A 62 -4.307 -17.981 4.096 1.00 0.00 C ATOM 874 O MET A 62 -4.668 -19.157 4.083 1.00 0.00 O ATOM 875 CB MET A 62 -4.242 -16.103 2.445 1.00 0.00 C ATOM 876 CG MET A 62 -4.973 -14.976 1.735 1.00 0.00 C ATOM 877 SD MET A 62 -6.158 -15.576 0.515 1.00 0.00 S ATOM 878 CE MET A 62 -5.426 -14.961 -1.000 1.00 0.00 C ATOM 0 H MET A 62 -5.096 -15.453 4.914 1.00 0.00 H new ATOM 0 HA MET A 62 -5.921 -17.388 2.828 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.405 -15.686 3.004 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.823 -16.779 1.700 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.494 -14.365 2.472 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.246 -14.330 1.243 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.054 -14.172 -1.414 1.00 0.00 H new ATOM 0 HE2 MET A 62 -4.434 -14.561 -0.789 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.343 -15.775 -1.721 1.00 0.00 H new ATOM 888 N GLY A 63 -3.197 -17.572 4.704 1.00 0.00 N ATOM 889 CA GLY A 63 -2.340 -18.516 5.397 1.00 0.00 C ATOM 890 C GLY A 63 -1.663 -17.904 6.608 1.00 0.00 C ATOM 891 O GLY A 63 -1.682 -16.687 6.790 1.00 0.00 O ATOM 0 H GLY A 63 -2.876 -16.604 4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.931 -19.376 5.711 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.580 -18.886 4.708 1.00 0.00 H new ATOM 895 N LYS A 64 -1.064 -18.750 7.439 1.00 0.00 N ATOM 896 CA LYS A 64 -0.378 -18.287 8.640 1.00 0.00 C ATOM 897 C LYS A 64 0.550 -17.119 8.320 1.00 0.00 C ATOM 898 O LYS A 64 0.756 -16.233 9.148 1.00 0.00 O ATOM 899 CB LYS A 64 0.422 -19.430 9.268 1.00 0.00 C ATOM 900 CG LYS A 64 1.394 -20.092 8.307 1.00 0.00 C ATOM 901 CD LYS A 64 2.101 -21.272 8.954 1.00 0.00 C ATOM 902 CE LYS A 64 3.355 -20.833 9.694 1.00 0.00 C ATOM 903 NZ LYS A 64 4.123 -21.995 10.221 1.00 0.00 N ATOM 0 H LYS A 64 -1.040 -19.761 7.303 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.131 -17.946 9.350 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.976 -19.047 10.125 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.271 -20.182 9.646 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.857 -20.430 7.420 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.132 -19.362 7.974 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.423 -21.768 9.648 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.365 -22.003 8.190 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.989 -20.253 9.023 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.079 -20.176 10.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.970 -21.654 10.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.527 -22.534 10.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.409 -22.609 9.432 1.00 0.00 H new ATOM 917 N ASN A 65 1.106 -17.124 7.113 1.00 0.00 N ATOM 918 CA ASN A 65 2.011 -16.064 6.684 1.00 0.00 C ATOM 919 C ASN A 65 1.558 -15.466 5.355 1.00 0.00 C ATOM 920 O ASN A 65 2.356 -14.885 4.620 1.00 0.00 O ATOM 921 CB ASN A 65 3.437 -16.605 6.552 1.00 0.00 C ATOM 922 CG ASN A 65 3.640 -17.395 5.274 1.00 0.00 C ATOM 923 OD1 ASN A 65 2.713 -18.028 4.769 1.00 0.00 O ATOM 924 ND2 ASN A 65 4.857 -17.362 4.745 1.00 0.00 N ATOM 0 H ASN A 65 0.946 -17.850 6.415 1.00 0.00 H new ATOM 0 HA ASN A 65 1.995 -15.279 7.440 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.142 -15.774 6.578 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.662 -17.241 7.408 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.054 -17.875 3.886 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.596 -16.824 5.198 1.00 0.00 H new ATOM 931 N SER A 66 0.271 -15.613 5.055 1.00 0.00 N ATOM 932 CA SER A 66 -0.289 -15.090 3.814 1.00 0.00 C ATOM 933 C SER A 66 -1.464 -14.159 4.098 1.00 0.00 C ATOM 934 O SER A 66 -2.266 -14.410 4.997 1.00 0.00 O ATOM 935 CB SER A 66 -0.740 -16.239 2.910 1.00 0.00 C ATOM 936 OG SER A 66 0.372 -16.936 2.377 1.00 0.00 O ATOM 0 H SER A 66 -0.403 -16.090 5.654 1.00 0.00 H new ATOM 0 HA SER A 66 0.488 -14.520 3.305 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.367 -16.927 3.477 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.351 -15.848 2.097 1.00 0.00 H new ATOM 0 HG SER A 66 0.057 -17.666 1.804 1.00 0.00 H new ATOM 942 N HIS A 67 -1.558 -13.083 3.324 1.00 0.00 N ATOM 943 CA HIS A 67 -2.635 -12.113 3.491 1.00 0.00 C ATOM 944 C HIS A 67 -3.010 -11.483 2.153 1.00 0.00 C ATOM 945 O HIS A 67 -2.140 -11.101 1.369 1.00 0.00 O ATOM 946 CB HIS A 67 -2.221 -11.025 4.482 1.00 0.00 C ATOM 947 CG HIS A 67 -1.993 -11.535 5.871 1.00 0.00 C ATOM 948 ND1 HIS A 67 -2.983 -11.574 6.830 1.00 0.00 N ATOM 949 CD2 HIS A 67 -0.880 -12.031 6.461 1.00 0.00 C ATOM 950 CE1 HIS A 67 -2.489 -12.070 7.950 1.00 0.00 C ATOM 951 NE2 HIS A 67 -1.214 -12.357 7.752 1.00 0.00 N ATOM 0 H HIS A 67 -0.902 -12.860 2.575 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.506 -12.638 3.883 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.308 -10.548 4.125 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.993 -10.256 4.508 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.090 -12.148 6.001 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.034 -12.216 8.871 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -0.581 -12.756 8.446 1.00 0.00 H new ATOM 959 N CYS A 68 -4.310 -11.378 1.898 1.00 0.00 N ATOM 960 CA CYS A 68 -4.801 -10.796 0.654 1.00 0.00 C ATOM 961 C CYS A 68 -5.876 -9.751 0.930 1.00 0.00 C ATOM 962 O CYS A 68 -6.947 -10.068 1.448 1.00 0.00 O ATOM 963 CB CYS A 68 -5.357 -11.889 -0.260 1.00 0.00 C ATOM 964 SG CYS A 68 -5.193 -11.530 -2.025 1.00 0.00 S ATOM 0 H CYS A 68 -5.043 -11.688 2.536 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.964 -10.307 0.155 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.844 -12.826 -0.042 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.411 -12.041 -0.027 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.801 -12.450 -2.713 1.00 0.00 H new ATOM 970 N VAL A 69 -5.583 -8.501 0.582 1.00 0.00 N ATOM 971 CA VAL A 69 -6.524 -7.408 0.793 1.00 0.00 C ATOM 972 C VAL A 69 -7.344 -7.139 -0.463 1.00 0.00 C ATOM 973 O VAL A 69 -6.821 -7.172 -1.577 1.00 0.00 O ATOM 974 CB VAL A 69 -5.798 -6.114 1.206 1.00 0.00 C ATOM 975 CG1 VAL A 69 -6.728 -4.917 1.082 1.00 0.00 C ATOM 976 CG2 VAL A 69 -5.257 -6.235 2.623 1.00 0.00 C ATOM 0 H VAL A 69 -4.701 -8.221 0.153 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.190 -7.715 1.599 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.955 -5.960 0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.198 -4.012 1.378 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.061 -4.821 0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.593 -5.059 1.730 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.747 -5.312 2.898 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -6.081 -6.414 3.313 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.554 -7.067 2.674 1.00 0.00 H new ATOM 986 N ARG A 70 -8.632 -6.872 -0.277 1.00 0.00 N ATOM 987 CA ARG A 70 -9.526 -6.597 -1.395 1.00 0.00 C ATOM 988 C ARG A 70 -10.346 -5.337 -1.139 1.00 0.00 C ATOM 989 O ARG A 70 -11.044 -5.232 -0.131 1.00 0.00 O ATOM 990 CB ARG A 70 -10.459 -7.786 -1.634 1.00 0.00 C ATOM 991 CG ARG A 70 -11.194 -8.244 -0.385 1.00 0.00 C ATOM 992 CD ARG A 70 -12.127 -9.407 -0.683 1.00 0.00 C ATOM 993 NE ARG A 70 -13.445 -8.953 -1.119 1.00 0.00 N ATOM 994 CZ ARG A 70 -14.392 -9.770 -1.567 1.00 0.00 C ATOM 995 NH1 ARG A 70 -14.169 -11.075 -1.636 1.00 0.00 N ATOM 996 NH2 ARG A 70 -15.566 -9.282 -1.946 1.00 0.00 N ATOM 0 H ARG A 70 -9.080 -6.840 0.639 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.916 -6.438 -2.284 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -11.189 -7.516 -2.397 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.878 -8.619 -2.029 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.472 -8.541 0.375 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -11.767 -7.413 0.027 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.686 -10.036 -1.456 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.233 -10.025 0.209 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.649 -7.955 -1.077 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.268 -11.455 -1.345 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -14.898 -11.699 -1.980 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -15.742 -8.279 -1.894 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -16.292 -9.910 -2.290 1.00 0.00 H new ATOM 1010 N PHE A 71 -10.257 -4.382 -2.059 1.00 0.00 N ATOM 1011 CA PHE A 71 -10.989 -3.127 -1.933 1.00 0.00 C ATOM 1012 C PHE A 71 -11.111 -2.430 -3.284 1.00 0.00 C ATOM 1013 O PHE A 71 -10.449 -2.806 -4.252 1.00 0.00 O ATOM 1014 CB PHE A 71 -10.293 -2.204 -0.930 1.00 0.00 C ATOM 1015 CG PHE A 71 -8.846 -1.958 -1.247 1.00 0.00 C ATOM 1016 CD1 PHE A 71 -8.484 -1.199 -2.349 1.00 0.00 C ATOM 1017 CD2 PHE A 71 -7.848 -2.485 -0.444 1.00 0.00 C ATOM 1018 CE1 PHE A 71 -7.153 -0.972 -2.643 1.00 0.00 C ATOM 1019 CE2 PHE A 71 -6.515 -2.260 -0.733 1.00 0.00 C ATOM 1020 CZ PHE A 71 -6.167 -1.502 -1.834 1.00 0.00 C ATOM 0 H PHE A 71 -9.685 -4.453 -2.900 1.00 0.00 H new ATOM 0 HA PHE A 71 -11.991 -3.355 -1.571 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -10.818 -1.249 -0.902 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -10.370 -2.639 0.066 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -9.250 -0.781 -2.985 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -8.114 -3.079 0.418 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -6.884 -0.380 -3.505 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.747 -2.676 -0.099 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.126 -1.324 -2.062 1.00 0.00 H new ATOM 1030 N VAL A 72 -11.962 -1.411 -3.343 1.00 0.00 N ATOM 1031 CA VAL A 72 -12.171 -0.659 -4.575 1.00 0.00 C ATOM 1032 C VAL A 72 -11.457 0.687 -4.525 1.00 0.00 C ATOM 1033 O VAL A 72 -11.981 1.677 -4.014 1.00 0.00 O ATOM 1034 CB VAL A 72 -13.670 -0.423 -4.841 1.00 0.00 C ATOM 1035 CG1 VAL A 72 -13.894 0.018 -6.279 1.00 0.00 C ATOM 1036 CG2 VAL A 72 -14.470 -1.679 -4.529 1.00 0.00 C ATOM 0 H VAL A 72 -12.518 -1.087 -2.552 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.755 -1.258 -5.386 1.00 0.00 H new ATOM 0 HB VAL A 72 -14.017 0.374 -4.184 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -14.959 0.180 -6.448 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.352 0.945 -6.464 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.532 -0.755 -6.957 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -15.527 -1.495 -4.722 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -14.123 -2.497 -5.160 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -14.334 -1.946 -3.481 1.00 0.00 H new ATOM 1046 N PRO A 73 -10.232 0.727 -5.070 1.00 0.00 N ATOM 1047 CA PRO A 73 -9.419 1.947 -5.101 1.00 0.00 C ATOM 1048 C PRO A 73 -9.984 2.995 -6.054 1.00 0.00 C ATOM 1049 O PRO A 73 -9.522 3.129 -7.187 1.00 0.00 O ATOM 1050 CB PRO A 73 -8.058 1.453 -5.596 1.00 0.00 C ATOM 1051 CG PRO A 73 -8.361 0.219 -6.373 1.00 0.00 C ATOM 1052 CD PRO A 73 -9.546 -0.415 -5.697 1.00 0.00 C ATOM 0 HA PRO A 73 -9.382 2.438 -4.128 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.568 2.202 -6.218 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.387 1.241 -4.763 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.586 0.458 -7.412 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.507 -0.458 -6.379 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -10.190 -0.927 -6.412 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.239 -1.155 -4.958 1.00 0.00 H new ATOM 1060 N GLN A 74 -10.984 3.736 -5.586 1.00 0.00 N ATOM 1061 CA GLN A 74 -11.611 4.772 -6.398 1.00 0.00 C ATOM 1062 C GLN A 74 -11.455 6.142 -5.747 1.00 0.00 C ATOM 1063 O GLN A 74 -12.023 6.404 -4.687 1.00 0.00 O ATOM 1064 CB GLN A 74 -13.093 4.459 -6.607 1.00 0.00 C ATOM 1065 CG GLN A 74 -13.722 3.696 -5.452 1.00 0.00 C ATOM 1066 CD GLN A 74 -15.235 3.797 -5.441 1.00 0.00 C ATOM 1067 OE1 GLN A 74 -15.825 4.543 -6.223 1.00 0.00 O ATOM 1068 NE2 GLN A 74 -15.872 3.045 -4.551 1.00 0.00 N ATOM 0 H GLN A 74 -11.377 3.638 -4.650 1.00 0.00 H new ATOM 0 HA GLN A 74 -11.111 4.791 -7.367 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -13.636 5.393 -6.753 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.208 3.877 -7.521 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -13.432 2.647 -5.514 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -13.329 4.080 -4.511 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -15.343 2.441 -3.922 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -16.890 3.071 -4.496 1.00 0.00 H new ATOM 1077 N GLU A 75 -10.681 7.012 -6.388 1.00 0.00 N ATOM 1078 CA GLU A 75 -10.450 8.355 -5.870 1.00 0.00 C ATOM 1079 C GLU A 75 -10.359 9.369 -7.007 1.00 0.00 C ATOM 1080 O GLU A 75 -10.490 9.017 -8.178 1.00 0.00 O ATOM 1081 CB GLU A 75 -9.168 8.391 -5.036 1.00 0.00 C ATOM 1082 CG GLU A 75 -9.285 7.660 -3.708 1.00 0.00 C ATOM 1083 CD GLU A 75 -10.565 7.997 -2.968 1.00 0.00 C ATOM 1084 OE1 GLU A 75 -11.026 9.152 -3.077 1.00 0.00 O ATOM 1085 OE2 GLU A 75 -11.105 7.105 -2.280 1.00 0.00 O ATOM 0 H GLU A 75 -10.204 6.811 -7.267 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.295 8.622 -5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.356 7.950 -5.614 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.897 9.430 -4.847 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.244 6.585 -3.884 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.430 7.913 -3.081 1.00 0.00 H new ATOM 1092 N MET A 76 -10.133 10.630 -6.651 1.00 0.00 N ATOM 1093 CA MET A 76 -10.023 11.695 -7.641 1.00 0.00 C ATOM 1094 C MET A 76 -8.561 12.023 -7.926 1.00 0.00 C ATOM 1095 O MET A 76 -8.244 13.099 -8.431 1.00 0.00 O ATOM 1096 CB MET A 76 -10.754 12.949 -7.155 1.00 0.00 C ATOM 1097 CG MET A 76 -12.263 12.781 -7.080 1.00 0.00 C ATOM 1098 SD MET A 76 -13.144 14.346 -7.242 1.00 0.00 S ATOM 1099 CE MET A 76 -13.619 14.290 -8.968 1.00 0.00 C ATOM 0 H MET A 76 -10.023 10.939 -5.685 1.00 0.00 H new ATOM 0 HA MET A 76 -10.486 11.348 -8.565 1.00 0.00 H new ATOM 0 HB2 MET A 76 -10.377 13.220 -6.169 1.00 0.00 H new ATOM 0 HB3 MET A 76 -10.522 13.778 -7.824 1.00 0.00 H new ATOM 0 HG2 MET A 76 -12.589 12.102 -7.868 1.00 0.00 H new ATOM 0 HG3 MET A 76 -12.526 12.317 -6.130 1.00 0.00 H new ATOM 0 HE1 MET A 76 -14.174 15.193 -9.222 1.00 0.00 H new ATOM 0 HE2 MET A 76 -12.726 14.226 -9.589 1.00 0.00 H new ATOM 0 HE3 MET A 76 -14.247 13.416 -9.145 1.00 0.00 H new ATOM 1109 N GLY A 77 -7.674 11.088 -7.599 1.00 0.00 N ATOM 1110 CA GLY A 77 -6.257 11.298 -7.828 1.00 0.00 C ATOM 1111 C GLY A 77 -5.433 10.058 -7.540 1.00 0.00 C ATOM 1112 O GLY A 77 -5.731 8.975 -8.045 1.00 0.00 O ATOM 0 H GLY A 77 -7.912 10.189 -7.180 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.101 11.602 -8.863 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.908 12.117 -7.199 1.00 0.00 H new ATOM 1116 N VAL A 78 -4.393 10.215 -6.728 1.00 0.00 N ATOM 1117 CA VAL A 78 -3.523 9.099 -6.375 1.00 0.00 C ATOM 1118 C VAL A 78 -4.041 8.368 -5.141 1.00 0.00 C ATOM 1119 O VAL A 78 -4.653 8.972 -4.259 1.00 0.00 O ATOM 1120 CB VAL A 78 -2.082 9.573 -6.110 1.00 0.00 C ATOM 1121 CG1 VAL A 78 -2.024 10.433 -4.857 1.00 0.00 C ATOM 1122 CG2 VAL A 78 -1.143 8.382 -5.994 1.00 0.00 C ATOM 0 H VAL A 78 -4.132 11.104 -6.302 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.522 8.417 -7.225 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.757 10.182 -6.954 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.998 10.758 -4.686 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.665 11.305 -4.985 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.368 9.852 -4.001 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.129 8.735 -5.807 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.463 7.745 -5.170 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.163 7.811 -6.922 1.00 0.00 H new ATOM 1132 N HIS A 79 -3.790 7.064 -5.084 1.00 0.00 N ATOM 1133 CA HIS A 79 -4.230 6.250 -3.956 1.00 0.00 C ATOM 1134 C HIS A 79 -3.042 5.819 -3.101 1.00 0.00 C ATOM 1135 O HIS A 79 -2.044 5.313 -3.615 1.00 0.00 O ATOM 1136 CB HIS A 79 -4.988 5.019 -4.454 1.00 0.00 C ATOM 1137 CG HIS A 79 -6.160 5.349 -5.327 1.00 0.00 C ATOM 1138 ND1 HIS A 79 -6.090 6.244 -6.373 1.00 0.00 N ATOM 1139 CD2 HIS A 79 -7.435 4.897 -5.305 1.00 0.00 C ATOM 1140 CE1 HIS A 79 -7.272 6.330 -6.956 1.00 0.00 C ATOM 1141 NE2 HIS A 79 -8.106 5.521 -6.327 1.00 0.00 N ATOM 0 H HIS A 79 -3.285 6.549 -5.805 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.897 6.854 -3.341 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.301 4.379 -5.008 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.336 4.445 -3.595 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.848 4.179 -4.612 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.515 6.955 -7.803 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -9.089 5.383 -6.563 1.00 0.00 H new ATOM 1149 N THR A 80 -3.156 6.024 -1.793 1.00 0.00 N ATOM 1150 CA THR A 80 -2.092 5.659 -0.866 1.00 0.00 C ATOM 1151 C THR A 80 -2.597 4.693 0.199 1.00 0.00 C ATOM 1152 O THR A 80 -3.485 5.027 0.983 1.00 0.00 O ATOM 1153 CB THR A 80 -1.497 6.901 -0.177 1.00 0.00 C ATOM 1154 OG1 THR A 80 -1.090 7.860 -1.159 1.00 0.00 O ATOM 1155 CG2 THR A 80 -0.307 6.521 0.691 1.00 0.00 C ATOM 0 H THR A 80 -3.975 6.441 -1.351 1.00 0.00 H new ATOM 0 HA THR A 80 -1.314 5.172 -1.454 1.00 0.00 H new ATOM 0 HB THR A 80 -2.266 7.338 0.459 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.715 8.647 -0.712 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.096 7.415 1.167 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.626 5.814 1.457 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.463 6.061 0.072 1.00 0.00 H new ATOM 1163 N VAL A 81 -2.025 3.494 0.223 1.00 0.00 N ATOM 1164 CA VAL A 81 -2.416 2.479 1.194 1.00 0.00 C ATOM 1165 C VAL A 81 -1.507 2.509 2.417 1.00 0.00 C ATOM 1166 O VAL A 81 -0.283 2.465 2.294 1.00 0.00 O ATOM 1167 CB VAL A 81 -2.382 1.068 0.577 1.00 0.00 C ATOM 1168 CG1 VAL A 81 -2.882 0.036 1.576 1.00 0.00 C ATOM 1169 CG2 VAL A 81 -3.205 1.027 -0.702 1.00 0.00 C ATOM 0 H VAL A 81 -1.289 3.201 -0.419 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.437 2.710 1.498 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.350 0.824 0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.851 -0.955 1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.247 0.050 2.462 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.907 0.272 1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.170 0.023 -1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.239 1.291 -0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.797 1.738 -1.420 1.00 0.00 H new ATOM 1179 N SER A 82 -2.113 2.584 3.598 1.00 0.00 N ATOM 1180 CA SER A 82 -1.358 2.623 4.844 1.00 0.00 C ATOM 1181 C SER A 82 -1.435 1.282 5.569 1.00 0.00 C ATOM 1182 O SER A 82 -2.485 0.904 6.088 1.00 0.00 O ATOM 1183 CB SER A 82 -1.886 3.736 5.751 1.00 0.00 C ATOM 1184 OG SER A 82 -1.774 5.002 5.123 1.00 0.00 O ATOM 0 H SER A 82 -3.125 2.619 3.717 1.00 0.00 H new ATOM 0 HA SER A 82 -0.315 2.826 4.601 1.00 0.00 H new ATOM 0 HB2 SER A 82 -2.929 3.542 6.001 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.329 3.741 6.688 1.00 0.00 H new ATOM 0 HG SER A 82 -2.120 5.696 5.722 1.00 0.00 H new ATOM 1190 N VAL A 83 -0.315 0.568 5.599 1.00 0.00 N ATOM 1191 CA VAL A 83 -0.253 -0.730 6.259 1.00 0.00 C ATOM 1192 C VAL A 83 0.734 -0.710 7.421 1.00 0.00 C ATOM 1193 O VAL A 83 1.943 -0.839 7.225 1.00 0.00 O ATOM 1194 CB VAL A 83 0.153 -1.843 5.275 1.00 0.00 C ATOM 1195 CG1 VAL A 83 -0.097 -3.214 5.885 1.00 0.00 C ATOM 1196 CG2 VAL A 83 -0.598 -1.691 3.961 1.00 0.00 C ATOM 0 H VAL A 83 0.563 0.867 5.174 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.253 -0.938 6.639 1.00 0.00 H new ATOM 0 HB VAL A 83 1.220 -1.752 5.071 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.196 -3.987 5.175 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.490 -3.319 6.798 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.156 -3.320 6.120 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.299 -2.485 3.277 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.670 -1.755 4.145 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.363 -0.723 3.518 1.00 0.00 H new ATOM 1206 N LYS A 84 0.212 -0.547 8.632 1.00 0.00 N ATOM 1207 CA LYS A 84 1.046 -0.511 9.827 1.00 0.00 C ATOM 1208 C LYS A 84 0.829 -1.757 10.679 1.00 0.00 C ATOM 1209 O LYS A 84 -0.288 -2.265 10.780 1.00 0.00 O ATOM 1210 CB LYS A 84 0.739 0.742 10.650 1.00 0.00 C ATOM 1211 CG LYS A 84 1.069 2.039 9.930 1.00 0.00 C ATOM 1212 CD LYS A 84 0.610 3.250 10.725 1.00 0.00 C ATOM 1213 CE LYS A 84 -0.864 3.543 10.492 1.00 0.00 C ATOM 1214 NZ LYS A 84 -1.408 4.491 11.503 1.00 0.00 N ATOM 0 H LYS A 84 -0.786 -0.438 8.812 1.00 0.00 H new ATOM 0 HA LYS A 84 2.089 -0.485 9.512 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.318 0.742 10.915 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.302 0.701 11.583 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.144 2.099 9.762 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.592 2.044 8.950 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.784 3.077 11.787 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.204 4.119 10.442 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.998 3.960 9.494 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.429 2.612 10.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.415 4.665 11.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.304 4.082 12.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.886 5.389 11.453 1.00 0.00 H new ATOM 1228 N TYR A 85 1.903 -2.244 11.291 1.00 0.00 N ATOM 1229 CA TYR A 85 1.831 -3.431 12.134 1.00 0.00 C ATOM 1230 C TYR A 85 1.965 -3.062 13.608 1.00 0.00 C ATOM 1231 O TYR A 85 3.072 -2.977 14.140 1.00 0.00 O ATOM 1232 CB TYR A 85 2.925 -4.427 11.744 1.00 0.00 C ATOM 1233 CG TYR A 85 2.996 -5.633 12.652 1.00 0.00 C ATOM 1234 CD1 TYR A 85 1.850 -6.155 13.238 1.00 0.00 C ATOM 1235 CD2 TYR A 85 4.211 -6.251 12.925 1.00 0.00 C ATOM 1236 CE1 TYR A 85 1.910 -7.257 14.069 1.00 0.00 C ATOM 1237 CE2 TYR A 85 4.280 -7.355 13.753 1.00 0.00 C ATOM 1238 CZ TYR A 85 3.128 -7.854 14.323 1.00 0.00 C ATOM 1239 OH TYR A 85 3.194 -8.952 15.150 1.00 0.00 O ATOM 0 H TYR A 85 2.834 -1.834 11.219 1.00 0.00 H new ATOM 0 HA TYR A 85 0.856 -3.894 11.982 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.752 -4.762 10.721 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.889 -3.918 11.754 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.895 -5.691 13.040 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.116 -5.862 12.483 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.009 -7.649 14.517 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.232 -7.825 13.953 1.00 0.00 H new ATOM 0 HH TYR A 85 4.124 -9.251 15.223 1.00 0.00 H new ATOM 1249 N ARG A 86 0.829 -2.843 14.262 1.00 0.00 N ATOM 1250 CA ARG A 86 0.818 -2.482 15.675 1.00 0.00 C ATOM 1251 C ARG A 86 1.484 -1.128 15.895 1.00 0.00 C ATOM 1252 O ARG A 86 2.200 -0.928 16.876 1.00 0.00 O ATOM 1253 CB ARG A 86 1.531 -3.554 16.502 1.00 0.00 C ATOM 1254 CG ARG A 86 0.949 -4.947 16.326 1.00 0.00 C ATOM 1255 CD ARG A 86 1.515 -5.920 17.348 1.00 0.00 C ATOM 1256 NE ARG A 86 1.223 -5.507 18.718 1.00 0.00 N ATOM 1257 CZ ARG A 86 1.476 -6.261 19.783 1.00 0.00 C ATOM 1258 NH1 ARG A 86 2.024 -7.459 19.636 1.00 0.00 N ATOM 1259 NH2 ARG A 86 1.182 -5.815 20.997 1.00 0.00 N ATOM 0 H ARG A 86 -0.096 -2.909 13.836 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.220 -2.413 15.999 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.585 -3.572 16.226 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.482 -3.280 17.556 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.136 -4.904 16.424 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.164 -5.308 15.320 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.100 -6.912 17.172 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.594 -5.998 17.215 1.00 0.00 H new ATOM 0 HE ARG A 86 0.802 -4.590 18.866 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.253 -7.804 18.704 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.217 -8.035 20.455 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.762 -4.893 21.114 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.376 -6.394 21.814 1.00 0.00 H new ATOM 1273 N GLY A 87 1.243 -0.199 14.975 1.00 0.00 N ATOM 1274 CA GLY A 87 1.828 1.125 15.086 1.00 0.00 C ATOM 1275 C GLY A 87 3.233 1.188 14.520 1.00 0.00 C ATOM 1276 O GLY A 87 4.126 1.778 15.127 1.00 0.00 O ATOM 0 H GLY A 87 0.653 -0.339 14.155 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.196 1.843 14.563 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.848 1.423 16.134 1.00 0.00 H new ATOM 1280 N GLN A 88 3.428 0.578 13.356 1.00 0.00 N ATOM 1281 CA GLN A 88 4.735 0.566 12.710 1.00 0.00 C ATOM 1282 C GLN A 88 4.603 0.266 11.220 1.00 0.00 C ATOM 1283 O GLN A 88 4.267 -0.852 10.828 1.00 0.00 O ATOM 1284 CB GLN A 88 5.645 -0.470 13.372 1.00 0.00 C ATOM 1285 CG GLN A 88 6.081 -0.088 14.777 1.00 0.00 C ATOM 1286 CD GLN A 88 7.393 -0.733 15.177 1.00 0.00 C ATOM 1287 OE1 GLN A 88 8.458 -0.357 14.685 1.00 0.00 O ATOM 1288 NE2 GLN A 88 7.324 -1.709 16.074 1.00 0.00 N ATOM 0 H GLN A 88 2.698 0.086 12.841 1.00 0.00 H new ATOM 0 HA GLN A 88 5.178 1.555 12.825 1.00 0.00 H new ATOM 0 HB2 GLN A 88 5.125 -1.427 13.410 1.00 0.00 H new ATOM 0 HB3 GLN A 88 6.530 -0.613 12.752 1.00 0.00 H new ATOM 0 HG2 GLN A 88 6.179 0.996 14.841 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.306 -0.380 15.486 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.420 -1.988 16.455 1.00 0.00 H new ATOM 0 HE22 GLN A 88 8.175 -2.180 16.382 1.00 0.00 H new ATOM 1297 N HIS A 89 4.871 1.272 10.393 1.00 0.00 N ATOM 1298 CA HIS A 89 4.783 1.116 8.946 1.00 0.00 C ATOM 1299 C HIS A 89 5.672 -0.027 8.467 1.00 0.00 C ATOM 1300 O HIS A 89 6.859 -0.080 8.788 1.00 0.00 O ATOM 1301 CB HIS A 89 5.182 2.416 8.246 1.00 0.00 C ATOM 1302 CG HIS A 89 4.132 3.481 8.316 1.00 0.00 C ATOM 1303 ND1 HIS A 89 3.178 3.663 7.338 1.00 0.00 N ATOM 1304 CD2 HIS A 89 3.889 4.424 9.257 1.00 0.00 C ATOM 1305 CE1 HIS A 89 2.394 4.672 7.673 1.00 0.00 C ATOM 1306 NE2 HIS A 89 2.804 5.151 8.834 1.00 0.00 N ATOM 0 H HIS A 89 5.151 2.203 10.701 1.00 0.00 H new ATOM 0 HA HIS A 89 3.749 0.879 8.694 1.00 0.00 H new ATOM 0 HB2 HIS A 89 6.101 2.793 8.695 1.00 0.00 H new ATOM 0 HB3 HIS A 89 5.402 2.203 7.200 1.00 0.00 H new ATOM 0 HD2 HIS A 89 4.445 4.576 10.170 1.00 0.00 H new ATOM 0 HE1 HIS A 89 1.560 5.042 7.096 1.00 0.00 H new ATOM 0 HE2 HIS A 89 2.383 5.934 9.335 1.00 0.00 H new ATOM 1314 N VAL A 90 5.089 -0.942 7.699 1.00 0.00 N ATOM 1315 CA VAL A 90 5.828 -2.085 7.176 1.00 0.00 C ATOM 1316 C VAL A 90 6.728 -1.673 6.016 1.00 0.00 C ATOM 1317 O VAL A 90 6.796 -0.498 5.655 1.00 0.00 O ATOM 1318 CB VAL A 90 4.877 -3.200 6.703 1.00 0.00 C ATOM 1319 CG1 VAL A 90 3.962 -3.638 7.837 1.00 0.00 C ATOM 1320 CG2 VAL A 90 4.067 -2.735 5.502 1.00 0.00 C ATOM 0 H VAL A 90 4.107 -0.914 7.425 1.00 0.00 H new ATOM 0 HA VAL A 90 6.443 -2.465 7.992 1.00 0.00 H new ATOM 0 HB VAL A 90 5.475 -4.059 6.398 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.297 -4.426 7.484 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.563 -4.014 8.665 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.369 -2.788 8.175 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.400 -3.535 5.181 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.478 -1.860 5.777 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.742 -2.476 4.686 1.00 0.00 H new ATOM 1330 N THR A 91 7.418 -2.649 5.434 1.00 0.00 N ATOM 1331 CA THR A 91 8.314 -2.389 4.315 1.00 0.00 C ATOM 1332 C THR A 91 7.542 -1.898 3.095 1.00 0.00 C ATOM 1333 O THR A 91 6.621 -2.563 2.622 1.00 0.00 O ATOM 1334 CB THR A 91 9.112 -3.649 3.930 1.00 0.00 C ATOM 1335 OG1 THR A 91 9.656 -4.262 5.104 1.00 0.00 O ATOM 1336 CG2 THR A 91 10.237 -3.303 2.966 1.00 0.00 C ATOM 0 H THR A 91 7.373 -3.627 5.720 1.00 0.00 H new ATOM 0 HA THR A 91 9.008 -1.613 4.639 1.00 0.00 H new ATOM 0 HB THR A 91 8.433 -4.346 3.438 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.160 -5.063 4.851 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.787 -4.208 2.708 1.00 0.00 H new ATOM 0 HG22 THR A 91 9.818 -2.863 2.061 1.00 0.00 H new ATOM 0 HG23 THR A 91 10.913 -2.590 3.437 1.00 0.00 H new ATOM 1344 N GLY A 92 7.925 -0.730 2.589 1.00 0.00 N ATOM 1345 CA GLY A 92 7.259 -0.170 1.428 1.00 0.00 C ATOM 1346 C GLY A 92 5.960 0.526 1.784 1.00 0.00 C ATOM 1347 O GLY A 92 5.027 0.561 0.983 1.00 0.00 O ATOM 0 H GLY A 92 8.685 -0.161 2.963 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.925 0.540 0.938 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.057 -0.965 0.710 1.00 0.00 H new ATOM 1351 N SER A 93 5.900 1.081 2.990 1.00 0.00 N ATOM 1352 CA SER A 93 4.704 1.775 3.453 1.00 0.00 C ATOM 1353 C SER A 93 5.035 3.202 3.880 1.00 0.00 C ATOM 1354 O SER A 93 6.082 3.474 4.468 1.00 0.00 O ATOM 1355 CB SER A 93 4.068 1.017 4.620 1.00 0.00 C ATOM 1356 OG SER A 93 2.674 1.261 4.687 1.00 0.00 O ATOM 0 H SER A 93 6.665 1.064 3.664 1.00 0.00 H new ATOM 0 HA SER A 93 3.995 1.816 2.626 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.248 -0.052 4.505 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.539 1.321 5.555 1.00 0.00 H new ATOM 0 HG SER A 93 2.404 1.358 5.624 1.00 0.00 H new ATOM 1362 N PRO A 94 4.122 4.137 3.576 1.00 0.00 N ATOM 1363 CA PRO A 94 2.873 3.824 2.875 1.00 0.00 C ATOM 1364 C PRO A 94 3.107 3.439 1.419 1.00 0.00 C ATOM 1365 O PRO A 94 4.136 3.778 0.834 1.00 0.00 O ATOM 1366 CB PRO A 94 2.082 5.132 2.962 1.00 0.00 C ATOM 1367 CG PRO A 94 3.117 6.193 3.110 1.00 0.00 C ATOM 1368 CD PRO A 94 4.239 5.570 3.893 1.00 0.00 C ATOM 0 HA PRO A 94 2.360 2.969 3.316 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.479 5.290 2.068 1.00 0.00 H new ATOM 0 HB3 PRO A 94 1.398 5.125 3.811 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.465 6.537 2.136 1.00 0.00 H new ATOM 0 HG3 PRO A 94 2.714 7.062 3.630 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.208 5.970 3.594 1.00 0.00 H new ATOM 0 HD3 PRO A 94 4.134 5.755 4.962 1.00 0.00 H new ATOM 1376 N PHE A 95 2.145 2.729 0.838 1.00 0.00 N ATOM 1377 CA PHE A 95 2.246 2.297 -0.551 1.00 0.00 C ATOM 1378 C PHE A 95 1.599 3.314 -1.486 1.00 0.00 C ATOM 1379 O PHE A 95 0.573 3.910 -1.156 1.00 0.00 O ATOM 1380 CB PHE A 95 1.585 0.929 -0.732 1.00 0.00 C ATOM 1381 CG PHE A 95 2.315 -0.185 -0.037 1.00 0.00 C ATOM 1382 CD1 PHE A 95 3.424 -0.775 -0.622 1.00 0.00 C ATOM 1383 CD2 PHE A 95 1.891 -0.644 1.200 1.00 0.00 C ATOM 1384 CE1 PHE A 95 4.098 -1.801 0.014 1.00 0.00 C ATOM 1385 CE2 PHE A 95 2.561 -1.668 1.841 1.00 0.00 C ATOM 1386 CZ PHE A 95 3.665 -2.248 1.247 1.00 0.00 C ATOM 0 H PHE A 95 1.287 2.441 1.308 1.00 0.00 H new ATOM 0 HA PHE A 95 3.303 2.218 -0.804 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.564 0.975 -0.354 1.00 0.00 H new ATOM 0 HB3 PHE A 95 1.521 0.703 -1.796 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.766 -0.429 -1.586 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.027 -0.196 1.668 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.961 -2.252 -0.452 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.222 -2.015 2.806 1.00 0.00 H new ATOM 0 HZ PHE A 95 4.189 -3.050 1.746 1.00 0.00 H new ATOM 1396 N GLN A 96 2.206 3.508 -2.652 1.00 0.00 N ATOM 1397 CA GLN A 96 1.689 4.454 -3.634 1.00 0.00 C ATOM 1398 C GLN A 96 1.488 3.779 -4.987 1.00 0.00 C ATOM 1399 O GLN A 96 2.403 3.154 -5.523 1.00 0.00 O ATOM 1400 CB GLN A 96 2.642 5.641 -3.780 1.00 0.00 C ATOM 1401 CG GLN A 96 2.364 6.768 -2.799 1.00 0.00 C ATOM 1402 CD GLN A 96 3.383 7.888 -2.892 1.00 0.00 C ATOM 1403 OE1 GLN A 96 4.543 7.719 -2.516 1.00 0.00 O ATOM 1404 NE2 GLN A 96 2.953 9.039 -3.394 1.00 0.00 N ATOM 0 H GLN A 96 3.056 3.023 -2.940 1.00 0.00 H new ATOM 0 HA GLN A 96 0.723 4.814 -3.281 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.666 5.294 -3.641 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.572 6.029 -4.796 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.369 7.171 -2.987 1.00 0.00 H new ATOM 0 HG3 GLN A 96 2.360 6.369 -1.785 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.983 9.134 -3.693 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.593 9.828 -3.481 1.00 0.00 H new ATOM 1413 N PHE A 97 0.284 3.909 -5.535 1.00 0.00 N ATOM 1414 CA PHE A 97 -0.038 3.311 -6.825 1.00 0.00 C ATOM 1415 C PHE A 97 -1.068 4.152 -7.573 1.00 0.00 C ATOM 1416 O PHE A 97 -1.985 4.712 -6.971 1.00 0.00 O ATOM 1417 CB PHE A 97 -0.566 1.888 -6.633 1.00 0.00 C ATOM 1418 CG PHE A 97 -1.942 1.836 -6.032 1.00 0.00 C ATOM 1419 CD1 PHE A 97 -2.110 1.788 -4.658 1.00 0.00 C ATOM 1420 CD2 PHE A 97 -3.066 1.834 -6.842 1.00 0.00 C ATOM 1421 CE1 PHE A 97 -3.375 1.739 -4.102 1.00 0.00 C ATOM 1422 CE2 PHE A 97 -4.334 1.785 -6.292 1.00 0.00 C ATOM 1423 CZ PHE A 97 -4.488 1.739 -4.920 1.00 0.00 C ATOM 0 H PHE A 97 -0.485 4.423 -5.105 1.00 0.00 H new ATOM 0 HA PHE A 97 0.875 3.275 -7.419 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.580 1.381 -7.598 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.123 1.337 -5.993 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.243 1.789 -4.014 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.951 1.871 -7.915 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.493 1.701 -3.029 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.202 1.783 -6.934 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.477 1.703 -4.488 1.00 0.00 H new ATOM 1433 N THR A 98 -0.910 4.238 -8.890 1.00 0.00 N ATOM 1434 CA THR A 98 -1.824 5.011 -9.721 1.00 0.00 C ATOM 1435 C THR A 98 -2.851 4.109 -10.395 1.00 0.00 C ATOM 1436 O THR A 98 -2.502 3.088 -10.988 1.00 0.00 O ATOM 1437 CB THR A 98 -1.066 5.804 -10.803 1.00 0.00 C ATOM 1438 OG1 THR A 98 -0.036 6.595 -10.199 1.00 0.00 O ATOM 1439 CG2 THR A 98 -2.015 6.704 -11.579 1.00 0.00 C ATOM 0 H THR A 98 -0.157 3.781 -9.404 1.00 0.00 H new ATOM 0 HA THR A 98 -2.336 5.710 -9.060 1.00 0.00 H new ATOM 0 HB THR A 98 -0.618 5.093 -11.497 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.442 7.095 -10.893 1.00 0.00 H new ATOM 0 HG21 THR A 98 -1.457 7.254 -12.337 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.780 6.096 -12.061 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.489 7.408 -10.895 1.00 0.00 H new ATOM 1447 N VAL A 99 -4.121 4.492 -10.301 1.00 0.00 N ATOM 1448 CA VAL A 99 -5.200 3.719 -10.904 1.00 0.00 C ATOM 1449 C VAL A 99 -5.516 4.218 -12.309 1.00 0.00 C ATOM 1450 O VAL A 99 -5.152 5.334 -12.679 1.00 0.00 O ATOM 1451 CB VAL A 99 -6.479 3.780 -10.049 1.00 0.00 C ATOM 1452 CG1 VAL A 99 -7.517 2.796 -10.569 1.00 0.00 C ATOM 1453 CG2 VAL A 99 -6.157 3.504 -8.588 1.00 0.00 C ATOM 0 H VAL A 99 -4.427 5.333 -9.813 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.857 2.686 -10.958 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.896 4.784 -10.122 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.414 2.853 -9.952 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.769 3.044 -11.600 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -7.112 1.785 -10.528 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.073 3.551 -7.998 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.716 2.512 -8.494 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.452 4.251 -8.223 1.00 0.00 H new ATOM 1463 N GLY A 100 -6.197 3.384 -13.088 1.00 0.00 N ATOM 1464 CA GLY A 100 -6.552 3.759 -14.445 1.00 0.00 C ATOM 1465 C GLY A 100 -8.023 4.092 -14.588 1.00 0.00 C ATOM 1466 O GLY A 100 -8.880 3.517 -13.917 1.00 0.00 O ATOM 0 H GLY A 100 -6.509 2.455 -12.804 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.957 4.620 -14.748 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -6.300 2.943 -15.122 1.00 0.00 H new ATOM 1470 N PRO A 101 -8.334 5.044 -15.481 1.00 0.00 N ATOM 1471 CA PRO A 101 -9.713 5.476 -15.730 1.00 0.00 C ATOM 1472 C PRO A 101 -10.536 4.405 -16.438 1.00 0.00 C ATOM 1473 O PRO A 101 -9.992 3.426 -16.949 1.00 0.00 O ATOM 1474 CB PRO A 101 -9.543 6.702 -16.630 1.00 0.00 C ATOM 1475 CG PRO A 101 -8.232 6.497 -17.306 1.00 0.00 C ATOM 1476 CD PRO A 101 -7.364 5.772 -16.316 1.00 0.00 C ATOM 0 HA PRO A 101 -10.250 5.681 -14.804 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.354 6.777 -17.354 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.549 7.624 -16.048 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.351 5.915 -18.220 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.787 7.450 -17.591 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -6.671 5.093 -16.811 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -6.764 6.464 -15.725 1.00 0.00 H new ATOM 1484 N LEU A 102 -11.850 4.598 -16.464 1.00 0.00 N ATOM 1485 CA LEU A 102 -12.750 3.649 -17.111 1.00 0.00 C ATOM 1486 C LEU A 102 -12.824 3.905 -18.613 1.00 0.00 C ATOM 1487 O LEU A 102 -13.217 4.985 -19.050 1.00 0.00 O ATOM 1488 CB LEU A 102 -14.148 3.742 -16.496 1.00 0.00 C ATOM 1489 CG LEU A 102 -15.256 2.988 -17.233 1.00 0.00 C ATOM 1490 CD1 LEU A 102 -16.403 2.667 -16.288 1.00 0.00 C ATOM 1491 CD2 LEU A 102 -15.753 3.798 -18.422 1.00 0.00 C ATOM 0 H LEU A 102 -12.316 5.403 -16.045 1.00 0.00 H new ATOM 0 HA LEU A 102 -12.356 2.645 -16.952 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -14.099 3.368 -15.473 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -14.428 4.794 -16.437 1.00 0.00 H new ATOM 0 HG LEU A 102 -14.845 2.049 -17.605 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -17.182 2.131 -16.830 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -16.037 2.047 -15.470 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -16.813 3.593 -15.886 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -16.541 3.246 -18.934 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -16.147 4.753 -18.073 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -14.928 3.976 -19.111 1.00 0.00 H new ATOM 1503 N GLY A 103 -12.445 2.901 -19.398 1.00 0.00 N ATOM 1504 CA GLY A 103 -12.478 3.037 -20.843 1.00 0.00 C ATOM 1505 C GLY A 103 -12.369 1.702 -21.553 1.00 0.00 C ATOM 1506 O GLY A 103 -11.564 0.853 -21.171 1.00 0.00 O ATOM 0 H GLY A 103 -12.116 1.997 -19.060 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -13.406 3.527 -21.138 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.661 3.683 -21.163 1.00 0.00 H new ATOM 1510 N GLU A 104 -13.181 1.516 -22.589 1.00 0.00 N ATOM 1511 CA GLU A 104 -13.173 0.274 -23.352 1.00 0.00 C ATOM 1512 C GLU A 104 -11.914 0.169 -24.207 1.00 0.00 C ATOM 1513 O GLU A 104 -11.335 1.179 -24.605 1.00 0.00 O ATOM 1514 CB GLU A 104 -14.416 0.187 -24.240 1.00 0.00 C ATOM 1515 CG GLU A 104 -14.712 -1.219 -24.736 1.00 0.00 C ATOM 1516 CD GLU A 104 -16.136 -1.373 -25.235 1.00 0.00 C ATOM 1517 OE1 GLU A 104 -16.657 -0.418 -25.847 1.00 0.00 O ATOM 1518 OE2 GLU A 104 -16.728 -2.450 -25.013 1.00 0.00 O ATOM 0 H GLU A 104 -13.852 2.210 -22.919 1.00 0.00 H new ATOM 0 HA GLU A 104 -13.182 -0.556 -22.646 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -15.277 0.555 -23.682 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -14.286 0.846 -25.098 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -14.020 -1.470 -25.540 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -14.535 -1.930 -23.929 1.00 0.00 H new ATOM 1525 N GLY A 105 -11.496 -1.062 -24.486 1.00 0.00 N ATOM 1526 CA GLY A 105 -10.308 -1.277 -25.292 1.00 0.00 C ATOM 1527 C GLY A 105 -9.189 -0.315 -24.944 1.00 0.00 C ATOM 1528 O GLY A 105 -8.584 -0.416 -23.878 1.00 0.00 O ATOM 0 H GLY A 105 -11.959 -1.914 -24.168 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -9.959 -2.300 -25.154 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -10.563 -1.167 -26.346 1.00 0.00 H new ATOM 1532 N GLY A 106 -8.912 0.620 -25.847 1.00 0.00 N ATOM 1533 CA GLY A 106 -7.858 1.589 -25.612 1.00 0.00 C ATOM 1534 C GLY A 106 -6.481 0.954 -25.590 1.00 0.00 C ATOM 1535 O GLY A 106 -6.051 0.427 -24.564 1.00 0.00 O ATOM 0 H GLY A 106 -9.399 0.724 -26.737 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.890 2.352 -26.389 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.037 2.093 -24.663 1.00 0.00 H new TER 1539 GLY A 106