USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 983 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 17 TYR OH : rot -145:sc= 0.0104 USER MOD Set 1.2: A 85 ASN : amide:sc= 0.00845 X(o=0.019,f=0.38) USER MOD Set 2.1: A 13 THR OG1 : rot 48:sc= 0.42 USER MOD Set 2.2: A 16 THR OG1 : rot 180:sc= 0.292 USER MOD Single : A 1 GLY N :NH3+ 149:sc= 0.0976 (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 38:sc= 1.07 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc=-0.000558 K(o=-0.00056,f=-3.1!) USER MOD Single : A 10 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0232) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 22 ASN : amide:sc= 0.417 K(o=0.42,f=-4.7!) USER MOD Single : A 28 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0941) USER MOD Single : A 30 SER OG : rot 13:sc= 0.246 USER MOD Single : A 36 GLN : amide:sc= -0.0219 X(o=-0.022,f=-0.18) USER MOD Single : A 40 LYS NZ :NH3+ 161:sc= 1.24 (180deg=1.12) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -153:sc= 0.806 (180deg=-0.0588!) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc=-0.00823 (180deg=-0.153) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 1.3 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 69 THR OG1 : rot -74:sc= 1.2 USER MOD Single : A 71 LYS NZ :NH3+ 173:sc= 1.03 (180deg=0.988) USER MOD Single : A 72 SER OG : rot -170:sc= 0.00444 USER MOD Single : A 74 THR OG1 : rot 160:sc= 0.0181 USER MOD Single : A 75 CYS SG : rot 180:sc= -0.747 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot -163:sc= 0.702 USER MOD Single : A 87 THR OG1 : rot 103:sc= 1.25 USER MOD Single : A 97 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.037) USER MOD Single : A 105 THR OG1 : rot 67:sc= -0.378 USER MOD Single : A 114 GLN : amide:sc= 0.872 K(o=0.87,f=0) USER MOD Single : A 115 THR OG1 : rot 180:sc=0.000895 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= -0.0264 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.200 31.973 -7.142 1.00 0.00 N ATOM 2 CA GLY A 1 20.304 30.966 -8.206 1.00 0.00 C ATOM 3 C GLY A 1 20.555 29.618 -7.565 1.00 0.00 C ATOM 4 O GLY A 1 21.198 29.565 -6.516 1.00 0.00 O ATOM 0 H1 GLY A 1 20.546 32.888 -7.495 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.206 32.068 -6.850 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.774 31.677 -6.327 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.387 30.941 -8.795 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.115 31.218 -8.889 1.00 0.00 H new ATOM 8 N SER A 2 20.053 28.547 -8.170 1.00 0.00 N ATOM 9 CA SER A 2 19.816 27.283 -7.491 1.00 0.00 C ATOM 10 C SER A 2 20.556 26.185 -8.250 1.00 0.00 C ATOM 11 O SER A 2 20.034 25.671 -9.241 1.00 0.00 O ATOM 12 CB SER A 2 18.299 27.067 -7.410 1.00 0.00 C ATOM 13 OG SER A 2 17.701 28.241 -6.878 1.00 0.00 O ATOM 0 H SER A 2 19.797 28.534 -9.157 1.00 0.00 H new ATOM 0 HA SER A 2 20.198 27.273 -6.470 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.894 26.851 -8.399 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.073 26.208 -6.779 1.00 0.00 H new ATOM 0 HG SER A 2 16.730 28.117 -6.822 1.00 0.00 H new ATOM 19 N SER A 3 21.787 25.878 -7.836 1.00 0.00 N ATOM 20 CA SER A 3 22.613 24.821 -8.411 1.00 0.00 C ATOM 21 C SER A 3 22.477 23.540 -7.573 1.00 0.00 C ATOM 22 O SER A 3 21.749 23.517 -6.577 1.00 0.00 O ATOM 23 CB SER A 3 24.067 25.309 -8.493 1.00 0.00 C ATOM 24 OG SER A 3 24.778 24.584 -9.478 1.00 0.00 O ATOM 0 H SER A 3 22.247 26.372 -7.071 1.00 0.00 H new ATOM 0 HA SER A 3 22.280 24.583 -9.421 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.087 26.373 -8.731 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.552 25.190 -7.524 1.00 0.00 H new ATOM 0 HG SER A 3 25.702 24.908 -9.519 1.00 0.00 H new ATOM 30 N GLY A 4 23.171 22.471 -7.963 1.00 0.00 N ATOM 31 CA GLY A 4 23.206 21.204 -7.249 1.00 0.00 C ATOM 32 C GLY A 4 24.382 20.361 -7.739 1.00 0.00 C ATOM 33 O GLY A 4 25.114 20.767 -8.644 1.00 0.00 O ATOM 0 H GLY A 4 23.740 22.467 -8.810 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.298 21.383 -6.178 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.272 20.664 -7.403 1.00 0.00 H new ATOM 37 N SER A 5 24.590 19.197 -7.125 1.00 0.00 N ATOM 38 CA SER A 5 25.606 18.218 -7.511 1.00 0.00 C ATOM 39 C SER A 5 25.331 16.800 -6.988 1.00 0.00 C ATOM 40 O SER A 5 25.980 15.857 -7.451 1.00 0.00 O ATOM 41 CB SER A 5 26.978 18.713 -7.030 1.00 0.00 C ATOM 42 OG SER A 5 27.518 19.578 -8.009 1.00 0.00 O ATOM 0 H SER A 5 24.039 18.900 -6.320 1.00 0.00 H new ATOM 0 HA SER A 5 25.583 18.137 -8.598 1.00 0.00 H new ATOM 0 HB2 SER A 5 26.879 19.235 -6.078 1.00 0.00 H new ATOM 0 HB3 SER A 5 27.646 17.869 -6.862 1.00 0.00 H new ATOM 0 HG SER A 5 26.802 20.126 -8.392 1.00 0.00 H new ATOM 48 N SER A 6 24.375 16.620 -6.081 1.00 0.00 N ATOM 49 CA SER A 6 23.870 15.347 -5.595 1.00 0.00 C ATOM 50 C SER A 6 22.343 15.396 -5.601 1.00 0.00 C ATOM 51 O SER A 6 21.742 16.475 -5.653 1.00 0.00 O ATOM 52 CB SER A 6 24.368 15.121 -4.163 1.00 0.00 C ATOM 53 OG SER A 6 25.626 14.471 -4.129 1.00 0.00 O ATOM 0 H SER A 6 23.905 17.411 -5.641 1.00 0.00 H new ATOM 0 HA SER A 6 24.220 14.534 -6.232 1.00 0.00 H new ATOM 0 HB2 SER A 6 24.443 16.080 -3.651 1.00 0.00 H new ATOM 0 HB3 SER A 6 23.638 14.524 -3.616 1.00 0.00 H new ATOM 0 HG SER A 6 25.906 14.349 -3.198 1.00 0.00 H new ATOM 59 N GLY A 7 21.716 14.230 -5.451 1.00 0.00 N ATOM 60 CA GLY A 7 20.328 14.156 -5.047 1.00 0.00 C ATOM 61 C GLY A 7 20.180 14.733 -3.643 1.00 0.00 C ATOM 62 O GLY A 7 21.132 14.777 -2.853 1.00 0.00 O ATOM 0 H GLY A 7 22.157 13.324 -5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.703 14.710 -5.748 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.987 13.121 -5.065 1.00 0.00 H new ATOM 66 N MET A 8 18.970 15.163 -3.318 1.00 0.00 N ATOM 67 CA MET A 8 18.618 15.789 -2.056 1.00 0.00 C ATOM 68 C MET A 8 17.147 15.516 -1.804 1.00 0.00 C ATOM 69 O MET A 8 16.409 15.288 -2.768 1.00 0.00 O ATOM 70 CB MET A 8 18.894 17.294 -2.131 1.00 0.00 C ATOM 71 CG MET A 8 18.102 18.039 -3.213 1.00 0.00 C ATOM 72 SD MET A 8 19.031 19.421 -3.916 1.00 0.00 S ATOM 73 CE MET A 8 17.811 20.743 -3.790 1.00 0.00 C ATOM 0 H MET A 8 18.176 15.081 -3.953 1.00 0.00 H new ATOM 0 HA MET A 8 19.213 15.385 -1.237 1.00 0.00 H new ATOM 0 HB2 MET A 8 18.667 17.740 -1.163 1.00 0.00 H new ATOM 0 HB3 MET A 8 19.958 17.446 -2.310 1.00 0.00 H new ATOM 0 HG2 MET A 8 17.834 17.343 -4.008 1.00 0.00 H new ATOM 0 HG3 MET A 8 17.170 18.410 -2.787 1.00 0.00 H new ATOM 0 HE1 MET A 8 18.234 21.667 -4.185 1.00 0.00 H new ATOM 0 HE2 MET A 8 16.924 20.475 -4.364 1.00 0.00 H new ATOM 0 HE3 MET A 8 17.537 20.887 -2.745 1.00 0.00 H new ATOM 83 N ASN A 9 16.737 15.585 -0.534 1.00 0.00 N ATOM 84 CA ASN A 9 15.516 14.986 0.010 1.00 0.00 C ATOM 85 C ASN A 9 15.683 13.462 0.028 1.00 0.00 C ATOM 86 O ASN A 9 16.406 12.908 -0.804 1.00 0.00 O ATOM 87 CB ASN A 9 14.279 15.415 -0.796 1.00 0.00 C ATOM 88 CG ASN A 9 12.999 15.479 0.014 1.00 0.00 C ATOM 89 OD1 ASN A 9 12.856 14.851 1.062 1.00 0.00 O ATOM 90 ND2 ASN A 9 12.062 16.291 -0.437 1.00 0.00 N ATOM 0 H ASN A 9 17.273 16.084 0.176 1.00 0.00 H new ATOM 0 HA ASN A 9 15.357 15.339 1.029 1.00 0.00 H new ATOM 0 HB2 ASN A 9 14.467 16.395 -1.234 1.00 0.00 H new ATOM 0 HB3 ASN A 9 14.138 14.718 -1.622 1.00 0.00 H new ATOM 0 HD21 ASN A 9 11.195 16.409 0.086 1.00 0.00 H new ATOM 0 HD22 ASN A 9 12.205 16.800 -1.309 1.00 0.00 H new ATOM 97 N LYS A 10 15.050 12.758 0.966 1.00 0.00 N ATOM 98 CA LYS A 10 15.060 11.293 1.010 1.00 0.00 C ATOM 99 C LYS A 10 13.782 10.846 1.715 1.00 0.00 C ATOM 100 O LYS A 10 13.512 11.364 2.807 1.00 0.00 O ATOM 101 CB LYS A 10 16.329 10.750 1.705 1.00 0.00 C ATOM 102 CG LYS A 10 17.267 10.048 0.703 1.00 0.00 C ATOM 103 CD LYS A 10 18.643 9.755 1.318 1.00 0.00 C ATOM 104 CE LYS A 10 19.685 9.238 0.313 1.00 0.00 C ATOM 105 NZ LYS A 10 20.047 10.241 -0.712 1.00 0.00 N ATOM 0 H LYS A 10 14.514 13.187 1.720 1.00 0.00 H new ATOM 0 HA LYS A 10 15.086 10.886 -0.001 1.00 0.00 H new ATOM 0 HB2 LYS A 10 16.860 11.571 2.188 1.00 0.00 H new ATOM 0 HB3 LYS A 10 16.044 10.049 2.490 1.00 0.00 H new ATOM 0 HG2 LYS A 10 16.811 9.115 0.371 1.00 0.00 H new ATOM 0 HG3 LYS A 10 17.390 10.675 -0.180 1.00 0.00 H new ATOM 0 HD2 LYS A 10 19.023 10.665 1.782 1.00 0.00 H new ATOM 0 HD3 LYS A 10 18.524 9.018 2.112 1.00 0.00 H new ATOM 0 HE2 LYS A 10 20.583 8.937 0.852 1.00 0.00 H new ATOM 0 HE3 LYS A 10 19.295 8.347 -0.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 20.835 9.881 -1.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 19.226 10.423 -1.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 20.334 11.125 -0.246 1.00 0.00 H new ATOM 119 N PRO A 11 12.999 9.948 1.103 1.00 0.00 N ATOM 120 CA PRO A 11 11.693 9.526 1.588 1.00 0.00 C ATOM 121 C PRO A 11 11.817 8.548 2.766 1.00 0.00 C ATOM 122 O PRO A 11 12.910 8.318 3.293 1.00 0.00 O ATOM 123 CB PRO A 11 11.013 8.947 0.343 1.00 0.00 C ATOM 124 CG PRO A 11 12.174 8.330 -0.426 1.00 0.00 C ATOM 125 CD PRO A 11 13.284 9.330 -0.181 1.00 0.00 C ATOM 0 HA PRO A 11 11.097 10.335 2.011 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.261 8.203 0.603 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.509 9.720 -0.238 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.429 7.338 -0.052 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.949 8.223 -1.487 1.00 0.00 H new ATOM 0 HD2 PRO A 11 14.256 8.837 -0.168 1.00 0.00 H new ATOM 0 HD3 PRO A 11 13.316 10.077 -0.974 1.00 0.00 H new ATOM 133 N LEU A 12 10.682 8.028 3.238 1.00 0.00 N ATOM 134 CA LEU A 12 10.580 7.178 4.423 1.00 0.00 C ATOM 135 C LEU A 12 11.223 5.827 4.097 1.00 0.00 C ATOM 136 O LEU A 12 11.031 5.280 3.013 1.00 0.00 O ATOM 137 CB LEU A 12 9.103 7.008 4.849 1.00 0.00 C ATOM 138 CG LEU A 12 8.359 8.229 5.455 1.00 0.00 C ATOM 139 CD1 LEU A 12 8.134 8.038 6.956 1.00 0.00 C ATOM 140 CD2 LEU A 12 9.038 9.592 5.268 1.00 0.00 C ATOM 0 H LEU A 12 9.780 8.193 2.791 1.00 0.00 H new ATOM 0 HA LEU A 12 11.102 7.639 5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.542 6.679 3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.060 6.199 5.578 1.00 0.00 H new ATOM 0 HG LEU A 12 7.427 8.256 4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.611 8.906 7.359 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.534 7.143 7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.096 7.929 7.457 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.429 10.368 5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.022 9.575 5.736 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.146 9.802 4.204 1.00 0.00 H new ATOM 152 N THR A 13 11.996 5.290 5.030 1.00 0.00 N ATOM 153 CA THR A 13 12.682 4.018 4.932 1.00 0.00 C ATOM 154 C THR A 13 11.695 2.847 4.959 1.00 0.00 C ATOM 155 O THR A 13 10.650 2.955 5.602 1.00 0.00 O ATOM 156 CB THR A 13 13.665 3.940 6.110 1.00 0.00 C ATOM 157 OG1 THR A 13 13.143 4.556 7.280 1.00 0.00 O ATOM 158 CG2 THR A 13 14.949 4.679 5.739 1.00 0.00 C ATOM 0 H THR A 13 12.168 5.757 5.920 1.00 0.00 H new ATOM 0 HA THR A 13 13.214 3.948 3.983 1.00 0.00 H new ATOM 0 HB THR A 13 13.846 2.885 6.314 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.230 4.238 7.437 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.652 4.628 6.571 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.394 4.215 4.859 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.719 5.722 5.522 1.00 0.00 H new ATOM 166 N PRO A 14 12.052 1.701 4.356 1.00 0.00 N ATOM 167 CA PRO A 14 11.143 0.583 4.132 1.00 0.00 C ATOM 168 C PRO A 14 10.639 -0.036 5.432 1.00 0.00 C ATOM 169 O PRO A 14 9.524 -0.551 5.456 1.00 0.00 O ATOM 170 CB PRO A 14 11.898 -0.434 3.271 1.00 0.00 C ATOM 171 CG PRO A 14 13.365 -0.027 3.383 1.00 0.00 C ATOM 172 CD PRO A 14 13.350 1.453 3.765 1.00 0.00 C ATOM 0 HA PRO A 14 10.243 0.930 3.624 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.741 -1.451 3.631 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.558 -0.406 2.236 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.881 -0.622 4.137 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.889 -0.184 2.440 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.149 1.682 4.470 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.507 2.083 2.890 1.00 0.00 H new ATOM 180 N SER A 15 11.411 0.038 6.512 1.00 0.00 N ATOM 181 CA SER A 15 11.039 -0.508 7.810 1.00 0.00 C ATOM 182 C SER A 15 10.012 0.361 8.548 1.00 0.00 C ATOM 183 O SER A 15 9.407 -0.094 9.517 1.00 0.00 O ATOM 184 CB SER A 15 12.315 -0.665 8.647 1.00 0.00 C ATOM 185 OG SER A 15 13.378 -1.152 7.838 1.00 0.00 O ATOM 0 H SER A 15 12.327 0.487 6.508 1.00 0.00 H new ATOM 0 HA SER A 15 10.558 -1.474 7.654 1.00 0.00 H new ATOM 0 HB2 SER A 15 12.592 0.294 9.084 1.00 0.00 H new ATOM 0 HB3 SER A 15 12.134 -1.352 9.474 1.00 0.00 H new ATOM 0 HG SER A 15 14.187 -1.246 8.383 1.00 0.00 H new ATOM 191 N THR A 16 9.798 1.607 8.120 1.00 0.00 N ATOM 192 CA THR A 16 8.884 2.509 8.794 1.00 0.00 C ATOM 193 C THR A 16 7.437 2.032 8.623 1.00 0.00 C ATOM 194 O THR A 16 7.026 1.721 7.508 1.00 0.00 O ATOM 195 CB THR A 16 9.162 3.928 8.282 1.00 0.00 C ATOM 196 OG1 THR A 16 10.500 4.281 8.617 1.00 0.00 O ATOM 197 CG2 THR A 16 8.247 4.964 8.914 1.00 0.00 C ATOM 0 H THR A 16 10.254 2.010 7.301 1.00 0.00 H new ATOM 0 HA THR A 16 9.041 2.518 9.873 1.00 0.00 H new ATOM 0 HB THR A 16 8.991 3.923 7.206 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.690 5.186 8.293 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.486 5.951 8.517 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.209 4.722 8.684 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.389 4.964 9.995 1.00 0.00 H new ATOM 205 N TYR A 17 6.663 1.962 9.714 1.00 0.00 N ATOM 206 CA TYR A 17 5.249 1.612 9.658 1.00 0.00 C ATOM 207 C TYR A 17 4.495 2.699 8.902 1.00 0.00 C ATOM 208 O TYR A 17 4.823 3.883 9.010 1.00 0.00 O ATOM 209 CB TYR A 17 4.642 1.533 11.060 1.00 0.00 C ATOM 210 CG TYR A 17 4.866 0.268 11.859 1.00 0.00 C ATOM 211 CD1 TYR A 17 6.067 -0.467 11.781 1.00 0.00 C ATOM 212 CD2 TYR A 17 3.854 -0.137 12.749 1.00 0.00 C ATOM 213 CE1 TYR A 17 6.267 -1.573 12.622 1.00 0.00 C ATOM 214 CE2 TYR A 17 4.063 -1.219 13.612 1.00 0.00 C ATOM 215 CZ TYR A 17 5.285 -1.921 13.573 1.00 0.00 C ATOM 216 OH TYR A 17 5.549 -2.868 14.511 1.00 0.00 O ATOM 0 H TYR A 17 7.005 2.147 10.657 1.00 0.00 H new ATOM 0 HA TYR A 17 5.165 0.643 9.165 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.032 2.369 11.641 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.566 1.684 10.968 1.00 0.00 H new ATOM 0 HD1 TYR A 17 6.832 -0.179 11.075 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.911 0.390 12.766 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.172 -2.157 12.541 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.290 -1.515 14.306 1.00 0.00 H new ATOM 0 HH TYR A 17 4.736 -3.384 14.693 1.00 0.00 H new ATOM 226 N ILE A 18 3.403 2.317 8.245 1.00 0.00 N ATOM 227 CA ILE A 18 2.593 3.240 7.455 1.00 0.00 C ATOM 228 C ILE A 18 2.003 4.349 8.335 1.00 0.00 C ATOM 229 O ILE A 18 1.848 5.484 7.899 1.00 0.00 O ATOM 230 CB ILE A 18 1.430 2.517 6.743 1.00 0.00 C ATOM 231 CG1 ILE A 18 1.603 1.006 6.491 1.00 0.00 C ATOM 232 CG2 ILE A 18 1.147 3.283 5.449 1.00 0.00 C ATOM 233 CD1 ILE A 18 2.763 0.591 5.609 1.00 0.00 C ATOM 0 H ILE A 18 3.055 1.358 8.245 1.00 0.00 H new ATOM 0 HA ILE A 18 3.260 3.671 6.708 1.00 0.00 H new ATOM 0 HB ILE A 18 0.581 2.531 7.426 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.715 0.511 7.456 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.684 0.628 6.044 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.328 2.803 4.913 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.872 4.310 5.687 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.039 3.282 4.823 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.775 -0.494 5.510 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.651 1.044 4.624 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.699 0.925 6.058 1.00 0.00 H new ATOM 245 N ARG A 19 1.640 4.050 9.582 1.00 0.00 N ATOM 246 CA ARG A 19 1.064 5.060 10.471 1.00 0.00 C ATOM 247 C ARG A 19 2.058 6.163 10.846 1.00 0.00 C ATOM 248 O ARG A 19 1.634 7.223 11.290 1.00 0.00 O ATOM 249 CB ARG A 19 0.400 4.417 11.695 1.00 0.00 C ATOM 250 CG ARG A 19 1.184 3.295 12.398 1.00 0.00 C ATOM 251 CD ARG A 19 0.458 3.011 13.721 1.00 0.00 C ATOM 252 NE ARG A 19 0.967 1.835 14.438 1.00 0.00 N ATOM 253 CZ ARG A 19 2.058 1.786 15.210 1.00 0.00 C ATOM 254 NH1 ARG A 19 2.918 2.797 15.261 1.00 0.00 N ATOM 255 NH2 ARG A 19 2.285 0.701 15.934 1.00 0.00 N ATOM 0 H ARG A 19 1.733 3.123 9.998 1.00 0.00 H new ATOM 0 HA ARG A 19 0.277 5.562 9.909 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.201 5.201 12.425 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.565 4.016 11.387 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.220 2.400 11.777 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.215 3.599 12.580 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.546 3.884 14.367 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.604 2.870 13.519 1.00 0.00 H new ATOM 0 HE ARG A 19 0.436 0.970 14.337 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.754 3.635 14.703 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.743 2.735 15.858 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.632 -0.082 15.898 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.113 0.648 16.528 1.00 0.00 H new ATOM 269 N ASN A 20 3.358 5.961 10.605 1.00 0.00 N ATOM 270 CA ASN A 20 4.376 6.998 10.758 1.00 0.00 C ATOM 271 C ASN A 20 4.563 7.799 9.460 1.00 0.00 C ATOM 272 O ASN A 20 5.541 8.541 9.339 1.00 0.00 O ATOM 273 CB ASN A 20 5.714 6.380 11.207 1.00 0.00 C ATOM 274 CG ASN A 20 5.631 5.717 12.571 1.00 0.00 C ATOM 275 OD1 ASN A 20 5.000 6.222 13.489 1.00 0.00 O ATOM 276 ND2 ASN A 20 6.243 4.558 12.748 1.00 0.00 N ATOM 0 H ASN A 20 3.733 5.064 10.296 1.00 0.00 H new ATOM 0 HA ASN A 20 4.032 7.688 11.528 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.034 5.644 10.470 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.477 7.158 11.233 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.189 4.085 13.650 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.769 4.137 11.982 1.00 0.00 H new ATOM 283 N LEU A 21 3.712 7.621 8.441 1.00 0.00 N ATOM 284 CA LEU A 21 3.810 8.395 7.207 1.00 0.00 C ATOM 285 C LEU A 21 3.194 9.755 7.469 1.00 0.00 C ATOM 286 O LEU A 21 2.130 9.867 8.079 1.00 0.00 O ATOM 287 CB LEU A 21 3.099 7.741 6.009 1.00 0.00 C ATOM 288 CG LEU A 21 3.659 6.391 5.512 1.00 0.00 C ATOM 289 CD1 LEU A 21 3.730 6.353 3.991 1.00 0.00 C ATOM 290 CD2 LEU A 21 5.045 6.009 6.037 1.00 0.00 C ATOM 0 H LEU A 21 2.948 6.945 8.452 1.00 0.00 H new ATOM 0 HA LEU A 21 4.864 8.460 6.937 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.052 7.596 6.275 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.122 8.444 5.176 1.00 0.00 H new ATOM 0 HG LEU A 21 2.949 5.668 5.914 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.128 5.391 3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.731 6.489 3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.382 7.152 3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.338 5.044 5.623 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.769 6.767 5.737 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.017 5.944 7.125 1.00 0.00 H new ATOM 302 N ASN A 22 3.852 10.799 6.974 1.00 0.00 N ATOM 303 CA ASN A 22 3.313 12.148 7.088 1.00 0.00 C ATOM 304 C ASN A 22 2.116 12.292 6.155 1.00 0.00 C ATOM 305 O ASN A 22 2.106 11.684 5.079 1.00 0.00 O ATOM 306 CB ASN A 22 4.353 13.206 6.707 1.00 0.00 C ATOM 307 CG ASN A 22 4.036 14.503 7.426 1.00 0.00 C ATOM 308 OD1 ASN A 22 3.368 15.367 6.862 1.00 0.00 O ATOM 309 ND2 ASN A 22 4.461 14.634 8.665 1.00 0.00 N ATOM 0 H ASN A 22 4.750 10.738 6.495 1.00 0.00 H new ATOM 0 HA ASN A 22 3.021 12.304 8.127 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.352 12.863 6.975 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.349 13.364 5.629 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.238 15.477 9.194 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.013 13.892 9.096 1.00 0.00 H new ATOM 316 N VAL A 23 1.196 13.206 6.461 1.00 0.00 N ATOM 317 CA VAL A 23 0.184 13.645 5.501 1.00 0.00 C ATOM 318 C VAL A 23 0.797 14.181 4.206 1.00 0.00 C ATOM 319 O VAL A 23 0.136 14.106 3.176 1.00 0.00 O ATOM 320 CB VAL A 23 -0.780 14.675 6.106 1.00 0.00 C ATOM 321 CG1 VAL A 23 -1.801 13.958 6.990 1.00 0.00 C ATOM 322 CG2 VAL A 23 -0.043 15.783 6.871 1.00 0.00 C ATOM 0 H VAL A 23 1.131 13.659 7.372 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.390 12.754 5.249 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.306 15.174 5.292 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.486 14.688 7.420 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.363 13.243 6.390 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.282 13.431 7.791 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.768 16.487 7.280 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.534 15.342 7.684 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.629 16.308 6.193 1.00 0.00 H new ATOM 332 N GLY A 24 2.044 14.663 4.213 1.00 0.00 N ATOM 333 CA GLY A 24 2.782 14.943 2.989 1.00 0.00 C ATOM 334 C GLY A 24 2.776 13.718 2.081 1.00 0.00 C ATOM 335 O GLY A 24 2.094 13.710 1.056 1.00 0.00 O ATOM 0 H GLY A 24 2.564 14.867 5.067 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.334 15.791 2.471 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.808 15.222 3.230 1.00 0.00 H new ATOM 339 N ILE A 25 3.462 12.655 2.504 1.00 0.00 N ATOM 340 CA ILE A 25 3.633 11.428 1.739 1.00 0.00 C ATOM 341 C ILE A 25 2.254 10.857 1.407 1.00 0.00 C ATOM 342 O ILE A 25 2.033 10.426 0.283 1.00 0.00 O ATOM 343 CB ILE A 25 4.509 10.411 2.503 1.00 0.00 C ATOM 344 CG1 ILE A 25 5.909 10.960 2.850 1.00 0.00 C ATOM 345 CG2 ILE A 25 4.724 9.148 1.654 1.00 0.00 C ATOM 346 CD1 ILE A 25 5.964 11.786 4.127 1.00 0.00 C ATOM 0 H ILE A 25 3.925 12.627 3.413 1.00 0.00 H new ATOM 0 HA ILE A 25 4.157 11.647 0.809 1.00 0.00 H new ATOM 0 HB ILE A 25 3.970 10.195 3.426 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.601 10.123 2.944 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.261 11.573 2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.343 8.440 2.205 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.760 8.691 1.432 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.222 9.416 0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.984 12.131 4.293 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.301 12.646 4.033 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.646 11.173 4.971 1.00 0.00 H new ATOM 358 N LEU A 26 1.316 10.863 2.360 1.00 0.00 N ATOM 359 CA LEU A 26 -0.025 10.329 2.157 1.00 0.00 C ATOM 360 C LEU A 26 -0.748 11.084 1.037 1.00 0.00 C ATOM 361 O LEU A 26 -1.236 10.439 0.107 1.00 0.00 O ATOM 362 CB LEU A 26 -0.805 10.362 3.482 1.00 0.00 C ATOM 363 CG LEU A 26 -0.303 9.351 4.538 1.00 0.00 C ATOM 364 CD1 LEU A 26 -0.973 9.596 5.895 1.00 0.00 C ATOM 365 CD2 LEU A 26 -0.555 7.899 4.113 1.00 0.00 C ATOM 0 H LEU A 26 1.471 11.241 3.295 1.00 0.00 H new ATOM 0 HA LEU A 26 0.045 9.289 1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.746 11.367 3.900 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.857 10.164 3.276 1.00 0.00 H new ATOM 0 HG LEU A 26 0.772 9.505 4.625 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.602 8.871 6.620 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.741 10.604 6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.053 9.487 5.793 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.186 7.224 4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.624 7.741 3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.034 7.698 3.177 1.00 0.00 H new ATOM 377 N ARG A 27 -0.835 12.418 1.093 1.00 0.00 N ATOM 378 CA ARG A 27 -1.470 13.206 0.031 1.00 0.00 C ATOM 379 C ARG A 27 -0.735 13.033 -1.303 1.00 0.00 C ATOM 380 O ARG A 27 -1.385 13.000 -2.344 1.00 0.00 O ATOM 381 CB ARG A 27 -1.559 14.696 0.414 1.00 0.00 C ATOM 382 CG ARG A 27 -2.465 15.023 1.622 1.00 0.00 C ATOM 383 CD ARG A 27 -3.969 14.830 1.398 1.00 0.00 C ATOM 384 NE ARG A 27 -4.513 15.696 0.335 1.00 0.00 N ATOM 385 CZ ARG A 27 -4.878 16.978 0.461 1.00 0.00 C ATOM 386 NH1 ARG A 27 -4.815 17.593 1.638 1.00 0.00 N ATOM 387 NH2 ARG A 27 -5.282 17.657 -0.604 1.00 0.00 N ATOM 0 H ARG A 27 -0.472 12.976 1.866 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.486 12.829 -0.090 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.553 15.058 0.629 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.921 15.254 -0.450 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.159 14.399 2.462 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.290 16.059 1.914 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.161 13.788 1.143 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.498 15.033 2.329 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.622 15.276 -0.588 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.485 17.088 2.460 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.096 18.570 1.719 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.314 17.202 -1.517 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.561 18.634 -0.511 1.00 0.00 H new ATOM 401 N LYS A 28 0.597 12.908 -1.297 1.00 0.00 N ATOM 402 CA LYS A 28 1.359 12.655 -2.520 1.00 0.00 C ATOM 403 C LYS A 28 0.995 11.312 -3.130 1.00 0.00 C ATOM 404 O LYS A 28 0.829 11.216 -4.338 1.00 0.00 O ATOM 405 CB LYS A 28 2.864 12.703 -2.249 1.00 0.00 C ATOM 406 CG LYS A 28 3.361 14.120 -1.962 1.00 0.00 C ATOM 407 CD LYS A 28 4.768 14.326 -2.528 1.00 0.00 C ATOM 408 CE LYS A 28 4.796 14.653 -4.025 1.00 0.00 C ATOM 409 NZ LYS A 28 4.181 15.951 -4.363 1.00 0.00 N ATOM 0 H LYS A 28 1.169 12.979 -0.455 1.00 0.00 H new ATOM 0 HA LYS A 28 1.100 13.442 -3.228 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.098 12.060 -1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.398 12.301 -3.110 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.677 14.846 -2.401 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.367 14.298 -0.887 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.254 15.134 -1.981 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.355 13.424 -2.352 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.831 14.651 -4.368 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.278 13.863 -4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.412 16.199 -5.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.149 15.884 -4.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.548 16.686 -3.725 1.00 0.00 H new ATOM 423 N LEU A 29 0.911 10.276 -2.302 1.00 0.00 N ATOM 424 CA LEU A 29 0.513 8.931 -2.698 1.00 0.00 C ATOM 425 C LEU A 29 -0.842 8.936 -3.393 1.00 0.00 C ATOM 426 O LEU A 29 -0.973 8.339 -4.460 1.00 0.00 O ATOM 427 CB LEU A 29 0.494 8.006 -1.466 1.00 0.00 C ATOM 428 CG LEU A 29 1.713 7.081 -1.339 1.00 0.00 C ATOM 429 CD1 LEU A 29 1.515 5.845 -2.219 1.00 0.00 C ATOM 430 CD2 LEU A 29 3.063 7.732 -1.666 1.00 0.00 C ATOM 0 H LEU A 29 1.124 10.352 -1.307 1.00 0.00 H new ATOM 0 HA LEU A 29 1.244 8.552 -3.413 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.426 8.621 -0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.407 7.394 -1.502 1.00 0.00 H new ATOM 0 HG LEU A 29 1.765 6.815 -0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.382 5.190 -2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.621 5.310 -1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.402 6.153 -3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.860 6.998 -1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.053 8.093 -2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.237 8.569 -0.989 1.00 0.00 H new ATOM 442 N SER A 30 -1.857 9.578 -2.808 1.00 0.00 N ATOM 443 CA SER A 30 -3.202 9.521 -3.368 1.00 0.00 C ATOM 444 C SER A 30 -3.287 10.159 -4.756 1.00 0.00 C ATOM 445 O SER A 30 -4.114 9.727 -5.545 1.00 0.00 O ATOM 446 CB SER A 30 -4.215 10.104 -2.386 1.00 0.00 C ATOM 447 OG SER A 30 -3.784 11.337 -1.848 1.00 0.00 O ATOM 0 H SER A 30 -1.772 10.135 -1.958 1.00 0.00 H new ATOM 0 HA SER A 30 -3.457 8.472 -3.518 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.170 10.244 -2.892 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.384 9.395 -1.576 1.00 0.00 H new ATOM 0 HG SER A 30 -3.017 11.667 -2.361 1.00 0.00 H new ATOM 453 N ASP A 31 -2.391 11.084 -5.110 1.00 0.00 N ATOM 454 CA ASP A 31 -2.295 11.647 -6.462 1.00 0.00 C ATOM 455 C ASP A 31 -2.101 10.563 -7.534 1.00 0.00 C ATOM 456 O ASP A 31 -2.461 10.770 -8.694 1.00 0.00 O ATOM 457 CB ASP A 31 -1.106 12.607 -6.483 1.00 0.00 C ATOM 458 CG ASP A 31 -0.989 13.460 -7.740 1.00 0.00 C ATOM 459 OD1 ASP A 31 -1.863 14.318 -7.990 1.00 0.00 O ATOM 460 OD2 ASP A 31 0.095 13.435 -8.363 1.00 0.00 O ATOM 0 H ASP A 31 -1.704 11.468 -4.461 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.228 12.160 -6.696 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.177 13.268 -5.619 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.189 12.029 -6.368 1.00 0.00 H new ATOM 465 N PHE A 32 -1.542 9.407 -7.150 1.00 0.00 N ATOM 466 CA PHE A 32 -1.341 8.240 -8.002 1.00 0.00 C ATOM 467 C PHE A 32 -2.292 7.081 -7.667 1.00 0.00 C ATOM 468 O PHE A 32 -2.549 6.253 -8.534 1.00 0.00 O ATOM 469 CB PHE A 32 0.130 7.787 -7.907 1.00 0.00 C ATOM 470 CG PHE A 32 1.178 8.878 -8.086 1.00 0.00 C ATOM 471 CD1 PHE A 32 0.999 9.908 -9.029 1.00 0.00 C ATOM 472 CD2 PHE A 32 2.341 8.873 -7.292 1.00 0.00 C ATOM 473 CE1 PHE A 32 1.950 10.933 -9.150 1.00 0.00 C ATOM 474 CE2 PHE A 32 3.304 9.887 -7.432 1.00 0.00 C ATOM 475 CZ PHE A 32 3.098 10.933 -8.346 1.00 0.00 C ATOM 0 H PHE A 32 -1.206 9.260 -6.198 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.574 8.534 -9.025 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.283 7.320 -6.934 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.302 7.018 -8.661 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.125 9.909 -9.663 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.494 8.084 -6.570 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.796 11.726 -9.867 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.204 9.862 -6.836 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.820 11.732 -8.429 1.00 0.00 H new ATOM 485 N ILE A 33 -2.759 6.975 -6.417 1.00 0.00 N ATOM 486 CA ILE A 33 -3.462 5.801 -5.889 1.00 0.00 C ATOM 487 C ILE A 33 -4.986 5.982 -5.843 1.00 0.00 C ATOM 488 O ILE A 33 -5.715 4.988 -5.834 1.00 0.00 O ATOM 489 CB ILE A 33 -2.866 5.453 -4.502 1.00 0.00 C ATOM 490 CG1 ILE A 33 -1.371 5.073 -4.575 1.00 0.00 C ATOM 491 CG2 ILE A 33 -3.612 4.329 -3.773 1.00 0.00 C ATOM 492 CD1 ILE A 33 -1.070 3.799 -5.372 1.00 0.00 C ATOM 0 H ILE A 33 -2.656 7.721 -5.729 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.307 4.965 -6.571 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.984 6.374 -3.932 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.821 5.902 -5.021 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.992 4.948 -3.561 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.137 4.142 -2.810 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.649 4.624 -3.615 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.581 3.421 -4.375 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.004 3.613 -5.368 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.587 2.954 -4.916 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.413 3.923 -6.399 1.00 0.00 H new ATOM 504 N ASP A 34 -5.478 7.217 -5.740 1.00 0.00 N ATOM 505 CA ASP A 34 -6.901 7.527 -5.849 1.00 0.00 C ATOM 506 C ASP A 34 -7.403 7.198 -7.261 1.00 0.00 C ATOM 507 O ASP A 34 -8.289 6.346 -7.368 1.00 0.00 O ATOM 508 CB ASP A 34 -7.180 8.975 -5.428 1.00 0.00 C ATOM 509 CG ASP A 34 -8.585 9.453 -5.780 1.00 0.00 C ATOM 510 OD1 ASP A 34 -9.567 8.745 -5.457 1.00 0.00 O ATOM 511 OD2 ASP A 34 -8.671 10.589 -6.304 1.00 0.00 O ATOM 0 H ASP A 34 -4.893 8.037 -5.577 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.464 6.900 -5.157 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.033 9.066 -4.352 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.452 9.630 -5.906 1.00 0.00 H new ATOM 516 N PRO A 35 -6.855 7.775 -8.350 1.00 0.00 N ATOM 517 CA PRO A 35 -7.249 7.362 -9.690 1.00 0.00 C ATOM 518 C PRO A 35 -6.788 5.923 -9.969 1.00 0.00 C ATOM 519 O PRO A 35 -6.005 5.334 -9.217 1.00 0.00 O ATOM 520 CB PRO A 35 -6.608 8.385 -10.632 1.00 0.00 C ATOM 521 CG PRO A 35 -5.344 8.802 -9.886 1.00 0.00 C ATOM 522 CD PRO A 35 -5.781 8.763 -8.424 1.00 0.00 C ATOM 0 HA PRO A 35 -8.331 7.345 -9.825 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -6.377 7.948 -11.603 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.267 9.234 -10.813 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.517 8.118 -10.079 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -5.010 9.797 -10.181 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.950 8.485 -7.776 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.128 9.742 -8.095 1.00 0.00 H new ATOM 530 N GLN A 36 -7.267 5.359 -11.082 1.00 0.00 N ATOM 531 CA GLN A 36 -6.990 3.988 -11.506 1.00 0.00 C ATOM 532 C GLN A 36 -7.375 2.926 -10.458 1.00 0.00 C ATOM 533 O GLN A 36 -6.950 1.773 -10.582 1.00 0.00 O ATOM 534 CB GLN A 36 -5.522 3.831 -11.956 1.00 0.00 C ATOM 535 CG GLN A 36 -5.134 4.656 -13.192 1.00 0.00 C ATOM 536 CD GLN A 36 -3.856 4.089 -13.818 1.00 0.00 C ATOM 537 OE1 GLN A 36 -3.815 2.901 -14.137 1.00 0.00 O ATOM 538 NE2 GLN A 36 -2.807 4.878 -13.983 1.00 0.00 N ATOM 0 H GLN A 36 -7.875 5.860 -11.730 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.637 3.802 -12.364 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.871 4.114 -11.129 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.332 2.778 -12.165 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.945 4.639 -13.920 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -4.980 5.698 -12.911 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -2.860 5.860 -13.713 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.945 4.504 -14.381 1.00 0.00 H new ATOM 547 N GLU A 37 -8.165 3.279 -9.433 1.00 0.00 N ATOM 548 CA GLU A 37 -8.515 2.428 -8.302 1.00 0.00 C ATOM 549 C GLU A 37 -7.278 1.735 -7.702 1.00 0.00 C ATOM 550 O GLU A 37 -7.347 0.606 -7.207 1.00 0.00 O ATOM 551 CB GLU A 37 -9.692 1.522 -8.719 1.00 0.00 C ATOM 552 CG GLU A 37 -11.009 2.143 -8.234 1.00 0.00 C ATOM 553 CD GLU A 37 -12.217 1.644 -9.027 1.00 0.00 C ATOM 554 OE1 GLU A 37 -12.698 0.524 -8.733 1.00 0.00 O ATOM 555 OE2 GLU A 37 -12.715 2.398 -9.898 1.00 0.00 O ATOM 0 H GLU A 37 -8.591 4.204 -9.374 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.877 3.013 -7.456 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.709 1.405 -9.803 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.568 0.526 -8.293 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.150 1.910 -7.178 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.947 3.228 -8.316 1.00 0.00 H new ATOM 562 N GLY A 38 -6.136 2.435 -7.699 1.00 0.00 N ATOM 563 CA GLY A 38 -4.890 1.956 -7.122 1.00 0.00 C ATOM 564 C GLY A 38 -5.073 1.503 -5.675 1.00 0.00 C ATOM 565 O GLY A 38 -4.499 0.493 -5.266 1.00 0.00 O ATOM 0 H GLY A 38 -6.059 3.367 -8.107 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.509 1.126 -7.717 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.142 2.748 -7.163 1.00 0.00 H new ATOM 569 N TRP A 39 -5.908 2.199 -4.899 1.00 0.00 N ATOM 570 CA TRP A 39 -6.221 1.811 -3.532 1.00 0.00 C ATOM 571 C TRP A 39 -6.963 0.474 -3.489 1.00 0.00 C ATOM 572 O TRP A 39 -6.597 -0.389 -2.693 1.00 0.00 O ATOM 573 CB TRP A 39 -7.026 2.903 -2.826 1.00 0.00 C ATOM 574 CG TRP A 39 -8.374 3.203 -3.393 1.00 0.00 C ATOM 575 CD1 TRP A 39 -8.662 4.084 -4.378 1.00 0.00 C ATOM 576 CD2 TRP A 39 -9.636 2.577 -3.028 1.00 0.00 C ATOM 577 NE1 TRP A 39 -10.014 4.053 -4.641 1.00 0.00 N ATOM 578 CE2 TRP A 39 -10.657 3.115 -3.861 1.00 0.00 C ATOM 579 CE3 TRP A 39 -9.999 1.549 -2.128 1.00 0.00 C ATOM 580 CZ2 TRP A 39 -11.973 2.645 -3.800 1.00 0.00 C ATOM 581 CZ3 TRP A 39 -11.324 1.084 -2.057 1.00 0.00 C ATOM 582 CH2 TRP A 39 -12.317 1.664 -2.858 1.00 0.00 C ATOM 0 H TRP A 39 -6.384 3.047 -5.206 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.278 1.685 -3.000 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -7.150 2.615 -1.782 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -6.439 3.821 -2.836 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.943 4.714 -4.881 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -10.480 4.648 -5.326 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -9.247 1.114 -1.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -12.721 3.035 -4.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -11.577 0.278 -1.384 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -13.346 1.356 -2.750 1.00 0.00 H new ATOM 593 N LYS A 40 -7.975 0.264 -4.344 1.00 0.00 N ATOM 594 CA LYS A 40 -8.697 -1.010 -4.416 1.00 0.00 C ATOM 595 C LYS A 40 -7.730 -2.129 -4.766 1.00 0.00 C ATOM 596 O LYS A 40 -7.899 -3.241 -4.275 1.00 0.00 O ATOM 597 CB LYS A 40 -9.847 -0.972 -5.450 1.00 0.00 C ATOM 598 CG LYS A 40 -11.162 -0.472 -4.875 1.00 0.00 C ATOM 599 CD LYS A 40 -12.403 -0.885 -5.673 1.00 0.00 C ATOM 600 CE LYS A 40 -13.486 0.204 -5.621 1.00 0.00 C ATOM 601 NZ LYS A 40 -14.478 0.076 -6.706 1.00 0.00 N ATOM 0 H LYS A 40 -8.312 0.969 -5.000 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.141 -1.191 -3.437 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.556 -0.331 -6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.994 -1.973 -5.855 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.262 -0.842 -3.855 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.128 0.616 -4.817 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.125 -1.076 -6.710 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.802 -1.817 -5.273 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.997 0.156 -4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.013 1.184 -5.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -15.337 0.605 -6.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -14.080 0.460 -7.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.716 -0.927 -6.842 1.00 0.00 H new ATOM 615 N LYS A 41 -6.733 -1.860 -5.607 1.00 0.00 N ATOM 616 CA LYS A 41 -5.781 -2.858 -6.075 1.00 0.00 C ATOM 617 C LYS A 41 -4.843 -3.216 -4.931 1.00 0.00 C ATOM 618 O LYS A 41 -4.653 -4.392 -4.639 1.00 0.00 O ATOM 619 CB LYS A 41 -5.069 -2.328 -7.319 1.00 0.00 C ATOM 620 CG LYS A 41 -6.051 -2.231 -8.496 1.00 0.00 C ATOM 621 CD LYS A 41 -5.627 -1.157 -9.505 1.00 0.00 C ATOM 622 CE LYS A 41 -4.820 -1.750 -10.664 1.00 0.00 C ATOM 623 NZ LYS A 41 -4.594 -0.763 -11.739 1.00 0.00 N ATOM 0 H LYS A 41 -6.564 -0.928 -5.986 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.277 -3.781 -6.375 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.642 -1.347 -7.111 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.241 -2.987 -7.581 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.113 -3.197 -8.998 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.048 -2.003 -8.120 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.513 -0.657 -9.897 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.031 -0.398 -8.998 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.860 -2.108 -10.292 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.347 -2.614 -11.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.045 -1.203 -12.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.510 -0.440 -12.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.068 0.050 -11.359 1.00 0.00 H new ATOM 637 N LEU A 42 -4.295 -2.217 -4.235 1.00 0.00 N ATOM 638 CA LEU A 42 -3.454 -2.406 -3.071 1.00 0.00 C ATOM 639 C LEU A 42 -4.201 -3.210 -2.005 1.00 0.00 C ATOM 640 O LEU A 42 -3.695 -4.230 -1.544 1.00 0.00 O ATOM 641 CB LEU A 42 -3.027 -1.006 -2.611 1.00 0.00 C ATOM 642 CG LEU A 42 -1.925 -0.918 -1.549 1.00 0.00 C ATOM 643 CD1 LEU A 42 -2.500 -0.578 -0.175 1.00 0.00 C ATOM 644 CD2 LEU A 42 -0.953 -2.100 -1.492 1.00 0.00 C ATOM 0 H LEU A 42 -4.432 -1.236 -4.478 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.560 -2.991 -3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.695 -0.450 -3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.909 -0.495 -2.225 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.297 -0.091 -1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.692 -0.523 0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.012 0.383 -0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.208 -1.351 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.218 -1.929 -0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.505 -3.015 -1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.443 -2.198 -2.450 1.00 0.00 H new ATOM 656 N ALA A 43 -5.426 -2.800 -1.668 1.00 0.00 N ATOM 657 CA ALA A 43 -6.287 -3.484 -0.716 1.00 0.00 C ATOM 658 C ALA A 43 -6.390 -4.988 -0.986 1.00 0.00 C ATOM 659 O ALA A 43 -6.194 -5.768 -0.057 1.00 0.00 O ATOM 660 CB ALA A 43 -7.673 -2.842 -0.728 1.00 0.00 C ATOM 0 H ALA A 43 -5.852 -1.961 -2.063 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.837 -3.376 0.271 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.318 -3.355 -0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.590 -1.791 -0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.102 -2.921 -1.727 1.00 0.00 H new ATOM 666 N VAL A 44 -6.712 -5.415 -2.213 1.00 0.00 N ATOM 667 CA VAL A 44 -6.874 -6.828 -2.534 1.00 0.00 C ATOM 668 C VAL A 44 -5.533 -7.557 -2.682 1.00 0.00 C ATOM 669 O VAL A 44 -5.481 -8.783 -2.570 1.00 0.00 O ATOM 670 CB VAL A 44 -7.742 -6.974 -3.797 1.00 0.00 C ATOM 671 CG1 VAL A 44 -9.146 -6.397 -3.558 1.00 0.00 C ATOM 672 CG2 VAL A 44 -7.144 -6.387 -5.088 1.00 0.00 C ATOM 0 H VAL A 44 -6.866 -4.790 -3.004 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.381 -7.307 -1.697 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.791 -8.049 -3.970 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.744 -6.510 -4.462 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.624 -6.932 -2.737 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.067 -5.340 -3.305 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.837 -6.545 -5.914 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.973 -5.319 -4.957 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.198 -6.882 -5.308 1.00 0.00 H new ATOM 682 N ALA A 45 -4.441 -6.832 -2.942 1.00 0.00 N ATOM 683 CA ALA A 45 -3.115 -7.433 -3.046 1.00 0.00 C ATOM 684 C ALA A 45 -2.639 -7.904 -1.671 1.00 0.00 C ATOM 685 O ALA A 45 -1.975 -8.936 -1.565 1.00 0.00 O ATOM 686 CB ALA A 45 -2.128 -6.423 -3.644 1.00 0.00 C ATOM 0 H ALA A 45 -4.454 -5.822 -3.085 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.168 -8.299 -3.705 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.141 -6.879 -3.718 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.467 -6.127 -4.637 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.074 -5.544 -3.002 1.00 0.00 H new ATOM 692 N ILE A 46 -2.951 -7.133 -0.627 1.00 0.00 N ATOM 693 CA ILE A 46 -2.580 -7.417 0.754 1.00 0.00 C ATOM 694 C ILE A 46 -3.292 -8.698 1.194 1.00 0.00 C ATOM 695 O ILE A 46 -4.461 -8.906 0.856 1.00 0.00 O ATOM 696 CB ILE A 46 -2.967 -6.205 1.631 1.00 0.00 C ATOM 697 CG1 ILE A 46 -2.125 -4.970 1.255 1.00 0.00 C ATOM 698 CG2 ILE A 46 -2.743 -6.494 3.116 1.00 0.00 C ATOM 699 CD1 ILE A 46 -2.778 -3.641 1.629 1.00 0.00 C ATOM 0 H ILE A 46 -3.484 -6.269 -0.726 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.506 -7.574 0.856 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.025 -6.012 1.452 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.155 -5.039 1.748 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.938 -4.983 0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.025 -5.620 3.703 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.353 -7.346 3.417 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.691 -6.722 3.288 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.126 -2.819 1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.735 -3.548 1.115 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.940 -3.606 2.706 1.00 0.00 H new ATOM 711 N LYS A 47 -2.628 -9.529 2.002 1.00 0.00 N ATOM 712 CA LYS A 47 -3.195 -10.765 2.536 1.00 0.00 C ATOM 713 C LYS A 47 -2.937 -10.863 4.035 1.00 0.00 C ATOM 714 O LYS A 47 -2.164 -10.092 4.607 1.00 0.00 O ATOM 715 CB LYS A 47 -2.638 -11.979 1.765 1.00 0.00 C ATOM 716 CG LYS A 47 -2.968 -11.973 0.259 1.00 0.00 C ATOM 717 CD LYS A 47 -4.470 -12.097 -0.038 1.00 0.00 C ATOM 718 CE LYS A 47 -4.743 -11.962 -1.540 1.00 0.00 C ATOM 719 NZ LYS A 47 -6.142 -12.302 -1.878 1.00 0.00 N ATOM 0 H LYS A 47 -1.670 -9.358 2.306 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.276 -10.759 2.397 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.555 -12.009 1.889 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.035 -12.892 2.209 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.593 -11.050 -0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.441 -12.796 -0.224 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.837 -13.060 0.317 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.017 -11.327 0.506 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.530 -10.941 -1.857 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.067 -12.615 -2.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.189 -12.644 -2.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.483 -13.045 -1.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.739 -11.456 -1.777 1.00 0.00 H new ATOM 733 N LYS A 48 -3.671 -11.753 4.696 1.00 0.00 N ATOM 734 CA LYS A 48 -3.614 -12.048 6.123 1.00 0.00 C ATOM 735 C LYS A 48 -2.528 -13.102 6.382 1.00 0.00 C ATOM 736 O LYS A 48 -2.054 -13.719 5.426 1.00 0.00 O ATOM 737 CB LYS A 48 -4.987 -12.588 6.562 1.00 0.00 C ATOM 738 CG LYS A 48 -6.106 -11.547 6.519 1.00 0.00 C ATOM 739 CD LYS A 48 -7.427 -12.066 7.110 1.00 0.00 C ATOM 740 CE LYS A 48 -8.341 -10.957 7.646 1.00 0.00 C ATOM 741 NZ LYS A 48 -7.781 -10.293 8.844 1.00 0.00 N ATOM 0 H LYS A 48 -4.367 -12.325 4.217 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.373 -11.148 6.689 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.259 -13.426 5.920 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.906 -12.977 7.577 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.792 -10.660 7.068 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.271 -11.241 5.486 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.962 -12.627 6.344 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.204 -12.763 7.918 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.503 -10.214 6.865 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.315 -11.380 7.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.526 -9.741 9.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.416 -11.012 9.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.007 -9.659 8.560 1.00 0.00 H new ATOM 755 N PRO A 49 -2.155 -13.375 7.645 1.00 0.00 N ATOM 756 CA PRO A 49 -1.072 -14.298 7.978 1.00 0.00 C ATOM 757 C PRO A 49 -1.243 -15.764 7.537 1.00 0.00 C ATOM 758 O PRO A 49 -0.237 -16.475 7.538 1.00 0.00 O ATOM 759 CB PRO A 49 -0.886 -14.181 9.495 1.00 0.00 C ATOM 760 CG PRO A 49 -1.367 -12.764 9.791 1.00 0.00 C ATOM 761 CD PRO A 49 -2.553 -12.646 8.842 1.00 0.00 C ATOM 0 HA PRO A 49 -0.192 -14.004 7.405 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.472 -14.927 10.032 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.155 -14.323 9.786 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.661 -12.639 10.833 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.600 -12.018 9.584 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.454 -13.073 9.282 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.773 -11.603 8.614 1.00 0.00 H new ATOM 769 N SER A 50 -2.433 -16.239 7.143 1.00 0.00 N ATOM 770 CA SER A 50 -2.620 -17.548 6.498 1.00 0.00 C ATOM 771 C SER A 50 -2.949 -17.416 5.000 1.00 0.00 C ATOM 772 O SER A 50 -3.206 -18.422 4.339 1.00 0.00 O ATOM 773 CB SER A 50 -3.705 -18.357 7.223 1.00 0.00 C ATOM 774 OG SER A 50 -3.405 -18.538 8.591 1.00 0.00 O ATOM 0 H SER A 50 -3.303 -15.720 7.264 1.00 0.00 H new ATOM 0 HA SER A 50 -1.673 -18.083 6.573 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.663 -17.846 7.127 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.813 -19.330 6.744 1.00 0.00 H new ATOM 0 HG SER A 50 -4.120 -19.056 9.017 1.00 0.00 H new ATOM 780 N GLY A 51 -2.934 -16.202 4.445 1.00 0.00 N ATOM 781 CA GLY A 51 -3.150 -15.923 3.030 1.00 0.00 C ATOM 782 C GLY A 51 -4.588 -15.534 2.695 1.00 0.00 C ATOM 783 O GLY A 51 -4.908 -15.380 1.519 1.00 0.00 O ATOM 0 H GLY A 51 -2.765 -15.358 4.992 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.484 -15.118 2.721 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.876 -16.804 2.449 1.00 0.00 H new ATOM 787 N ASP A 52 -5.459 -15.357 3.691 1.00 0.00 N ATOM 788 CA ASP A 52 -6.819 -14.850 3.476 1.00 0.00 C ATOM 789 C ASP A 52 -6.766 -13.370 3.068 1.00 0.00 C ATOM 790 O ASP A 52 -5.724 -12.725 3.181 1.00 0.00 O ATOM 791 CB ASP A 52 -7.661 -15.008 4.748 1.00 0.00 C ATOM 792 CG ASP A 52 -7.823 -16.455 5.183 1.00 0.00 C ATOM 793 OD1 ASP A 52 -8.533 -17.221 4.501 1.00 0.00 O ATOM 794 OD2 ASP A 52 -7.201 -16.854 6.198 1.00 0.00 O ATOM 0 H ASP A 52 -5.244 -15.560 4.667 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.283 -15.429 2.677 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.197 -14.442 5.556 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.646 -14.573 4.580 1.00 0.00 H new ATOM 799 N ASP A 53 -7.879 -12.786 2.626 1.00 0.00 N ATOM 800 CA ASP A 53 -7.952 -11.365 2.276 1.00 0.00 C ATOM 801 C ASP A 53 -8.136 -10.533 3.548 1.00 0.00 C ATOM 802 O ASP A 53 -9.042 -10.790 4.346 1.00 0.00 O ATOM 803 CB ASP A 53 -9.095 -11.111 1.285 1.00 0.00 C ATOM 804 CG ASP A 53 -8.653 -11.414 -0.145 1.00 0.00 C ATOM 805 OD1 ASP A 53 -8.047 -10.538 -0.802 1.00 0.00 O ATOM 806 OD2 ASP A 53 -8.855 -12.546 -0.629 1.00 0.00 O ATOM 0 H ASP A 53 -8.759 -13.285 2.500 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.021 -11.067 1.793 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.952 -11.733 1.545 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.421 -10.073 1.357 1.00 0.00 H new ATOM 811 N ARG A 54 -7.269 -9.537 3.775 1.00 0.00 N ATOM 812 CA ARG A 54 -7.431 -8.544 4.837 1.00 0.00 C ATOM 813 C ARG A 54 -8.706 -7.736 4.632 1.00 0.00 C ATOM 814 O ARG A 54 -9.471 -7.574 5.583 1.00 0.00 O ATOM 815 CB ARG A 54 -6.192 -7.625 4.951 1.00 0.00 C ATOM 816 CG ARG A 54 -5.090 -8.323 5.749 1.00 0.00 C ATOM 817 CD ARG A 54 -3.993 -7.396 6.265 1.00 0.00 C ATOM 818 NE ARG A 54 -2.907 -8.155 6.908 1.00 0.00 N ATOM 819 CZ ARG A 54 -2.834 -8.492 8.200 1.00 0.00 C ATOM 820 NH1 ARG A 54 -3.857 -8.262 9.011 1.00 0.00 N ATOM 821 NH2 ARG A 54 -1.729 -9.032 8.693 1.00 0.00 N ATOM 0 H ARG A 54 -6.426 -9.400 3.217 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.521 -9.079 5.782 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.826 -7.371 3.956 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.467 -6.690 5.438 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.543 -8.835 6.598 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.634 -9.089 5.121 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.590 -6.811 5.438 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.417 -6.690 6.978 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.136 -8.452 6.310 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.706 -7.826 8.650 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.796 -8.521 9.996 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.926 -9.194 8.086 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.682 -9.286 9.680 1.00 0.00 H new ATOM 835 N TYR A 55 -8.938 -7.225 3.423 1.00 0.00 N ATOM 836 CA TYR A 55 -9.941 -6.196 3.177 1.00 0.00 C ATOM 837 C TYR A 55 -10.887 -6.676 2.086 1.00 0.00 C ATOM 838 O TYR A 55 -10.799 -6.258 0.931 1.00 0.00 O ATOM 839 CB TYR A 55 -9.259 -4.855 2.855 1.00 0.00 C ATOM 840 CG TYR A 55 -8.150 -4.483 3.823 1.00 0.00 C ATOM 841 CD1 TYR A 55 -8.405 -4.391 5.207 1.00 0.00 C ATOM 842 CD2 TYR A 55 -6.840 -4.310 3.338 1.00 0.00 C ATOM 843 CE1 TYR A 55 -7.348 -4.169 6.105 1.00 0.00 C ATOM 844 CE2 TYR A 55 -5.786 -4.050 4.226 1.00 0.00 C ATOM 845 CZ TYR A 55 -6.034 -4.000 5.614 1.00 0.00 C ATOM 846 OH TYR A 55 -5.008 -3.789 6.472 1.00 0.00 O ATOM 0 H TYR A 55 -8.433 -7.516 2.586 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.541 -6.020 4.069 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.848 -4.900 1.846 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.011 -4.066 2.858 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.415 -4.491 5.577 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.646 -4.378 2.278 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.539 -4.128 7.167 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.787 -3.888 3.848 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.173 -3.695 5.967 1.00 0.00 H new ATOM 856 N ASN A 56 -11.812 -7.563 2.465 1.00 0.00 N ATOM 857 CA ASN A 56 -12.885 -7.997 1.572 1.00 0.00 C ATOM 858 C ASN A 56 -13.788 -6.818 1.208 1.00 0.00 C ATOM 859 O ASN A 56 -13.679 -5.724 1.773 1.00 0.00 O ATOM 860 CB ASN A 56 -13.768 -9.070 2.222 1.00 0.00 C ATOM 861 CG ASN A 56 -13.030 -10.351 2.575 1.00 0.00 C ATOM 862 OD1 ASN A 56 -12.872 -10.642 3.756 1.00 0.00 O ATOM 863 ND2 ASN A 56 -12.596 -11.129 1.601 1.00 0.00 N ATOM 0 H ASN A 56 -11.837 -7.995 3.389 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.403 -8.408 0.685 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.214 -8.659 3.128 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.587 -9.310 1.544 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -12.114 -12.000 1.821 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.743 -10.859 0.628 1.00 0.00 H new ATOM 870 N GLN A 57 -14.780 -7.076 0.350 1.00 0.00 N ATOM 871 CA GLN A 57 -15.672 -6.058 -0.174 1.00 0.00 C ATOM 872 C GLN A 57 -16.342 -5.198 0.903 1.00 0.00 C ATOM 873 O GLN A 57 -16.579 -4.016 0.679 1.00 0.00 O ATOM 874 CB GLN A 57 -16.757 -6.670 -1.060 1.00 0.00 C ATOM 875 CG GLN A 57 -16.251 -7.225 -2.394 1.00 0.00 C ATOM 876 CD GLN A 57 -17.403 -7.302 -3.392 1.00 0.00 C ATOM 877 OE1 GLN A 57 -18.473 -7.829 -3.084 1.00 0.00 O ATOM 878 NE2 GLN A 57 -17.232 -6.765 -4.585 1.00 0.00 N ATOM 0 H GLN A 57 -14.982 -8.013 0.000 1.00 0.00 H new ATOM 0 HA GLN A 57 -15.027 -5.403 -0.760 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -17.247 -7.473 -0.510 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -17.515 -5.912 -1.260 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -15.459 -6.587 -2.787 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -15.819 -8.215 -2.246 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -16.341 -6.332 -4.826 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -17.991 -6.783 -5.266 1.00 0.00 H new ATOM 887 N PHE A 58 -16.613 -5.761 2.080 1.00 0.00 N ATOM 888 CA PHE A 58 -17.214 -5.064 3.214 1.00 0.00 C ATOM 889 C PHE A 58 -16.382 -3.845 3.665 1.00 0.00 C ATOM 890 O PHE A 58 -16.946 -2.855 4.143 1.00 0.00 O ATOM 891 CB PHE A 58 -17.384 -6.101 4.333 1.00 0.00 C ATOM 892 CG PHE A 58 -18.309 -5.732 5.477 1.00 0.00 C ATOM 893 CD1 PHE A 58 -19.647 -5.366 5.228 1.00 0.00 C ATOM 894 CD2 PHE A 58 -17.861 -5.857 6.805 1.00 0.00 C ATOM 895 CE1 PHE A 58 -20.517 -5.102 6.301 1.00 0.00 C ATOM 896 CE2 PHE A 58 -18.729 -5.586 7.877 1.00 0.00 C ATOM 897 CZ PHE A 58 -20.055 -5.200 7.624 1.00 0.00 C ATOM 0 H PHE A 58 -16.414 -6.742 2.275 1.00 0.00 H new ATOM 0 HA PHE A 58 -18.181 -4.646 2.932 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -17.750 -7.025 3.886 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -16.400 -6.316 4.749 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -20.005 -5.288 4.212 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -16.844 -6.163 7.002 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -21.542 -4.823 6.107 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -18.376 -5.675 8.894 1.00 0.00 H new ATOM 0 HZ PHE A 58 -20.719 -4.979 8.446 1.00 0.00 H new ATOM 907 N HIS A 59 -15.057 -3.888 3.473 1.00 0.00 N ATOM 908 CA HIS A 59 -14.130 -2.785 3.691 1.00 0.00 C ATOM 909 C HIS A 59 -13.972 -1.936 2.428 1.00 0.00 C ATOM 910 O HIS A 59 -13.874 -0.717 2.522 1.00 0.00 O ATOM 911 CB HIS A 59 -12.766 -3.335 4.130 1.00 0.00 C ATOM 912 CG HIS A 59 -12.809 -3.930 5.511 1.00 0.00 C ATOM 913 ND1 HIS A 59 -12.800 -5.267 5.846 1.00 0.00 N ATOM 914 CD2 HIS A 59 -12.923 -3.211 6.669 1.00 0.00 C ATOM 915 CE1 HIS A 59 -12.892 -5.345 7.182 1.00 0.00 C ATOM 916 NE2 HIS A 59 -13.014 -4.122 7.725 1.00 0.00 N ATOM 0 H HIS A 59 -14.588 -4.733 3.147 1.00 0.00 H new ATOM 0 HA HIS A 59 -14.535 -2.147 4.476 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.437 -4.094 3.420 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.028 -2.533 4.105 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -12.940 -2.134 6.752 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -12.871 -6.266 7.745 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -13.147 -3.902 8.712 1.00 0.00 H new ATOM 924 N ILE A 60 -13.988 -2.538 1.235 1.00 0.00 N ATOM 925 CA ILE A 60 -13.939 -1.782 -0.018 1.00 0.00 C ATOM 926 C ILE A 60 -15.106 -0.796 -0.082 1.00 0.00 C ATOM 927 O ILE A 60 -14.890 0.374 -0.373 1.00 0.00 O ATOM 928 CB ILE A 60 -13.892 -2.736 -1.231 1.00 0.00 C ATOM 929 CG1 ILE A 60 -12.634 -3.635 -1.201 1.00 0.00 C ATOM 930 CG2 ILE A 60 -13.991 -2.001 -2.578 1.00 0.00 C ATOM 931 CD1 ILE A 60 -11.304 -2.870 -1.176 1.00 0.00 C ATOM 0 H ILE A 60 -14.035 -3.549 1.112 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.021 -1.196 -0.052 1.00 0.00 H new ATOM 0 HB ILE A 60 -14.775 -3.369 -1.144 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -12.684 -4.279 -0.323 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.648 -4.286 -2.075 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -13.952 -2.725 -3.391 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -14.932 -1.453 -2.625 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -13.159 -1.303 -2.674 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.477 -3.579 -1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.226 -2.247 -2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -11.263 -2.240 -0.288 1.00 0.00 H new ATOM 943 N ARG A 61 -16.326 -1.241 0.219 1.00 0.00 N ATOM 944 CA ARG A 61 -17.522 -0.403 0.217 1.00 0.00 C ATOM 945 C ARG A 61 -17.395 0.760 1.207 1.00 0.00 C ATOM 946 O ARG A 61 -17.899 1.846 0.927 1.00 0.00 O ATOM 947 CB ARG A 61 -18.728 -1.281 0.561 1.00 0.00 C ATOM 948 CG ARG A 61 -19.125 -2.203 -0.602 1.00 0.00 C ATOM 949 CD ARG A 61 -20.039 -1.532 -1.627 1.00 0.00 C ATOM 950 NE ARG A 61 -21.369 -1.261 -1.070 1.00 0.00 N ATOM 951 CZ ARG A 61 -22.508 -1.088 -1.742 1.00 0.00 C ATOM 952 NH1 ARG A 61 -22.517 -0.898 -3.055 1.00 0.00 N ATOM 953 NH2 ARG A 61 -23.635 -1.113 -1.051 1.00 0.00 N ATOM 0 H ARG A 61 -16.513 -2.211 0.475 1.00 0.00 H new ATOM 0 HA ARG A 61 -17.651 0.037 -0.772 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -18.497 -1.885 1.439 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -19.574 -0.646 0.824 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -18.222 -2.550 -1.104 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -19.626 -3.084 -0.202 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -19.587 -0.598 -1.962 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -20.135 -2.172 -2.504 1.00 0.00 H new ATOM 0 HE ARG A 61 -21.429 -1.198 -0.054 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -21.639 -0.882 -3.574 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -23.402 -0.768 -3.545 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -23.611 -1.261 -0.042 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -24.528 -0.985 -1.527 1.00 0.00 H new ATOM 967 N ARG A 62 -16.705 0.549 2.333 1.00 0.00 N ATOM 968 CA ARG A 62 -16.285 1.588 3.264 1.00 0.00 C ATOM 969 C ARG A 62 -15.415 2.608 2.545 1.00 0.00 C ATOM 970 O ARG A 62 -15.803 3.764 2.450 1.00 0.00 O ATOM 971 CB ARG A 62 -15.568 0.955 4.462 1.00 0.00 C ATOM 972 CG ARG A 62 -16.459 1.127 5.679 1.00 0.00 C ATOM 973 CD ARG A 62 -16.119 0.127 6.764 1.00 0.00 C ATOM 974 NE ARG A 62 -15.024 0.581 7.636 1.00 0.00 N ATOM 975 CZ ARG A 62 -14.678 0.024 8.802 1.00 0.00 C ATOM 976 NH1 ARG A 62 -15.191 -1.133 9.200 1.00 0.00 N ATOM 977 NH2 ARG A 62 -13.807 0.649 9.579 1.00 0.00 N ATOM 0 H ARG A 62 -16.416 -0.384 2.626 1.00 0.00 H new ATOM 0 HA ARG A 62 -17.157 2.117 3.647 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -15.374 -0.101 4.277 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -14.602 1.433 4.625 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -16.351 2.139 6.069 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -17.502 1.007 5.387 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -17.006 -0.060 7.370 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -15.841 -0.821 6.304 1.00 0.00 H new ATOM 0 HE ARG A 62 -14.483 1.388 7.325 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -15.867 -1.620 8.612 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.909 -1.535 10.094 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -13.410 1.542 9.285 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -13.533 0.238 10.471 1.00 0.00 H new ATOM 991 N PHE A 63 -14.253 2.198 2.030 1.00 0.00 N ATOM 992 CA PHE A 63 -13.317 3.098 1.355 1.00 0.00 C ATOM 993 C PHE A 63 -13.966 3.824 0.172 1.00 0.00 C ATOM 994 O PHE A 63 -13.640 4.979 -0.085 1.00 0.00 O ATOM 995 CB PHE A 63 -12.074 2.319 0.913 1.00 0.00 C ATOM 996 CG PHE A 63 -11.243 1.735 2.042 1.00 0.00 C ATOM 997 CD1 PHE A 63 -10.670 2.579 3.012 1.00 0.00 C ATOM 998 CD2 PHE A 63 -11.031 0.344 2.124 1.00 0.00 C ATOM 999 CE1 PHE A 63 -9.946 2.033 4.085 1.00 0.00 C ATOM 1000 CE2 PHE A 63 -10.287 -0.200 3.186 1.00 0.00 C ATOM 1001 CZ PHE A 63 -9.756 0.645 4.173 1.00 0.00 C ATOM 0 H PHE A 63 -13.935 1.230 2.070 1.00 0.00 H new ATOM 0 HA PHE A 63 -13.018 3.868 2.066 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -12.388 1.507 0.256 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.441 2.981 0.322 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -10.787 3.650 2.931 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -11.442 -0.308 1.367 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -9.535 2.682 4.844 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -10.124 -1.266 3.242 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.201 0.227 5.000 1.00 0.00 H new ATOM 1011 N GLU A 64 -14.914 3.185 -0.507 1.00 0.00 N ATOM 1012 CA GLU A 64 -15.779 3.825 -1.487 1.00 0.00 C ATOM 1013 C GLU A 64 -16.512 4.991 -0.831 1.00 0.00 C ATOM 1014 O GLU A 64 -16.300 6.117 -1.249 1.00 0.00 O ATOM 1015 CB GLU A 64 -16.764 2.837 -2.119 1.00 0.00 C ATOM 1016 CG GLU A 64 -16.111 1.891 -3.125 1.00 0.00 C ATOM 1017 CD GLU A 64 -17.071 0.868 -3.733 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -18.245 0.782 -3.301 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -16.635 0.139 -4.655 1.00 0.00 O ATOM 0 H GLU A 64 -15.104 2.190 -0.388 1.00 0.00 H new ATOM 0 HA GLU A 64 -15.157 4.202 -2.299 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -17.234 2.249 -1.331 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.557 3.394 -2.617 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.669 2.481 -3.928 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.296 1.361 -2.633 1.00 0.00 H new ATOM 1026 N ALA A 65 -17.334 4.774 0.202 1.00 0.00 N ATOM 1027 CA ALA A 65 -18.070 5.853 0.870 1.00 0.00 C ATOM 1028 C ALA A 65 -17.150 7.022 1.261 1.00 0.00 C ATOM 1029 O ALA A 65 -17.529 8.185 1.120 1.00 0.00 O ATOM 1030 CB ALA A 65 -18.797 5.299 2.100 1.00 0.00 C ATOM 0 H ALA A 65 -17.507 3.850 0.597 1.00 0.00 H new ATOM 0 HA ALA A 65 -18.802 6.248 0.166 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.342 6.104 2.593 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.497 4.523 1.790 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.070 4.876 2.793 1.00 0.00 H new ATOM 1036 N LEU A 66 -15.920 6.729 1.690 1.00 0.00 N ATOM 1037 CA LEU A 66 -14.898 7.732 1.979 1.00 0.00 C ATOM 1038 C LEU A 66 -14.604 8.560 0.726 1.00 0.00 C ATOM 1039 O LEU A 66 -14.798 9.772 0.753 1.00 0.00 O ATOM 1040 CB LEU A 66 -13.625 7.084 2.561 1.00 0.00 C ATOM 1041 CG LEU A 66 -13.906 6.228 3.811 1.00 0.00 C ATOM 1042 CD1 LEU A 66 -12.697 5.384 4.228 1.00 0.00 C ATOM 1043 CD2 LEU A 66 -14.376 7.100 4.980 1.00 0.00 C ATOM 0 H LEU A 66 -15.603 5.772 1.848 1.00 0.00 H new ATOM 0 HA LEU A 66 -15.278 8.409 2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.159 6.461 1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -12.909 7.866 2.815 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.705 5.538 3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.949 4.800 5.113 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.425 4.711 3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.856 6.040 4.453 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -14.567 6.471 5.849 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -13.604 7.830 5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.292 7.621 4.700 1.00 0.00 H new ATOM 1055 N LEU A 67 -14.189 7.931 -0.377 1.00 0.00 N ATOM 1056 CA LEU A 67 -13.863 8.622 -1.627 1.00 0.00 C ATOM 1057 C LEU A 67 -15.064 9.356 -2.220 1.00 0.00 C ATOM 1058 O LEU A 67 -14.905 10.414 -2.827 1.00 0.00 O ATOM 1059 CB LEU A 67 -13.186 7.641 -2.599 1.00 0.00 C ATOM 1060 CG LEU A 67 -14.053 6.870 -3.608 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -14.274 7.631 -4.912 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -13.376 5.545 -3.959 1.00 0.00 C ATOM 0 H LEU A 67 -14.069 6.919 -0.428 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.146 9.415 -1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -12.442 8.201 -3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -12.646 6.907 -2.001 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.020 6.720 -3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -14.893 7.034 -5.581 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -14.775 8.576 -4.701 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -13.312 7.828 -5.386 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -13.992 5.000 -4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.398 5.741 -4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.255 4.948 -3.055 1.00 0.00 H new ATOM 1074 N GLN A 68 -16.271 8.833 -2.013 1.00 0.00 N ATOM 1075 CA GLN A 68 -17.512 9.442 -2.462 1.00 0.00 C ATOM 1076 C GLN A 68 -17.759 10.732 -1.674 1.00 0.00 C ATOM 1077 O GLN A 68 -18.110 11.755 -2.253 1.00 0.00 O ATOM 1078 CB GLN A 68 -18.670 8.450 -2.285 1.00 0.00 C ATOM 1079 CG GLN A 68 -18.455 7.089 -2.978 1.00 0.00 C ATOM 1080 CD GLN A 68 -19.516 6.753 -4.011 1.00 0.00 C ATOM 1081 OE1 GLN A 68 -20.709 6.785 -3.709 1.00 0.00 O ATOM 1082 NE2 GLN A 68 -19.126 6.357 -5.210 1.00 0.00 N ATOM 0 H GLN A 68 -16.412 7.953 -1.516 1.00 0.00 H new ATOM 0 HA GLN A 68 -17.442 9.693 -3.520 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -18.828 8.281 -1.220 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.582 8.902 -2.674 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.478 7.088 -3.461 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -18.437 6.305 -2.221 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -18.133 6.337 -5.443 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -19.818 6.071 -5.903 1.00 0.00 H new ATOM 1091 N THR A 69 -17.526 10.721 -0.359 1.00 0.00 N ATOM 1092 CA THR A 69 -17.614 11.914 0.490 1.00 0.00 C ATOM 1093 C THR A 69 -16.365 12.804 0.378 1.00 0.00 C ATOM 1094 O THR A 69 -16.303 13.904 0.936 1.00 0.00 O ATOM 1095 CB THR A 69 -17.951 11.509 1.934 1.00 0.00 C ATOM 1096 OG1 THR A 69 -17.096 10.518 2.476 1.00 0.00 O ATOM 1097 CG2 THR A 69 -19.365 10.936 1.969 1.00 0.00 C ATOM 0 H THR A 69 -17.269 9.877 0.152 1.00 0.00 H new ATOM 0 HA THR A 69 -18.432 12.538 0.129 1.00 0.00 H new ATOM 0 HB THR A 69 -17.835 12.414 2.530 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.314 9.647 2.082 1.00 0.00 H new ATOM 0 HG21 THR A 69 -19.615 10.645 2.989 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.072 11.690 1.623 1.00 0.00 H new ATOM 0 HG23 THR A 69 -19.420 10.063 1.319 1.00 0.00 H new ATOM 1105 N GLY A 70 -15.372 12.356 -0.385 1.00 0.00 N ATOM 1106 CA GLY A 70 -14.162 13.093 -0.713 1.00 0.00 C ATOM 1107 C GLY A 70 -13.077 12.988 0.348 1.00 0.00 C ATOM 1108 O GLY A 70 -12.109 13.749 0.284 1.00 0.00 O ATOM 0 H GLY A 70 -15.393 11.428 -0.809 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.768 12.725 -1.661 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.415 14.143 -0.859 1.00 0.00 H new ATOM 1112 N LYS A 71 -13.217 12.102 1.337 1.00 0.00 N ATOM 1113 CA LYS A 71 -12.071 11.687 2.133 1.00 0.00 C ATOM 1114 C LYS A 71 -11.207 10.797 1.247 1.00 0.00 C ATOM 1115 O LYS A 71 -11.732 10.118 0.365 1.00 0.00 O ATOM 1116 CB LYS A 71 -12.537 10.936 3.383 1.00 0.00 C ATOM 1117 CG LYS A 71 -13.073 11.932 4.425 1.00 0.00 C ATOM 1118 CD LYS A 71 -13.403 11.306 5.791 1.00 0.00 C ATOM 1119 CE LYS A 71 -12.282 10.370 6.265 1.00 0.00 C ATOM 1120 NZ LYS A 71 -12.263 10.105 7.718 1.00 0.00 N ATOM 0 H LYS A 71 -14.101 11.666 1.599 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.498 12.549 2.473 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.315 10.220 3.118 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.709 10.366 3.805 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.335 12.721 4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.972 12.405 4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.555 12.095 6.527 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.338 10.750 5.722 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.376 9.420 5.739 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.323 10.801 5.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.552 9.375 7.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.023 10.979 8.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.200 9.773 8.023 1.00 0.00 H new ATOM 1134 N SER A 72 -9.895 10.762 1.453 1.00 0.00 N ATOM 1135 CA SER A 72 -9.056 9.903 0.631 1.00 0.00 C ATOM 1136 C SER A 72 -9.241 8.447 1.065 1.00 0.00 C ATOM 1137 O SER A 72 -8.983 8.139 2.233 1.00 0.00 O ATOM 1138 CB SER A 72 -7.599 10.327 0.734 1.00 0.00 C ATOM 1139 OG SER A 72 -6.810 9.590 -0.181 1.00 0.00 O ATOM 0 H SER A 72 -9.401 11.303 2.163 1.00 0.00 H new ATOM 0 HA SER A 72 -9.353 9.997 -0.414 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.507 11.393 0.528 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.237 10.166 1.749 1.00 0.00 H new ATOM 0 HG SER A 72 -5.861 9.753 0.000 1.00 0.00 H new ATOM 1145 N PRO A 73 -9.602 7.537 0.142 1.00 0.00 N ATOM 1146 CA PRO A 73 -9.611 6.112 0.426 1.00 0.00 C ATOM 1147 C PRO A 73 -8.185 5.632 0.668 1.00 0.00 C ATOM 1148 O PRO A 73 -7.977 4.808 1.549 1.00 0.00 O ATOM 1149 CB PRO A 73 -10.219 5.456 -0.815 1.00 0.00 C ATOM 1150 CG PRO A 73 -9.845 6.413 -1.948 1.00 0.00 C ATOM 1151 CD PRO A 73 -9.866 7.779 -1.272 1.00 0.00 C ATOM 0 HA PRO A 73 -10.184 5.863 1.319 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.812 4.459 -0.982 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.300 5.347 -0.722 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.863 6.183 -2.361 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.557 6.360 -2.771 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.111 8.438 -1.702 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.831 8.267 -1.410 1.00 0.00 H new ATOM 1159 N THR A 74 -7.202 6.166 -0.068 1.00 0.00 N ATOM 1160 CA THR A 74 -5.797 5.895 0.140 1.00 0.00 C ATOM 1161 C THR A 74 -5.426 6.200 1.588 1.00 0.00 C ATOM 1162 O THR A 74 -4.930 5.314 2.270 1.00 0.00 O ATOM 1163 CB THR A 74 -4.974 6.752 -0.831 1.00 0.00 C ATOM 1164 OG1 THR A 74 -5.508 6.720 -2.141 1.00 0.00 O ATOM 1165 CG2 THR A 74 -3.498 6.352 -0.836 1.00 0.00 C ATOM 0 H THR A 74 -7.378 6.811 -0.838 1.00 0.00 H new ATOM 0 HA THR A 74 -5.583 4.843 -0.052 1.00 0.00 H new ATOM 0 HB THR A 74 -5.037 7.779 -0.470 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.181 7.494 -2.646 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.952 6.984 -1.537 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.084 6.478 0.164 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.405 5.309 -1.139 1.00 0.00 H new ATOM 1173 N CYS A 75 -5.620 7.437 2.057 1.00 0.00 N ATOM 1174 CA CYS A 75 -5.105 7.837 3.361 1.00 0.00 C ATOM 1175 C CYS A 75 -5.673 6.941 4.449 1.00 0.00 C ATOM 1176 O CYS A 75 -4.923 6.514 5.315 1.00 0.00 O ATOM 1177 CB CYS A 75 -5.446 9.306 3.634 1.00 0.00 C ATOM 1178 SG CYS A 75 -4.643 9.880 5.156 1.00 0.00 S ATOM 0 H CYS A 75 -6.125 8.168 1.556 1.00 0.00 H new ATOM 0 HA CYS A 75 -4.020 7.729 3.361 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -5.125 9.921 2.793 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -6.526 9.424 3.720 1.00 0.00 H new ATOM 0 HG CYS A 75 -4.946 11.127 5.363 1.00 0.00 H new ATOM 1184 N GLU A 76 -6.970 6.663 4.395 1.00 0.00 N ATOM 1185 CA GLU A 76 -7.646 5.788 5.332 1.00 0.00 C ATOM 1186 C GLU A 76 -7.077 4.372 5.254 1.00 0.00 C ATOM 1187 O GLU A 76 -6.724 3.818 6.288 1.00 0.00 O ATOM 1188 CB GLU A 76 -9.134 5.783 4.942 1.00 0.00 C ATOM 1189 CG GLU A 76 -9.868 7.077 5.339 1.00 0.00 C ATOM 1190 CD GLU A 76 -10.364 7.106 6.786 1.00 0.00 C ATOM 1191 OE1 GLU A 76 -10.916 6.100 7.286 1.00 0.00 O ATOM 1192 OE2 GLU A 76 -10.248 8.180 7.423 1.00 0.00 O ATOM 0 H GLU A 76 -7.589 7.050 3.683 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.508 6.139 6.355 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.220 5.639 3.865 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.625 4.934 5.417 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.199 7.923 5.181 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.720 7.216 4.673 1.00 0.00 H new ATOM 1199 N LEU A 77 -6.983 3.790 4.055 1.00 0.00 N ATOM 1200 CA LEU A 77 -6.521 2.422 3.835 1.00 0.00 C ATOM 1201 C LEU A 77 -5.104 2.251 4.379 1.00 0.00 C ATOM 1202 O LEU A 77 -4.824 1.350 5.160 1.00 0.00 O ATOM 1203 CB LEU A 77 -6.584 2.121 2.323 1.00 0.00 C ATOM 1204 CG LEU A 77 -5.930 0.805 1.853 1.00 0.00 C ATOM 1205 CD1 LEU A 77 -6.740 -0.436 2.227 1.00 0.00 C ATOM 1206 CD2 LEU A 77 -5.764 0.853 0.332 1.00 0.00 C ATOM 0 H LEU A 77 -7.233 4.271 3.191 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.160 1.716 4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.631 2.108 2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.110 2.946 1.791 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.968 0.723 2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.226 -1.328 1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.845 -0.489 3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.728 -0.377 1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.302 -0.072 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.741 0.968 -0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.130 1.698 0.062 1.00 0.00 H new ATOM 1218 N LEU A 78 -4.193 3.120 3.949 1.00 0.00 N ATOM 1219 CA LEU A 78 -2.798 3.158 4.348 1.00 0.00 C ATOM 1220 C LEU A 78 -2.689 3.371 5.861 1.00 0.00 C ATOM 1221 O LEU A 78 -1.840 2.754 6.504 1.00 0.00 O ATOM 1222 CB LEU A 78 -2.090 4.291 3.576 1.00 0.00 C ATOM 1223 CG LEU A 78 -1.981 4.113 2.041 1.00 0.00 C ATOM 1224 CD1 LEU A 78 -0.925 5.082 1.504 1.00 0.00 C ATOM 1225 CD2 LEU A 78 -1.680 2.709 1.522 1.00 0.00 C ATOM 0 H LEU A 78 -4.425 3.853 3.278 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.316 2.210 4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.619 5.223 3.775 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.084 4.403 3.980 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.985 4.324 1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.840 4.965 0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.219 6.106 1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.037 4.866 1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.631 2.726 0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.725 2.370 1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.469 2.027 1.839 1.00 0.00 H new ATOM 1237 N PHE A 79 -3.497 4.263 6.442 1.00 0.00 N ATOM 1238 CA PHE A 79 -3.461 4.529 7.875 1.00 0.00 C ATOM 1239 C PHE A 79 -3.939 3.317 8.673 1.00 0.00 C ATOM 1240 O PHE A 79 -3.277 2.911 9.631 1.00 0.00 O ATOM 1241 CB PHE A 79 -4.270 5.786 8.232 1.00 0.00 C ATOM 1242 CG PHE A 79 -4.013 6.230 9.656 1.00 0.00 C ATOM 1243 CD1 PHE A 79 -2.742 6.717 10.024 1.00 0.00 C ATOM 1244 CD2 PHE A 79 -5.015 6.081 10.629 1.00 0.00 C ATOM 1245 CE1 PHE A 79 -2.464 7.019 11.369 1.00 0.00 C ATOM 1246 CE2 PHE A 79 -4.739 6.397 11.973 1.00 0.00 C ATOM 1247 CZ PHE A 79 -3.461 6.854 12.345 1.00 0.00 C ATOM 0 H PHE A 79 -4.188 4.815 5.933 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.423 4.719 8.149 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.011 6.593 7.547 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -5.333 5.585 8.100 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.980 6.858 9.271 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.995 5.725 10.347 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -1.485 7.377 11.651 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.511 6.288 12.721 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.247 7.078 13.380 1.00 0.00 H new ATOM 1257 N ASP A 80 -5.078 2.744 8.292 1.00 0.00 N ATOM 1258 CA ASP A 80 -5.691 1.603 8.956 1.00 0.00 C ATOM 1259 C ASP A 80 -4.794 0.378 8.828 1.00 0.00 C ATOM 1260 O ASP A 80 -4.551 -0.317 9.815 1.00 0.00 O ATOM 1261 CB ASP A 80 -7.071 1.318 8.359 1.00 0.00 C ATOM 1262 CG ASP A 80 -7.693 0.101 9.037 1.00 0.00 C ATOM 1263 OD1 ASP A 80 -8.304 0.260 10.118 1.00 0.00 O ATOM 1264 OD2 ASP A 80 -7.569 -1.029 8.507 1.00 0.00 O ATOM 0 H ASP A 80 -5.614 3.073 7.489 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.814 1.837 10.013 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.718 2.186 8.487 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.983 1.142 7.287 1.00 0.00 H new ATOM 1269 N TRP A 81 -4.237 0.124 7.642 1.00 0.00 N ATOM 1270 CA TRP A 81 -3.270 -0.945 7.432 1.00 0.00 C ATOM 1271 C TRP A 81 -2.058 -0.755 8.356 1.00 0.00 C ATOM 1272 O TRP A 81 -1.530 -1.729 8.885 1.00 0.00 O ATOM 1273 CB TRP A 81 -2.905 -1.024 5.937 1.00 0.00 C ATOM 1274 CG TRP A 81 -2.112 -2.217 5.479 1.00 0.00 C ATOM 1275 CD1 TRP A 81 -2.034 -3.438 6.062 1.00 0.00 C ATOM 1276 CD2 TRP A 81 -1.187 -2.271 4.359 1.00 0.00 C ATOM 1277 NE1 TRP A 81 -1.138 -4.233 5.375 1.00 0.00 N ATOM 1278 CE2 TRP A 81 -0.500 -3.521 4.384 1.00 0.00 C ATOM 1279 CE3 TRP A 81 -0.815 -1.346 3.368 1.00 0.00 C ATOM 1280 CZ2 TRP A 81 0.598 -3.781 3.555 1.00 0.00 C ATOM 1281 CZ3 TRP A 81 0.273 -1.609 2.518 1.00 0.00 C ATOM 1282 CH2 TRP A 81 0.999 -2.802 2.637 1.00 0.00 C ATOM 0 H TRP A 81 -4.448 0.659 6.799 1.00 0.00 H new ATOM 0 HA TRP A 81 -3.703 -1.909 7.700 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.831 -0.995 5.363 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.342 -0.127 5.680 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -2.591 -3.744 6.935 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -0.971 -5.219 5.575 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -1.370 -0.426 3.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 1.127 -4.720 3.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 0.552 -0.885 1.766 1.00 0.00 H new ATOM 0 HH2 TRP A 81 1.870 -2.967 2.019 1.00 0.00 H new ATOM 1293 N GLY A 82 -1.687 0.486 8.682 1.00 0.00 N ATOM 1294 CA GLY A 82 -0.635 0.797 9.641 1.00 0.00 C ATOM 1295 C GLY A 82 -0.883 0.228 11.040 1.00 0.00 C ATOM 1296 O GLY A 82 0.081 -0.009 11.768 1.00 0.00 O ATOM 0 H GLY A 82 -2.121 1.315 8.276 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.312 0.410 9.265 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.531 1.880 9.713 1.00 0.00 H new ATOM 1300 N THR A 83 -2.134 -0.021 11.429 1.00 0.00 N ATOM 1301 CA THR A 83 -2.473 -0.641 12.706 1.00 0.00 C ATOM 1302 C THR A 83 -2.222 -2.165 12.677 1.00 0.00 C ATOM 1303 O THR A 83 -2.268 -2.833 13.713 1.00 0.00 O ATOM 1304 CB THR A 83 -3.931 -0.255 13.044 1.00 0.00 C ATOM 1305 OG1 THR A 83 -4.043 0.162 14.385 1.00 0.00 O ATOM 1306 CG2 THR A 83 -4.977 -1.339 12.780 1.00 0.00 C ATOM 0 H THR A 83 -2.948 0.206 10.858 1.00 0.00 H new ATOM 0 HA THR A 83 -1.826 -0.273 13.502 1.00 0.00 H new ATOM 0 HB THR A 83 -4.152 0.560 12.355 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.974 0.403 14.576 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.965 -0.965 13.051 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.967 -1.605 11.723 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.746 -2.221 13.378 1.00 0.00 H new ATOM 1314 N THR A 84 -1.975 -2.741 11.505 1.00 0.00 N ATOM 1315 CA THR A 84 -1.958 -4.176 11.272 1.00 0.00 C ATOM 1316 C THR A 84 -0.524 -4.741 11.263 1.00 0.00 C ATOM 1317 O THR A 84 -0.359 -5.956 11.348 1.00 0.00 O ATOM 1318 CB THR A 84 -2.820 -4.414 10.011 1.00 0.00 C ATOM 1319 OG1 THR A 84 -4.126 -4.773 10.417 1.00 0.00 O ATOM 1320 CG2 THR A 84 -2.277 -5.422 9.010 1.00 0.00 C ATOM 0 H THR A 84 -1.774 -2.200 10.664 1.00 0.00 H new ATOM 0 HA THR A 84 -2.402 -4.750 12.085 1.00 0.00 H new ATOM 0 HB THR A 84 -2.809 -3.472 9.462 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.684 -4.925 9.626 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.965 -5.506 8.169 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.303 -5.090 8.651 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.174 -6.394 9.492 1.00 0.00 H new ATOM 1328 N ASN A 85 0.501 -3.877 11.287 1.00 0.00 N ATOM 1329 CA ASN A 85 1.933 -4.204 11.303 1.00 0.00 C ATOM 1330 C ASN A 85 2.370 -4.588 9.888 1.00 0.00 C ATOM 1331 O ASN A 85 2.548 -5.758 9.528 1.00 0.00 O ATOM 1332 CB ASN A 85 2.340 -5.225 12.386 1.00 0.00 C ATOM 1333 CG ASN A 85 1.873 -4.808 13.773 1.00 0.00 C ATOM 1334 OD1 ASN A 85 2.473 -3.954 14.418 1.00 0.00 O ATOM 1335 ND2 ASN A 85 0.781 -5.363 14.275 1.00 0.00 N ATOM 0 H ASN A 85 0.342 -2.870 11.296 1.00 0.00 H new ATOM 0 HA ASN A 85 2.483 -3.313 11.605 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.919 -6.200 12.140 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.424 -5.337 12.388 1.00 0.00 H new ATOM 0 HD21 ASN A 85 0.442 -5.080 15.194 1.00 0.00 H new ATOM 0 HD22 ASN A 85 0.279 -6.073 13.742 1.00 0.00 H new ATOM 1342 N CYS A 86 2.467 -3.558 9.052 1.00 0.00 N ATOM 1343 CA CYS A 86 3.073 -3.523 7.731 1.00 0.00 C ATOM 1344 C CYS A 86 3.943 -2.268 7.663 1.00 0.00 C ATOM 1345 O CYS A 86 3.792 -1.367 8.500 1.00 0.00 O ATOM 1346 CB CYS A 86 1.970 -3.474 6.676 1.00 0.00 C ATOM 1347 SG CYS A 86 0.858 -2.109 7.068 1.00 0.00 S ATOM 0 H CYS A 86 2.088 -2.646 9.308 1.00 0.00 H new ATOM 0 HA CYS A 86 3.682 -4.408 7.546 1.00 0.00 H new ATOM 0 HB2 CYS A 86 2.401 -3.338 5.684 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.421 -4.416 6.658 1.00 0.00 H new ATOM 0 HG CYS A 86 -0.257 -2.257 6.416 1.00 0.00 H new ATOM 1353 N THR A 87 4.845 -2.190 6.685 1.00 0.00 N ATOM 1354 CA THR A 87 5.776 -1.075 6.581 1.00 0.00 C ATOM 1355 C THR A 87 5.799 -0.469 5.172 1.00 0.00 C ATOM 1356 O THR A 87 5.096 -0.931 4.272 1.00 0.00 O ATOM 1357 CB THR A 87 7.156 -1.535 7.101 1.00 0.00 C ATOM 1358 OG1 THR A 87 7.774 -2.434 6.201 1.00 0.00 O ATOM 1359 CG2 THR A 87 7.110 -2.261 8.447 1.00 0.00 C ATOM 0 H THR A 87 4.948 -2.891 5.952 1.00 0.00 H new ATOM 0 HA THR A 87 5.444 -0.250 7.211 1.00 0.00 H new ATOM 0 HB THR A 87 7.713 -0.604 7.208 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.472 -1.965 5.698 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.120 -2.550 8.739 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.689 -1.599 9.203 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.489 -3.152 8.359 1.00 0.00 H new ATOM 1367 N VAL A 88 6.596 0.580 4.973 1.00 0.00 N ATOM 1368 CA VAL A 88 6.778 1.245 3.688 1.00 0.00 C ATOM 1369 C VAL A 88 7.217 0.240 2.620 1.00 0.00 C ATOM 1370 O VAL A 88 6.722 0.289 1.496 1.00 0.00 O ATOM 1371 CB VAL A 88 7.795 2.391 3.861 1.00 0.00 C ATOM 1372 CG1 VAL A 88 8.384 2.887 2.532 1.00 0.00 C ATOM 1373 CG2 VAL A 88 7.165 3.578 4.584 1.00 0.00 C ATOM 0 H VAL A 88 7.146 1.000 5.722 1.00 0.00 H new ATOM 0 HA VAL A 88 5.833 1.670 3.348 1.00 0.00 H new ATOM 0 HB VAL A 88 8.607 1.970 4.454 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.092 3.693 2.726 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.898 2.066 2.033 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.581 3.255 1.893 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.904 4.372 4.693 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.318 3.948 4.007 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.823 3.264 5.570 1.00 0.00 H new ATOM 1383 N GLY A 89 8.142 -0.656 2.974 1.00 0.00 N ATOM 1384 CA GLY A 89 8.640 -1.686 2.085 1.00 0.00 C ATOM 1385 C GLY A 89 7.505 -2.611 1.675 1.00 0.00 C ATOM 1386 O GLY A 89 7.419 -2.937 0.500 1.00 0.00 O ATOM 0 H GLY A 89 8.566 -0.679 3.901 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.087 -1.231 1.201 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.425 -2.257 2.580 1.00 0.00 H new ATOM 1390 N ASP A 90 6.621 -2.975 2.617 1.00 0.00 N ATOM 1391 CA ASP A 90 5.423 -3.781 2.334 1.00 0.00 C ATOM 1392 C ASP A 90 4.581 -3.074 1.264 1.00 0.00 C ATOM 1393 O ASP A 90 4.239 -3.668 0.244 1.00 0.00 O ATOM 1394 CB ASP A 90 4.605 -4.030 3.626 1.00 0.00 C ATOM 1395 CG ASP A 90 3.733 -5.291 3.642 1.00 0.00 C ATOM 1396 OD1 ASP A 90 3.530 -5.945 2.600 1.00 0.00 O ATOM 1397 OD2 ASP A 90 3.239 -5.639 4.745 1.00 0.00 O ATOM 0 H ASP A 90 6.717 -2.718 3.599 1.00 0.00 H new ATOM 0 HA ASP A 90 5.725 -4.757 1.955 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.298 -4.082 4.466 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.962 -3.166 3.796 1.00 0.00 H new ATOM 1402 N LEU A 91 4.284 -1.778 1.465 1.00 0.00 N ATOM 1403 CA LEU A 91 3.497 -0.989 0.520 1.00 0.00 C ATOM 1404 C LEU A 91 4.131 -0.999 -0.865 1.00 0.00 C ATOM 1405 O LEU A 91 3.444 -1.360 -1.813 1.00 0.00 O ATOM 1406 CB LEU A 91 3.250 0.446 1.027 1.00 0.00 C ATOM 1407 CG LEU A 91 2.577 1.367 -0.014 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.230 0.850 -0.531 1.00 0.00 C ATOM 1409 CD2 LEU A 91 2.335 2.767 0.559 1.00 0.00 C ATOM 0 H LEU A 91 4.585 -1.255 2.287 1.00 0.00 H new ATOM 0 HA LEU A 91 2.518 -1.462 0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.625 0.404 1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.202 0.885 1.325 1.00 0.00 H new ATOM 0 HG LEU A 91 3.281 1.390 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.824 1.554 -1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.371 -0.121 -1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.535 0.748 0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.860 3.392 -0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.685 2.696 1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.287 3.210 0.851 1.00 0.00 H new ATOM 1421 N VAL A 92 5.395 -0.590 -0.995 1.00 0.00 N ATOM 1422 CA VAL A 92 6.131 -0.630 -2.254 1.00 0.00 C ATOM 1423 C VAL A 92 5.961 -1.996 -2.914 1.00 0.00 C ATOM 1424 O VAL A 92 5.627 -2.055 -4.093 1.00 0.00 O ATOM 1425 CB VAL A 92 7.609 -0.288 -1.981 1.00 0.00 C ATOM 1426 CG1 VAL A 92 8.590 -0.842 -3.018 1.00 0.00 C ATOM 1427 CG2 VAL A 92 7.796 1.212 -1.791 1.00 0.00 C ATOM 0 H VAL A 92 5.940 -0.218 -0.217 1.00 0.00 H new ATOM 0 HA VAL A 92 5.738 0.110 -2.951 1.00 0.00 H new ATOM 0 HB VAL A 92 7.858 -0.799 -1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 92 9.606 -0.554 -2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.516 -1.929 -3.045 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.347 -0.438 -4.001 1.00 0.00 H new ATOM 0 HG21 VAL A 92 8.848 1.426 -1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.477 1.735 -2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.197 1.549 -0.945 1.00 0.00 H new ATOM 1437 N ASP A 93 6.182 -3.075 -2.170 1.00 0.00 N ATOM 1438 CA ASP A 93 6.209 -4.430 -2.705 1.00 0.00 C ATOM 1439 C ASP A 93 4.909 -4.744 -3.446 1.00 0.00 C ATOM 1440 O ASP A 93 4.893 -5.177 -4.602 1.00 0.00 O ATOM 1441 CB ASP A 93 6.424 -5.434 -1.560 1.00 0.00 C ATOM 1442 CG ASP A 93 7.427 -6.528 -1.899 1.00 0.00 C ATOM 1443 OD1 ASP A 93 7.488 -6.976 -3.070 1.00 0.00 O ATOM 1444 OD2 ASP A 93 8.169 -6.967 -0.995 1.00 0.00 O ATOM 0 H ASP A 93 6.350 -3.031 -1.165 1.00 0.00 H new ATOM 0 HA ASP A 93 7.033 -4.511 -3.414 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.767 -4.898 -0.675 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.469 -5.893 -1.304 1.00 0.00 H new ATOM 1449 N LEU A 94 3.791 -4.495 -2.770 1.00 0.00 N ATOM 1450 CA LEU A 94 2.449 -4.702 -3.276 1.00 0.00 C ATOM 1451 C LEU A 94 2.124 -3.712 -4.386 1.00 0.00 C ATOM 1452 O LEU A 94 1.487 -4.097 -5.362 1.00 0.00 O ATOM 1453 CB LEU A 94 1.479 -4.532 -2.110 1.00 0.00 C ATOM 1454 CG LEU A 94 1.605 -5.680 -1.090 1.00 0.00 C ATOM 1455 CD1 LEU A 94 1.223 -5.154 0.279 1.00 0.00 C ATOM 1456 CD2 LEU A 94 0.695 -6.836 -1.471 1.00 0.00 C ATOM 0 H LEU A 94 3.802 -4.129 -1.818 1.00 0.00 H new ATOM 0 HA LEU A 94 2.364 -5.702 -3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.671 -3.581 -1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.458 -4.493 -2.489 1.00 0.00 H new ATOM 0 HG LEU A 94 2.632 -6.045 -1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.307 -5.955 1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.891 -4.338 0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.196 -4.790 0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.798 -7.637 -0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.340 -6.493 -1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.973 -7.208 -2.457 1.00 0.00 H new ATOM 1468 N LEU A 95 2.559 -2.455 -4.272 1.00 0.00 N ATOM 1469 CA LEU A 95 2.386 -1.459 -5.328 1.00 0.00 C ATOM 1470 C LEU A 95 3.019 -1.943 -6.628 1.00 0.00 C ATOM 1471 O LEU A 95 2.403 -1.823 -7.685 1.00 0.00 O ATOM 1472 CB LEU A 95 2.993 -0.102 -4.945 1.00 0.00 C ATOM 1473 CG LEU A 95 2.192 0.721 -3.937 1.00 0.00 C ATOM 1474 CD1 LEU A 95 2.998 1.980 -3.597 1.00 0.00 C ATOM 1475 CD2 LEU A 95 0.808 1.096 -4.465 1.00 0.00 C ATOM 0 H LEU A 95 3.040 -2.101 -3.445 1.00 0.00 H new ATOM 0 HA LEU A 95 1.313 -1.326 -5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.989 -0.272 -4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.117 0.489 -5.852 1.00 0.00 H new ATOM 0 HG LEU A 95 2.028 0.119 -3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.444 2.583 -2.878 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.958 1.693 -3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.166 2.560 -4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.278 1.680 -3.713 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.913 1.687 -5.375 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.244 0.189 -4.684 1.00 0.00 H new ATOM 1487 N VAL A 96 4.225 -2.505 -6.574 1.00 0.00 N ATOM 1488 CA VAL A 96 4.870 -3.058 -7.756 1.00 0.00 C ATOM 1489 C VAL A 96 4.054 -4.245 -8.296 1.00 0.00 C ATOM 1490 O VAL A 96 4.007 -4.427 -9.516 1.00 0.00 O ATOM 1491 CB VAL A 96 6.342 -3.405 -7.436 1.00 0.00 C ATOM 1492 CG1 VAL A 96 7.064 -4.009 -8.644 1.00 0.00 C ATOM 1493 CG2 VAL A 96 7.137 -2.145 -7.053 1.00 0.00 C ATOM 0 H VAL A 96 4.775 -2.588 -5.719 1.00 0.00 H new ATOM 0 HA VAL A 96 4.896 -2.319 -8.557 1.00 0.00 H new ATOM 0 HB VAL A 96 6.302 -4.120 -6.614 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.095 -4.238 -8.375 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.557 -4.924 -8.950 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.054 -3.296 -9.468 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.169 -2.419 -6.833 1.00 0.00 H new ATOM 0 HG22 VAL A 96 7.118 -1.437 -7.882 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.688 -1.685 -6.173 1.00 0.00 H new ATOM 1503 N GLN A 97 3.372 -5.026 -7.447 1.00 0.00 N ATOM 1504 CA GLN A 97 2.586 -6.167 -7.922 1.00 0.00 C ATOM 1505 C GLN A 97 1.390 -5.715 -8.769 1.00 0.00 C ATOM 1506 O GLN A 97 0.971 -6.445 -9.667 1.00 0.00 O ATOM 1507 CB GLN A 97 2.190 -7.113 -6.763 1.00 0.00 C ATOM 1508 CG GLN A 97 0.706 -7.150 -6.341 1.00 0.00 C ATOM 1509 CD GLN A 97 0.370 -8.397 -5.535 1.00 0.00 C ATOM 1510 OE1 GLN A 97 -0.571 -9.115 -5.862 1.00 0.00 O ATOM 1511 NE2 GLN A 97 1.128 -8.718 -4.506 1.00 0.00 N ATOM 0 H GLN A 97 3.350 -4.888 -6.437 1.00 0.00 H new ATOM 0 HA GLN A 97 3.221 -6.755 -8.585 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.485 -8.125 -7.041 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.780 -6.838 -5.889 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.476 -6.264 -5.750 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.076 -7.113 -7.230 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.908 -8.117 -4.240 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.935 -9.568 -3.976 1.00 0.00 H new ATOM 1520 N ILE A 98 0.832 -4.536 -8.481 1.00 0.00 N ATOM 1521 CA ILE A 98 -0.314 -3.960 -9.188 1.00 0.00 C ATOM 1522 C ILE A 98 0.140 -2.956 -10.267 1.00 0.00 C ATOM 1523 O ILE A 98 -0.674 -2.164 -10.738 1.00 0.00 O ATOM 1524 CB ILE A 98 -1.329 -3.370 -8.184 1.00 0.00 C ATOM 1525 CG1 ILE A 98 -0.701 -2.230 -7.366 1.00 0.00 C ATOM 1526 CG2 ILE A 98 -1.896 -4.458 -7.249 1.00 0.00 C ATOM 1527 CD1 ILE A 98 -1.729 -1.359 -6.657 1.00 0.00 C ATOM 0 H ILE A 98 1.175 -3.939 -7.728 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.835 -4.753 -9.725 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.157 -2.960 -8.763 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -0.023 -2.654 -6.626 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.101 -1.606 -8.028 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.607 -4.008 -6.556 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -2.401 -5.220 -7.842 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.082 -4.916 -6.687 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.218 -0.575 -6.099 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.393 -0.906 -7.394 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.313 -1.972 -5.970 1.00 0.00 H new ATOM 1539 N GLU A 99 1.429 -2.969 -10.633 1.00 0.00 N ATOM 1540 CA GLU A 99 2.075 -2.097 -11.616 1.00 0.00 C ATOM 1541 C GLU A 99 2.045 -0.606 -11.260 1.00 0.00 C ATOM 1542 O GLU A 99 2.271 0.255 -12.117 1.00 0.00 O ATOM 1543 CB GLU A 99 1.559 -2.351 -13.039 1.00 0.00 C ATOM 1544 CG GLU A 99 1.814 -3.786 -13.512 1.00 0.00 C ATOM 1545 CD GLU A 99 1.706 -3.911 -15.033 1.00 0.00 C ATOM 1546 OE1 GLU A 99 0.918 -3.183 -15.679 1.00 0.00 O ATOM 1547 OE2 GLU A 99 2.413 -4.755 -15.628 1.00 0.00 O ATOM 0 H GLU A 99 2.087 -3.631 -10.223 1.00 0.00 H new ATOM 0 HA GLU A 99 3.128 -2.376 -11.585 1.00 0.00 H new ATOM 0 HB2 GLU A 99 0.489 -2.145 -13.075 1.00 0.00 H new ATOM 0 HB3 GLU A 99 2.041 -1.655 -13.726 1.00 0.00 H new ATOM 0 HG2 GLU A 99 2.806 -4.104 -13.191 1.00 0.00 H new ATOM 0 HG3 GLU A 99 1.096 -4.457 -13.040 1.00 0.00 H new ATOM 1554 N LEU A 100 1.800 -0.264 -9.996 1.00 0.00 N ATOM 1555 CA LEU A 100 1.762 1.126 -9.555 1.00 0.00 C ATOM 1556 C LEU A 100 3.183 1.560 -9.196 1.00 0.00 C ATOM 1557 O LEU A 100 3.542 1.807 -8.041 1.00 0.00 O ATOM 1558 CB LEU A 100 0.751 1.342 -8.416 1.00 0.00 C ATOM 1559 CG LEU A 100 -0.642 1.856 -8.838 1.00 0.00 C ATOM 1560 CD1 LEU A 100 -0.573 3.258 -9.457 1.00 0.00 C ATOM 1561 CD2 LEU A 100 -1.386 0.921 -9.796 1.00 0.00 C ATOM 0 H LEU A 100 1.623 -0.940 -9.253 1.00 0.00 H new ATOM 0 HA LEU A 100 1.403 1.762 -10.364 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.623 0.398 -7.886 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.179 2.050 -7.707 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.210 1.892 -7.908 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.575 3.581 -9.740 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.158 3.957 -8.730 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.063 3.234 -10.342 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.356 1.352 -10.045 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.801 0.793 -10.707 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.532 -0.048 -9.319 1.00 0.00 H new ATOM 1573 N PHE A 101 4.023 1.628 -10.219 1.00 0.00 N ATOM 1574 CA PHE A 101 5.436 1.876 -10.064 1.00 0.00 C ATOM 1575 C PHE A 101 5.693 3.308 -9.599 1.00 0.00 C ATOM 1576 O PHE A 101 6.491 3.492 -8.694 1.00 0.00 O ATOM 1577 CB PHE A 101 6.178 1.560 -11.372 1.00 0.00 C ATOM 1578 CG PHE A 101 5.898 0.193 -11.982 1.00 0.00 C ATOM 1579 CD1 PHE A 101 5.966 -0.982 -11.203 1.00 0.00 C ATOM 1580 CD2 PHE A 101 5.555 0.098 -13.345 1.00 0.00 C ATOM 1581 CE1 PHE A 101 5.673 -2.230 -11.785 1.00 0.00 C ATOM 1582 CE2 PHE A 101 5.284 -1.153 -13.926 1.00 0.00 C ATOM 1583 CZ PHE A 101 5.345 -2.318 -13.147 1.00 0.00 C ATOM 0 H PHE A 101 3.732 1.510 -11.189 1.00 0.00 H new ATOM 0 HA PHE A 101 5.824 1.214 -9.290 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.921 2.324 -12.106 1.00 0.00 H new ATOM 0 HB3 PHE A 101 7.249 1.642 -11.188 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.243 -0.924 -10.161 1.00 0.00 H new ATOM 0 HD2 PHE A 101 5.500 0.992 -13.948 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.701 -3.124 -11.180 1.00 0.00 H new ATOM 0 HE2 PHE A 101 5.029 -1.217 -14.973 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.140 -3.280 -13.594 1.00 0.00 H new ATOM 1593 N ALA A 102 4.999 4.317 -10.135 1.00 0.00 N ATOM 1594 CA ALA A 102 5.181 5.722 -9.764 1.00 0.00 C ATOM 1595 C ALA A 102 5.155 5.945 -8.238 1.00 0.00 C ATOM 1596 O ALA A 102 6.127 6.500 -7.716 1.00 0.00 O ATOM 1597 CB ALA A 102 4.180 6.619 -10.506 1.00 0.00 C ATOM 0 H ALA A 102 4.285 4.177 -10.849 1.00 0.00 H new ATOM 0 HA ALA A 102 6.182 6.013 -10.083 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.336 7.657 -10.213 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.329 6.519 -11.581 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.164 6.319 -10.251 1.00 0.00 H new ATOM 1603 N PRO A 103 4.109 5.526 -7.494 1.00 0.00 N ATOM 1604 CA PRO A 103 4.083 5.654 -6.042 1.00 0.00 C ATOM 1605 C PRO A 103 5.121 4.759 -5.343 1.00 0.00 C ATOM 1606 O PRO A 103 5.709 5.209 -4.360 1.00 0.00 O ATOM 1607 CB PRO A 103 2.655 5.336 -5.596 1.00 0.00 C ATOM 1608 CG PRO A 103 2.082 4.542 -6.757 1.00 0.00 C ATOM 1609 CD PRO A 103 2.823 5.057 -7.977 1.00 0.00 C ATOM 0 HA PRO A 103 4.362 6.667 -5.753 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.644 4.758 -4.672 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.082 6.245 -5.411 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.239 3.472 -6.621 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.007 4.697 -6.851 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.949 4.269 -8.719 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.269 5.863 -8.459 1.00 0.00 H new ATOM 1617 N ALA A 104 5.386 3.539 -5.834 1.00 0.00 N ATOM 1618 CA ALA A 104 6.460 2.672 -5.335 1.00 0.00 C ATOM 1619 C ALA A 104 7.790 3.442 -5.408 1.00 0.00 C ATOM 1620 O ALA A 104 8.521 3.488 -4.427 1.00 0.00 O ATOM 1621 CB ALA A 104 6.493 1.378 -6.162 1.00 0.00 C ATOM 0 H ALA A 104 4.853 3.123 -6.598 1.00 0.00 H new ATOM 0 HA ALA A 104 6.287 2.393 -4.296 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.290 0.731 -5.794 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.537 0.863 -6.071 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.676 1.620 -7.209 1.00 0.00 H new ATOM 1627 N THR A 105 8.086 4.123 -6.518 1.00 0.00 N ATOM 1628 CA THR A 105 9.324 4.860 -6.723 1.00 0.00 C ATOM 1629 C THR A 105 9.352 6.130 -5.851 1.00 0.00 C ATOM 1630 O THR A 105 10.418 6.568 -5.414 1.00 0.00 O ATOM 1631 CB THR A 105 9.401 5.276 -8.208 1.00 0.00 C ATOM 1632 OG1 THR A 105 9.224 4.233 -9.141 1.00 0.00 O ATOM 1633 CG2 THR A 105 10.672 6.008 -8.608 1.00 0.00 C ATOM 0 H THR A 105 7.452 4.175 -7.315 1.00 0.00 H new ATOM 0 HA THR A 105 10.168 4.227 -6.448 1.00 0.00 H new ATOM 0 HB THR A 105 8.550 5.955 -8.256 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.303 3.902 -9.090 1.00 0.00 H new ATOM 0 HG21 THR A 105 10.630 6.257 -9.668 1.00 0.00 H new ATOM 0 HG22 THR A 105 10.764 6.924 -8.024 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.535 5.369 -8.419 1.00 0.00 H new ATOM 1641 N LEU A 106 8.198 6.770 -5.629 1.00 0.00 N ATOM 1642 CA LEU A 106 8.081 7.970 -4.798 1.00 0.00 C ATOM 1643 C LEU A 106 8.383 7.634 -3.336 1.00 0.00 C ATOM 1644 O LEU A 106 8.901 8.465 -2.583 1.00 0.00 O ATOM 1645 CB LEU A 106 6.657 8.537 -4.947 1.00 0.00 C ATOM 1646 CG LEU A 106 6.263 9.613 -3.912 1.00 0.00 C ATOM 1647 CD1 LEU A 106 7.122 10.880 -3.990 1.00 0.00 C ATOM 1648 CD2 LEU A 106 4.791 10.003 -4.068 1.00 0.00 C ATOM 0 H LEU A 106 7.310 6.464 -6.027 1.00 0.00 H new ATOM 0 HA LEU A 106 8.804 8.719 -5.123 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.556 8.963 -5.945 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.947 7.713 -4.878 1.00 0.00 H new ATOM 0 HG LEU A 106 6.436 9.157 -2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.789 11.592 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.166 10.623 -3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.022 11.327 -4.979 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.535 10.762 -3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.624 10.401 -5.069 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.164 9.124 -3.917 1.00 0.00 H new ATOM 1660 N LEU A 107 8.015 6.422 -2.924 1.00 0.00 N ATOM 1661 CA LEU A 107 8.345 5.892 -1.615 1.00 0.00 C ATOM 1662 C LEU A 107 9.810 5.475 -1.601 1.00 0.00 C ATOM 1663 O LEU A 107 10.508 5.781 -0.634 1.00 0.00 O ATOM 1664 CB LEU A 107 7.466 4.678 -1.286 1.00 0.00 C ATOM 1665 CG LEU A 107 5.992 5.034 -1.037 1.00 0.00 C ATOM 1666 CD1 LEU A 107 5.130 3.790 -1.244 1.00 0.00 C ATOM 1667 CD2 LEU A 107 5.757 5.601 0.370 1.00 0.00 C ATOM 0 H LEU A 107 7.473 5.778 -3.501 1.00 0.00 H new ATOM 0 HA LEU A 107 8.167 6.664 -0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 107 7.525 3.964 -2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 107 7.865 4.180 -0.402 1.00 0.00 H new ATOM 0 HG LEU A 107 5.714 5.812 -1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.084 4.039 -1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.250 3.430 -2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.440 3.012 -0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.700 5.836 0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.055 4.863 1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.349 6.507 0.501 1.00 0.00 H new ATOM 1679 N LEU A 108 10.263 4.725 -2.607 1.00 0.00 N ATOM 1680 CA LEU A 108 11.535 4.024 -2.571 1.00 0.00 C ATOM 1681 C LEU A 108 11.980 3.719 -4.014 1.00 0.00 C ATOM 1682 O LEU A 108 11.641 2.674 -4.569 1.00 0.00 O ATOM 1683 CB LEU A 108 11.356 2.759 -1.715 1.00 0.00 C ATOM 1684 CG LEU A 108 12.562 2.421 -0.836 1.00 0.00 C ATOM 1685 CD1 LEU A 108 12.180 1.209 0.017 1.00 0.00 C ATOM 1686 CD2 LEU A 108 13.847 2.183 -1.633 1.00 0.00 C ATOM 0 H LEU A 108 9.747 4.590 -3.476 1.00 0.00 H new ATOM 0 HA LEU A 108 12.322 4.626 -2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.480 2.886 -1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.152 1.914 -2.373 1.00 0.00 H new ATOM 0 HG LEU A 108 12.796 3.277 -0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 108 13.018 0.937 0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 108 11.316 1.456 0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 108 11.934 0.369 -0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 108 14.662 1.948 -0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 108 13.700 1.350 -2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 108 14.096 3.081 -2.199 1.00 0.00 H new ATOM 1698 N PRO A 109 12.729 4.622 -4.665 1.00 0.00 N ATOM 1699 CA PRO A 109 13.078 4.494 -6.076 1.00 0.00 C ATOM 1700 C PRO A 109 14.017 3.306 -6.328 1.00 0.00 C ATOM 1701 O PRO A 109 14.051 2.779 -7.435 1.00 0.00 O ATOM 1702 CB PRO A 109 13.735 5.821 -6.466 1.00 0.00 C ATOM 1703 CG PRO A 109 14.218 6.417 -5.146 1.00 0.00 C ATOM 1704 CD PRO A 109 13.285 5.828 -4.088 1.00 0.00 C ATOM 0 HA PRO A 109 12.193 4.295 -6.681 1.00 0.00 H new ATOM 0 HB2 PRO A 109 14.564 5.665 -7.157 1.00 0.00 H new ATOM 0 HB3 PRO A 109 13.026 6.483 -6.963 1.00 0.00 H new ATOM 0 HG2 PRO A 109 15.257 6.152 -4.949 1.00 0.00 H new ATOM 0 HG3 PRO A 109 14.163 7.506 -5.160 1.00 0.00 H new ATOM 0 HD2 PRO A 109 13.829 5.605 -3.170 1.00 0.00 H new ATOM 0 HD3 PRO A 109 12.497 6.534 -3.828 1.00 0.00 H new ATOM 1712 N ASP A 110 14.773 2.871 -5.318 1.00 0.00 N ATOM 1713 CA ASP A 110 15.735 1.773 -5.419 1.00 0.00 C ATOM 1714 C ASP A 110 15.080 0.392 -5.478 1.00 0.00 C ATOM 1715 O ASP A 110 15.699 -0.563 -5.945 1.00 0.00 O ATOM 1716 CB ASP A 110 16.624 1.825 -4.178 1.00 0.00 C ATOM 1717 CG ASP A 110 17.818 0.885 -4.252 1.00 0.00 C ATOM 1718 OD1 ASP A 110 18.641 1.056 -5.179 1.00 0.00 O ATOM 1719 OD2 ASP A 110 18.003 0.110 -3.287 1.00 0.00 O ATOM 0 H ASP A 110 14.732 3.282 -4.386 1.00 0.00 H new ATOM 0 HA ASP A 110 16.290 1.904 -6.348 1.00 0.00 H new ATOM 0 HB2 ASP A 110 16.982 2.845 -4.039 1.00 0.00 H new ATOM 0 HB3 ASP A 110 16.027 1.574 -3.301 1.00 0.00 H new ATOM 1724 N ALA A 111 13.854 0.277 -4.963 1.00 0.00 N ATOM 1725 CA ALA A 111 13.191 -0.996 -4.709 1.00 0.00 C ATOM 1726 C ALA A 111 12.403 -1.509 -5.911 1.00 0.00 C ATOM 1727 O ALA A 111 12.328 -2.711 -6.164 1.00 0.00 O ATOM 1728 CB ALA A 111 12.215 -0.767 -3.560 1.00 0.00 C ATOM 0 H ALA A 111 13.286 1.085 -4.707 1.00 0.00 H new ATOM 0 HA ALA A 111 13.953 -1.742 -4.483 1.00 0.00 H new ATOM 0 HB1 ALA A 111 11.694 -1.697 -3.334 1.00 0.00 H new ATOM 0 HB2 ALA A 111 12.763 -0.435 -2.678 1.00 0.00 H new ATOM 0 HB3 ALA A 111 11.490 -0.005 -3.845 1.00 0.00 H new ATOM 1734 N VAL A 112 11.732 -0.597 -6.604 1.00 0.00 N ATOM 1735 CA VAL A 112 10.918 -0.897 -7.762 1.00 0.00 C ATOM 1736 C VAL A 112 11.875 -1.164 -8.931 1.00 0.00 C ATOM 1737 O VAL A 112 12.668 -0.284 -9.276 1.00 0.00 O ATOM 1738 CB VAL A 112 9.898 0.235 -7.966 1.00 0.00 C ATOM 1739 CG1 VAL A 112 10.461 1.657 -7.897 1.00 0.00 C ATOM 1740 CG2 VAL A 112 9.105 0.077 -9.269 1.00 0.00 C ATOM 0 H VAL A 112 11.743 0.395 -6.365 1.00 0.00 H new ATOM 0 HA VAL A 112 10.309 -1.794 -7.652 1.00 0.00 H new ATOM 0 HB VAL A 112 9.239 0.120 -7.105 1.00 0.00 H new ATOM 0 HG11 VAL A 112 9.656 2.375 -8.054 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.910 1.824 -6.918 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.219 1.786 -8.670 1.00 0.00 H new ATOM 0 HG21 VAL A 112 8.398 0.901 -9.367 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.791 0.085 -10.116 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.561 -0.867 -9.252 1.00 0.00 H new ATOM 1750 N PRO A 113 11.839 -2.356 -9.550 1.00 0.00 N ATOM 1751 CA PRO A 113 12.844 -2.771 -10.519 1.00 0.00 C ATOM 1752 C PRO A 113 12.735 -2.034 -11.858 1.00 0.00 C ATOM 1753 O PRO A 113 13.626 -2.184 -12.696 1.00 0.00 O ATOM 1754 CB PRO A 113 12.644 -4.277 -10.677 1.00 0.00 C ATOM 1755 CG PRO A 113 11.158 -4.475 -10.394 1.00 0.00 C ATOM 1756 CD PRO A 113 10.873 -3.418 -9.332 1.00 0.00 C ATOM 0 HA PRO A 113 13.846 -2.524 -10.169 1.00 0.00 H new ATOM 0 HB2 PRO A 113 12.909 -4.613 -11.679 1.00 0.00 H new ATOM 0 HB3 PRO A 113 13.263 -4.839 -9.978 1.00 0.00 H new ATOM 0 HG2 PRO A 113 10.552 -4.324 -11.288 1.00 0.00 H new ATOM 0 HG3 PRO A 113 10.946 -5.481 -10.031 1.00 0.00 H new ATOM 0 HD2 PRO A 113 9.854 -3.042 -9.421 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.973 -3.836 -8.330 1.00 0.00 H new ATOM 1764 N GLN A 114 11.690 -1.223 -12.061 1.00 0.00 N ATOM 1765 CA GLN A 114 11.519 -0.302 -13.178 1.00 0.00 C ATOM 1766 C GLN A 114 12.515 0.873 -13.075 1.00 0.00 C ATOM 1767 O GLN A 114 12.127 2.044 -13.021 1.00 0.00 O ATOM 1768 CB GLN A 114 10.051 0.163 -13.201 1.00 0.00 C ATOM 1769 CG GLN A 114 9.667 0.890 -14.500 1.00 0.00 C ATOM 1770 CD GLN A 114 8.918 2.194 -14.241 1.00 0.00 C ATOM 1771 OE1 GLN A 114 7.771 2.373 -14.646 1.00 0.00 O ATOM 1772 NE2 GLN A 114 9.555 3.128 -13.561 1.00 0.00 N ATOM 0 H GLN A 114 10.903 -1.194 -11.413 1.00 0.00 H new ATOM 0 HA GLN A 114 11.739 -0.800 -14.122 1.00 0.00 H new ATOM 0 HB2 GLN A 114 9.400 -0.702 -13.070 1.00 0.00 H new ATOM 0 HB3 GLN A 114 9.873 0.826 -12.355 1.00 0.00 H new ATOM 0 HG2 GLN A 114 10.569 1.101 -15.075 1.00 0.00 H new ATOM 0 HG3 GLN A 114 9.047 0.234 -15.110 1.00 0.00 H new ATOM 0 HE21 GLN A 114 10.506 2.961 -13.233 1.00 0.00 H new ATOM 0 HE22 GLN A 114 9.096 4.017 -13.363 1.00 0.00 H new ATOM 1781 N THR A 115 13.805 0.561 -13.056 1.00 0.00 N ATOM 1782 CA THR A 115 14.919 1.484 -13.088 1.00 0.00 C ATOM 1783 C THR A 115 14.842 2.290 -14.388 1.00 0.00 C ATOM 1784 O THR A 115 14.962 1.728 -15.481 1.00 0.00 O ATOM 1785 CB THR A 115 16.201 0.651 -12.962 1.00 0.00 C ATOM 1786 OG1 THR A 115 16.119 -0.165 -11.808 1.00 0.00 O ATOM 1787 CG2 THR A 115 17.468 1.498 -12.879 1.00 0.00 C ATOM 0 H THR A 115 14.115 -0.410 -13.015 1.00 0.00 H new ATOM 0 HA THR A 115 14.902 2.204 -12.269 1.00 0.00 H new ATOM 0 HB THR A 115 16.274 0.050 -13.869 1.00 0.00 H new ATOM 0 HG1 THR A 115 16.936 -0.699 -11.726 1.00 0.00 H new ATOM 0 HG21 THR A 115 18.337 0.846 -12.791 1.00 0.00 H new ATOM 0 HG22 THR A 115 17.559 2.105 -13.780 1.00 0.00 H new ATOM 0 HG23 THR A 115 17.414 2.149 -12.007 1.00 0.00 H new ATOM 1795 N VAL A 116 14.601 3.595 -14.289 1.00 0.00 N ATOM 1796 CA VAL A 116 14.573 4.514 -15.411 1.00 0.00 C ATOM 1797 C VAL A 116 15.141 5.844 -14.926 1.00 0.00 C ATOM 1798 O VAL A 116 14.650 6.445 -13.970 1.00 0.00 O ATOM 1799 CB VAL A 116 13.161 4.596 -16.033 1.00 0.00 C ATOM 1800 CG1 VAL A 116 12.052 5.047 -15.072 1.00 0.00 C ATOM 1801 CG2 VAL A 116 13.179 5.512 -17.265 1.00 0.00 C ATOM 0 H VAL A 116 14.415 4.051 -13.396 1.00 0.00 H new ATOM 0 HA VAL A 116 15.197 4.166 -16.234 1.00 0.00 H new ATOM 0 HB VAL A 116 12.912 3.571 -16.310 1.00 0.00 H new ATOM 0 HG11 VAL A 116 11.100 5.073 -15.602 1.00 0.00 H new ATOM 0 HG12 VAL A 116 11.985 4.347 -14.239 1.00 0.00 H new ATOM 0 HG13 VAL A 116 12.283 6.042 -14.692 1.00 0.00 H new ATOM 0 HG21 VAL A 116 12.179 5.563 -17.695 1.00 0.00 H new ATOM 0 HG22 VAL A 116 13.498 6.512 -16.970 1.00 0.00 H new ATOM 0 HG23 VAL A 116 13.873 5.113 -18.005 1.00 0.00 H new ATOM 1811 N LYS A 117 16.206 6.288 -15.590 1.00 0.00 N ATOM 1812 CA LYS A 117 16.924 7.522 -15.316 1.00 0.00 C ATOM 1813 C LYS A 117 17.239 8.229 -16.636 1.00 0.00 C ATOM 1814 O LYS A 117 18.373 8.652 -16.890 1.00 0.00 O ATOM 1815 CB LYS A 117 18.136 7.259 -14.401 1.00 0.00 C ATOM 1816 CG LYS A 117 19.138 6.181 -14.844 1.00 0.00 C ATOM 1817 CD LYS A 117 18.843 4.782 -14.276 1.00 0.00 C ATOM 1818 CE LYS A 117 20.013 3.830 -14.552 1.00 0.00 C ATOM 1819 NZ LYS A 117 20.098 3.407 -15.966 1.00 0.00 N ATOM 0 H LYS A 117 16.608 5.769 -16.371 1.00 0.00 H new ATOM 0 HA LYS A 117 16.304 8.215 -14.747 1.00 0.00 H new ATOM 0 HB2 LYS A 117 18.680 8.197 -14.285 1.00 0.00 H new ATOM 0 HB3 LYS A 117 17.760 6.984 -13.415 1.00 0.00 H new ATOM 0 HG2 LYS A 117 19.140 6.127 -15.933 1.00 0.00 H new ATOM 0 HG3 LYS A 117 20.140 6.483 -14.538 1.00 0.00 H new ATOM 0 HD2 LYS A 117 18.667 4.849 -13.202 1.00 0.00 H new ATOM 0 HD3 LYS A 117 17.932 4.386 -14.724 1.00 0.00 H new ATOM 0 HE2 LYS A 117 20.945 4.319 -14.269 1.00 0.00 H new ATOM 0 HE3 LYS A 117 19.911 2.947 -13.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 20.908 2.766 -16.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 19.222 2.914 -16.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 20.224 4.243 -16.571 1.00 0.00 H new ATOM 1833 N SER A 118 16.224 8.345 -17.494 1.00 0.00 N ATOM 1834 CA SER A 118 16.158 9.429 -18.464 1.00 0.00 C ATOM 1835 C SER A 118 15.656 10.677 -17.721 1.00 0.00 C ATOM 1836 O SER A 118 15.266 10.615 -16.546 1.00 0.00 O ATOM 1837 CB SER A 118 15.225 9.033 -19.621 1.00 0.00 C ATOM 1838 OG SER A 118 15.315 9.959 -20.691 1.00 0.00 O ATOM 0 H SER A 118 15.437 7.698 -17.533 1.00 0.00 H new ATOM 0 HA SER A 118 17.134 9.638 -18.901 1.00 0.00 H new ATOM 0 HB2 SER A 118 15.485 8.036 -19.976 1.00 0.00 H new ATOM 0 HB3 SER A 118 14.197 8.986 -19.263 1.00 0.00 H new ATOM 0 HG SER A 118 14.713 9.683 -21.414 1.00 0.00 H new ATOM 1844 N LEU A 119 15.613 11.811 -18.413 1.00 0.00 N ATOM 1845 CA LEU A 119 14.924 13.012 -17.974 1.00 0.00 C ATOM 1846 C LEU A 119 14.118 13.531 -19.169 1.00 0.00 C ATOM 1847 O LEU A 119 14.711 14.026 -20.131 1.00 0.00 O ATOM 1848 CB LEU A 119 15.879 14.021 -17.322 1.00 0.00 C ATOM 1849 CG LEU A 119 17.055 14.541 -18.172 1.00 0.00 C ATOM 1850 CD1 LEU A 119 16.814 15.983 -18.614 1.00 0.00 C ATOM 1851 CD2 LEU A 119 18.346 14.497 -17.347 1.00 0.00 C ATOM 0 H LEU A 119 16.070 11.919 -19.319 1.00 0.00 H new ATOM 0 HA LEU A 119 14.223 12.804 -17.166 1.00 0.00 H new ATOM 0 HB2 LEU A 119 15.291 14.881 -17.000 1.00 0.00 H new ATOM 0 HB3 LEU A 119 16.291 13.562 -16.423 1.00 0.00 H new ATOM 0 HG LEU A 119 17.141 13.905 -19.053 1.00 0.00 H new ATOM 0 HD11 LEU A 119 17.658 16.326 -19.212 1.00 0.00 H new ATOM 0 HD12 LEU A 119 15.903 16.033 -19.210 1.00 0.00 H new ATOM 0 HD13 LEU A 119 16.709 16.620 -17.736 1.00 0.00 H new ATOM 0 HD21 LEU A 119 19.176 14.865 -17.950 1.00 0.00 H new ATOM 0 HD22 LEU A 119 18.234 15.124 -16.462 1.00 0.00 H new ATOM 0 HD23 LEU A 119 18.547 13.470 -17.041 1.00 0.00 H new ATOM 1863 N PRO A 120 12.790 13.319 -19.183 1.00 0.00 N ATOM 1864 CA PRO A 120 11.963 13.634 -20.335 1.00 0.00 C ATOM 1865 C PRO A 120 11.848 15.160 -20.514 1.00 0.00 C ATOM 1866 O PRO A 120 11.689 15.864 -19.504 1.00 0.00 O ATOM 1867 CB PRO A 120 10.616 12.951 -20.073 1.00 0.00 C ATOM 1868 CG PRO A 120 10.535 12.824 -18.556 1.00 0.00 C ATOM 1869 CD PRO A 120 11.997 12.701 -18.131 1.00 0.00 C ATOM 0 HA PRO A 120 12.387 13.272 -21.271 1.00 0.00 H new ATOM 0 HB2 PRO A 120 9.789 13.543 -20.466 1.00 0.00 H new ATOM 0 HB3 PRO A 120 10.567 11.975 -20.555 1.00 0.00 H new ATOM 0 HG2 PRO A 120 10.058 13.694 -18.105 1.00 0.00 H new ATOM 0 HG3 PRO A 120 9.955 11.951 -18.256 1.00 0.00 H new ATOM 0 HD2 PRO A 120 12.166 13.198 -17.176 1.00 0.00 H new ATOM 0 HD3 PRO A 120 12.275 11.655 -18.000 1.00 0.00 H new ATOM 1877 N PRO A 121 11.900 15.683 -21.757 1.00 0.00 N ATOM 1878 CA PRO A 121 11.704 17.104 -22.075 1.00 0.00 C ATOM 1879 C PRO A 121 10.321 17.677 -21.727 1.00 0.00 C ATOM 1880 O PRO A 121 10.061 18.846 -22.010 1.00 0.00 O ATOM 1881 CB PRO A 121 11.901 17.226 -23.595 1.00 0.00 C ATOM 1882 CG PRO A 121 12.704 15.995 -23.989 1.00 0.00 C ATOM 1883 CD PRO A 121 12.261 14.952 -22.969 1.00 0.00 C ATOM 0 HA PRO A 121 12.410 17.674 -21.471 1.00 0.00 H new ATOM 0 HB2 PRO A 121 10.944 17.256 -24.116 1.00 0.00 H new ATOM 0 HB3 PRO A 121 12.432 18.142 -23.852 1.00 0.00 H new ATOM 0 HG2 PRO A 121 12.484 15.680 -25.009 1.00 0.00 H new ATOM 0 HG3 PRO A 121 13.777 16.180 -23.937 1.00 0.00 H new ATOM 0 HD2 PRO A 121 11.413 14.379 -23.344 1.00 0.00 H new ATOM 0 HD3 PRO A 121 13.062 14.241 -22.769 1.00 0.00 H new ATOM 1891 N SER A 122 9.406 16.867 -21.205 1.00 0.00 N ATOM 1892 CA SER A 122 7.988 16.926 -21.528 1.00 0.00 C ATOM 1893 C SER A 122 7.114 16.874 -20.265 1.00 0.00 C ATOM 1894 O SER A 122 7.626 16.821 -19.136 1.00 0.00 O ATOM 1895 CB SER A 122 7.710 15.789 -22.534 1.00 0.00 C ATOM 1896 OG SER A 122 8.613 14.701 -22.369 1.00 0.00 O ATOM 0 H SER A 122 9.636 16.136 -20.532 1.00 0.00 H new ATOM 0 HA SER A 122 7.723 17.878 -21.988 1.00 0.00 H new ATOM 0 HB2 SER A 122 6.687 15.434 -22.407 1.00 0.00 H new ATOM 0 HB3 SER A 122 7.790 16.176 -23.550 1.00 0.00 H new ATOM 0 HG SER A 122 8.404 14.001 -23.022 1.00 0.00 H new ATOM 1902 N GLY A 123 5.793 16.936 -20.432 1.00 0.00 N ATOM 1903 CA GLY A 123 4.814 17.010 -19.357 1.00 0.00 C ATOM 1904 C GLY A 123 4.057 15.690 -19.222 1.00 0.00 C ATOM 1905 O GLY A 123 4.323 14.744 -19.965 1.00 0.00 O ATOM 0 H GLY A 123 5.363 16.936 -21.357 1.00 0.00 H new ATOM 0 HA2 GLY A 123 5.315 17.245 -18.418 1.00 0.00 H new ATOM 0 HA3 GLY A 123 4.111 17.819 -19.554 1.00 0.00 H new ATOM 1909 N PRO A 124 3.117 15.590 -18.271 1.00 0.00 N ATOM 1910 CA PRO A 124 2.213 14.450 -18.180 1.00 0.00 C ATOM 1911 C PRO A 124 1.041 14.593 -19.165 1.00 0.00 C ATOM 1912 O PRO A 124 0.395 13.606 -19.521 1.00 0.00 O ATOM 1913 CB PRO A 124 1.739 14.468 -16.727 1.00 0.00 C ATOM 1914 CG PRO A 124 1.711 15.953 -16.378 1.00 0.00 C ATOM 1915 CD PRO A 124 2.829 16.566 -17.227 1.00 0.00 C ATOM 0 HA PRO A 124 2.694 13.508 -18.443 1.00 0.00 H new ATOM 0 HB2 PRO A 124 0.755 14.012 -16.621 1.00 0.00 H new ATOM 0 HB3 PRO A 124 2.418 13.916 -16.077 1.00 0.00 H new ATOM 0 HG2 PRO A 124 0.744 16.398 -16.613 1.00 0.00 H new ATOM 0 HG3 PRO A 124 1.886 16.114 -15.314 1.00 0.00 H new ATOM 0 HD2 PRO A 124 2.516 17.517 -17.657 1.00 0.00 H new ATOM 0 HD3 PRO A 124 3.714 16.765 -16.623 1.00 0.00 H new ATOM 1923 N SER A 125 0.758 15.828 -19.585 1.00 0.00 N ATOM 1924 CA SER A 125 -0.318 16.233 -20.461 1.00 0.00 C ATOM 1925 C SER A 125 0.037 17.651 -20.889 1.00 0.00 C ATOM 1926 O SER A 125 -0.154 18.586 -20.110 1.00 0.00 O ATOM 1927 CB SER A 125 -1.638 16.140 -19.680 1.00 0.00 C ATOM 1928 OG SER A 125 -2.740 16.826 -20.251 1.00 0.00 O ATOM 0 H SER A 125 1.325 16.624 -19.293 1.00 0.00 H new ATOM 0 HA SER A 125 -0.444 15.607 -21.345 1.00 0.00 H new ATOM 0 HB2 SER A 125 -1.903 15.088 -19.575 1.00 0.00 H new ATOM 0 HB3 SER A 125 -1.473 16.529 -18.675 1.00 0.00 H new ATOM 0 HG SER A 125 -3.530 16.706 -19.683 1.00 0.00 H new ATOM 1934 N SER A 126 0.595 17.811 -22.088 1.00 0.00 N ATOM 1935 CA SER A 126 0.847 19.119 -22.677 1.00 0.00 C ATOM 1936 C SER A 126 -0.477 19.871 -22.874 1.00 0.00 C ATOM 1937 O SER A 126 -0.590 21.024 -22.455 1.00 0.00 O ATOM 1938 CB SER A 126 1.629 18.945 -23.988 1.00 0.00 C ATOM 1939 OG SER A 126 2.918 19.516 -23.869 1.00 0.00 O ATOM 0 H SER A 126 0.885 17.031 -22.678 1.00 0.00 H new ATOM 0 HA SER A 126 1.458 19.724 -22.007 1.00 0.00 H new ATOM 0 HB2 SER A 126 1.714 17.886 -24.231 1.00 0.00 H new ATOM 0 HB3 SER A 126 1.088 19.418 -24.808 1.00 0.00 H new ATOM 0 HG SER A 126 3.407 19.397 -24.710 1.00 0.00 H new ATOM 1945 N GLY A 127 -1.494 19.198 -23.425 1.00 0.00 N ATOM 1946 CA GLY A 127 -2.797 19.791 -23.692 1.00 0.00 C ATOM 1947 C GLY A 127 -2.672 20.874 -24.746 1.00 0.00 C ATOM 1948 O GLY A 127 -3.357 21.913 -24.624 1.00 0.00 O ATOM 0 H GLY A 127 -1.429 18.217 -23.698 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -3.492 19.023 -24.030 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -3.208 20.212 -22.774 1.00 0.00 H new TER 1952 GLY A 127