USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 531 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 57 GLN : amide:sc= 0.532 K(o=1.7,f=-8.4!) USER MOD Set 1.2: A 61 THR OG1 : rot -179:sc= 1.13 USER MOD Set 2.1: A 40 LYS NZ :NH3+ 148:sc= 1.88! (180deg=-0.664) USER MOD Set 2.2: A 42 SER OG : rot -22:sc= 1.44 USER MOD Set 3.1: A 25 THR OG1 : rot -160:sc= -0.345 USER MOD Set 3.2: A 69 MET CE :methyl -149:sc= -0.724 (180deg=-0.929) USER MOD Set 4.1: A 19 CYS SG : rot -22:sc= 0.987 USER MOD Set 4.2: A 21 SER OG : rot -115:sc= 1.11 USER MOD Set 4.3: A 22 CYS SG : rot -77:sc= -1.51 USER MOD Set 5.1: A 13 SER OG : rot 180:sc= 0.467 USER MOD Set 5.2: A 47 ASN : amide:sc= -1.24! K(o=-0.78!,f=-0.27) USER MOD Set 6.1: A 11 THR OG1 : rot -27:sc= 0.725 USER MOD Set 6.2: A 49 THR OG1 : rot -170:sc= 1.01 USER MOD Set 7.1: A 8 ASN : amide:sc= -0.147 K(o=-0.39,f=-3.1!) USER MOD Set 7.2: A 52 TYR OH : rot 165:sc= -0.247 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -162:sc= -6.98! (180deg=-8.21!) USER MOD Single : A 18 THR OG1 : rot -44:sc= 1.16 USER MOD Single : A 20 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.62) USER MOD Single : A 28 GLN : amide:sc= 0.914 K(o=0.91,f=-0.21) USER MOD Single : A 29 GLN : amide:sc= 0.47! C(o=0.47!,f=-3.1!) USER MOD Single : A 32 LYS NZ :NH3+ 166:sc= 0.545! (180deg=0.129) USER MOD Single : A 34 ASN : amide:sc= -6.01! C(o=-6!,f=-8.4!) USER MOD Single : A 37 HIS : no HD1:sc= -1.55 K(o=-1.5,f=0.029) USER MOD Single : A 38 HIS : no HD1:sc= -7.92! C(o=-7.9!,f=-4!) USER MOD Single : A 46 LYS NZ :NH3+ -141:sc= -0.592! (180deg=-2!) USER MOD Single : A 55 LYS NZ :NH3+ 161:sc= 0.668 (180deg=-0.845!) USER MOD Single : A 58 THR OG1 : rot -170:sc= 0.766 USER MOD Single : A 60 LYS NZ :NH3+ 139:sc= 0.671 (180deg=-2.89!) USER MOD Single : A 63 GLN : amide:sc= -0.146 K(o=-0.15,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 7 2.303 -15.632 -0.485 1.00 0.00 N ATOM 82 CA VAL A 7 2.191 -14.164 -0.203 1.00 0.00 C ATOM 83 C VAL A 7 1.088 -13.545 -1.077 1.00 0.00 C ATOM 84 O VAL A 7 0.697 -14.109 -2.081 1.00 0.00 O ATOM 85 CB VAL A 7 3.565 -13.577 -0.565 1.00 0.00 C ATOM 86 CG1 VAL A 7 3.691 -12.174 0.022 1.00 0.00 C ATOM 87 CG2 VAL A 7 4.681 -14.457 0.011 1.00 0.00 C ATOM 0 HA VAL A 7 1.928 -13.960 0.835 1.00 0.00 H new ATOM 0 HB VAL A 7 3.656 -13.537 -1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.665 -11.758 -0.235 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.906 -11.537 -0.386 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.592 -12.223 1.106 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.650 -14.033 -0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.586 -14.502 1.096 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.601 -15.463 -0.402 1.00 0.00 H new ATOM 97 N ASN A 8 0.584 -12.392 -0.714 1.00 0.00 N ATOM 98 CA ASN A 8 -0.488 -11.756 -1.541 1.00 0.00 C ATOM 99 C ASN A 8 0.005 -10.427 -2.124 1.00 0.00 C ATOM 100 O ASN A 8 0.998 -9.873 -1.686 1.00 0.00 O ATOM 101 CB ASN A 8 -1.663 -11.525 -0.587 1.00 0.00 C ATOM 102 CG ASN A 8 -2.777 -12.524 -0.906 1.00 0.00 C ATOM 103 OD1 ASN A 8 -2.745 -13.651 -0.458 1.00 0.00 O ATOM 104 ND2 ASN A 8 -3.769 -12.158 -1.662 1.00 0.00 N ATOM 0 H ASN A 8 0.866 -11.866 0.113 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.775 -12.384 -2.384 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.337 -11.644 0.446 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.034 -10.505 -0.688 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.517 -12.817 -1.877 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.799 -11.211 -2.041 1.00 0.00 H new ATOM 111 N SER A 9 -0.677 -9.913 -3.112 1.00 0.00 N ATOM 112 CA SER A 9 -0.241 -8.622 -3.729 1.00 0.00 C ATOM 113 C SER A 9 -1.401 -7.628 -3.813 1.00 0.00 C ATOM 114 O SER A 9 -2.535 -7.999 -4.048 1.00 0.00 O ATOM 115 CB SER A 9 0.251 -8.997 -5.127 1.00 0.00 C ATOM 116 OG SER A 9 -0.774 -9.716 -5.812 1.00 0.00 O ATOM 0 H SER A 9 -1.515 -10.328 -3.519 1.00 0.00 H new ATOM 0 HA SER A 9 0.533 -8.134 -3.137 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.516 -8.099 -5.685 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.153 -9.605 -5.056 1.00 0.00 H new ATOM 0 HG SER A 9 -0.461 -9.956 -6.709 1.00 0.00 H new ATOM 122 N VAL A 10 -1.120 -6.366 -3.613 1.00 0.00 N ATOM 123 CA VAL A 10 -2.202 -5.338 -3.669 1.00 0.00 C ATOM 124 C VAL A 10 -1.693 -4.045 -4.325 1.00 0.00 C ATOM 125 O VAL A 10 -0.573 -3.615 -4.108 1.00 0.00 O ATOM 126 CB VAL A 10 -2.590 -5.115 -2.193 1.00 0.00 C ATOM 127 CG1 VAL A 10 -2.776 -3.621 -1.893 1.00 0.00 C ATOM 128 CG2 VAL A 10 -3.904 -5.845 -1.904 1.00 0.00 C ATOM 0 H VAL A 10 -0.188 -6.003 -3.413 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.054 -5.654 -4.271 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.789 -5.502 -1.563 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.049 -3.491 -0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.845 -3.091 -2.093 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.566 -3.218 -2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.184 -5.691 -0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.688 -5.453 -2.552 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.777 -6.911 -2.092 1.00 0.00 H new ATOM 138 N THR A 11 -2.522 -3.404 -5.105 1.00 0.00 N ATOM 139 CA THR A 11 -2.102 -2.131 -5.751 1.00 0.00 C ATOM 140 C THR A 11 -2.812 -0.983 -5.046 1.00 0.00 C ATOM 141 O THR A 11 -3.928 -1.147 -4.560 1.00 0.00 O ATOM 142 CB THR A 11 -2.534 -2.239 -7.215 1.00 0.00 C ATOM 143 OG1 THR A 11 -1.730 -3.207 -7.881 1.00 0.00 O ATOM 144 CG2 THR A 11 -2.360 -0.885 -7.897 1.00 0.00 C ATOM 0 H THR A 11 -3.471 -3.708 -5.321 1.00 0.00 H new ATOM 0 HA THR A 11 -1.029 -1.952 -5.689 1.00 0.00 H new ATOM 0 HB THR A 11 -3.580 -2.542 -7.261 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.855 -3.263 -7.443 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.667 -0.961 -8.940 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.975 -0.141 -7.391 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.313 -0.585 -7.848 1.00 0.00 H new ATOM 152 N ILE A 12 -2.158 0.158 -4.935 1.00 0.00 N ATOM 153 CA ILE A 12 -2.775 1.304 -4.206 1.00 0.00 C ATOM 154 C ILE A 12 -2.815 2.611 -5.044 1.00 0.00 C ATOM 155 O ILE A 12 -1.777 3.186 -5.334 1.00 0.00 O ATOM 156 CB ILE A 12 -1.880 1.515 -2.975 1.00 0.00 C ATOM 157 CG1 ILE A 12 -1.735 0.209 -2.178 1.00 0.00 C ATOM 158 CG2 ILE A 12 -2.489 2.593 -2.077 1.00 0.00 C ATOM 159 CD1 ILE A 12 -3.064 -0.150 -1.504 1.00 0.00 C ATOM 0 H ILE A 12 -1.230 0.336 -5.318 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.813 1.079 -3.963 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.893 1.829 -3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.426 -0.598 -2.842 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.955 0.319 -1.425 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.853 2.742 -1.204 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.567 3.528 -2.632 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.481 2.279 -1.754 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.948 -1.077 -0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.356 0.651 -0.825 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.834 -0.280 -2.264 1.00 0.00 H new ATOM 171 N SER A 13 -3.994 3.137 -5.379 1.00 0.00 N ATOM 172 CA SER A 13 -4.030 4.435 -6.106 1.00 0.00 C ATOM 173 C SER A 13 -3.903 5.513 -5.035 1.00 0.00 C ATOM 174 O SER A 13 -4.770 5.665 -4.192 1.00 0.00 O ATOM 175 CB SER A 13 -5.386 4.503 -6.814 1.00 0.00 C ATOM 176 OG SER A 13 -5.260 5.309 -7.979 1.00 0.00 O ATOM 0 H SER A 13 -4.903 2.720 -5.177 1.00 0.00 H new ATOM 0 HA SER A 13 -3.239 4.558 -6.846 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.721 3.501 -7.084 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.139 4.922 -6.146 1.00 0.00 H new ATOM 0 HG SER A 13 -6.124 5.356 -8.439 1.00 0.00 H new ATOM 182 N VAL A 14 -2.802 6.205 -5.011 1.00 0.00 N ATOM 183 CA VAL A 14 -2.578 7.214 -3.944 1.00 0.00 C ATOM 184 C VAL A 14 -2.654 8.652 -4.476 1.00 0.00 C ATOM 185 O VAL A 14 -2.089 8.981 -5.502 1.00 0.00 O ATOM 186 CB VAL A 14 -1.169 6.891 -3.419 1.00 0.00 C ATOM 187 CG1 VAL A 14 -0.116 7.305 -4.447 1.00 0.00 C ATOM 188 CG2 VAL A 14 -0.926 7.643 -2.108 1.00 0.00 C ATOM 0 H VAL A 14 -2.044 6.115 -5.688 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.344 7.163 -3.170 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.093 5.818 -3.245 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.878 7.072 -4.064 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.283 6.763 -5.378 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.191 8.376 -4.633 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.073 7.413 -1.737 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.011 8.716 -2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.667 7.336 -1.370 1.00 0.00 H new ATOM 198 N GLU A 15 -3.341 9.513 -3.768 1.00 0.00 N ATOM 199 CA GLU A 15 -3.447 10.931 -4.206 1.00 0.00 C ATOM 200 C GLU A 15 -2.791 11.861 -3.171 1.00 0.00 C ATOM 201 O GLU A 15 -2.369 11.430 -2.110 1.00 0.00 O ATOM 202 CB GLU A 15 -4.950 11.212 -4.322 1.00 0.00 C ATOM 203 CG GLU A 15 -5.308 11.564 -5.777 1.00 0.00 C ATOM 204 CD GLU A 15 -4.366 12.647 -6.319 1.00 0.00 C ATOM 205 OE1 GLU A 15 -4.193 13.653 -5.649 1.00 0.00 O ATOM 206 OE2 GLU A 15 -3.825 12.447 -7.392 1.00 0.00 O ATOM 0 H GLU A 15 -3.833 9.290 -2.903 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.935 11.106 -5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.518 10.339 -4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.227 12.034 -3.661 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.241 10.672 -6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.339 11.912 -5.829 1.00 0.00 H new ATOM 213 N GLY A 16 -2.704 13.135 -3.474 1.00 0.00 N ATOM 214 CA GLY A 16 -2.080 14.104 -2.515 1.00 0.00 C ATOM 215 C GLY A 16 -0.543 14.084 -2.625 1.00 0.00 C ATOM 216 O GLY A 16 0.131 14.899 -2.021 1.00 0.00 O ATOM 0 H GLY A 16 -3.039 13.547 -4.345 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.449 15.109 -2.718 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.378 13.855 -1.497 1.00 0.00 H new ATOM 220 N MET A 17 0.026 13.165 -3.379 1.00 0.00 N ATOM 221 CA MET A 17 1.515 13.105 -3.507 1.00 0.00 C ATOM 222 C MET A 17 2.019 14.108 -4.554 1.00 0.00 C ATOM 223 O MET A 17 1.776 13.956 -5.736 1.00 0.00 O ATOM 224 CB MET A 17 1.809 11.684 -3.981 1.00 0.00 C ATOM 225 CG MET A 17 1.476 10.669 -2.882 1.00 0.00 C ATOM 226 SD MET A 17 2.302 9.101 -3.254 1.00 0.00 S ATOM 227 CE MET A 17 2.144 9.195 -5.054 1.00 0.00 C ATOM 0 H MET A 17 -0.481 12.456 -3.909 1.00 0.00 H new ATOM 0 HA MET A 17 2.007 13.351 -2.566 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.225 11.465 -4.875 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.860 11.597 -4.257 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.802 11.045 -1.912 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.398 10.521 -2.821 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.292 8.205 -5.484 1.00 0.00 H new ATOM 0 HE2 MET A 17 1.150 9.558 -5.313 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.895 9.879 -5.450 1.00 0.00 H new ATOM 237 N THR A 18 2.725 15.128 -4.135 1.00 0.00 N ATOM 238 CA THR A 18 3.244 16.132 -5.123 1.00 0.00 C ATOM 239 C THR A 18 4.682 16.581 -4.789 1.00 0.00 C ATOM 240 O THR A 18 5.098 17.655 -5.177 1.00 0.00 O ATOM 241 CB THR A 18 2.270 17.314 -5.037 1.00 0.00 C ATOM 242 OG1 THR A 18 2.691 18.342 -5.922 1.00 0.00 O ATOM 243 CG2 THR A 18 2.226 17.861 -3.609 1.00 0.00 C ATOM 0 H THR A 18 2.965 15.311 -3.161 1.00 0.00 H new ATOM 0 HA THR A 18 3.297 15.709 -6.126 1.00 0.00 H new ATOM 0 HB THR A 18 1.274 16.971 -5.318 1.00 0.00 H new ATOM 0 HG1 THR A 18 3.660 18.464 -5.844 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.531 18.699 -3.562 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.895 17.076 -2.929 1.00 0.00 H new ATOM 0 HG23 THR A 18 3.221 18.198 -3.317 1.00 0.00 H new ATOM 251 N CYS A 19 5.449 15.768 -4.096 1.00 0.00 N ATOM 252 CA CYS A 19 6.862 16.150 -3.766 1.00 0.00 C ATOM 253 C CYS A 19 7.586 14.933 -3.180 1.00 0.00 C ATOM 254 O CYS A 19 6.996 14.185 -2.412 1.00 0.00 O ATOM 255 CB CYS A 19 6.762 17.307 -2.754 1.00 0.00 C ATOM 256 SG CYS A 19 7.119 16.721 -1.078 1.00 0.00 S ATOM 0 H CYS A 19 5.157 14.856 -3.745 1.00 0.00 H new ATOM 0 HA CYS A 19 7.432 16.467 -4.640 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.463 18.097 -3.026 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.763 17.742 -2.788 1.00 0.00 H new ATOM 0 HG CYS A 19 6.918 15.438 -1.015 1.00 0.00 H new ATOM 261 N ASN A 20 8.837 14.729 -3.563 1.00 0.00 N ATOM 262 CA ASN A 20 9.664 13.549 -3.085 1.00 0.00 C ATOM 263 C ASN A 20 9.159 12.976 -1.755 1.00 0.00 C ATOM 264 O ASN A 20 9.030 11.777 -1.588 1.00 0.00 O ATOM 265 CB ASN A 20 11.087 14.100 -2.920 1.00 0.00 C ATOM 266 CG ASN A 20 11.625 14.551 -4.277 1.00 0.00 C ATOM 267 OD1 ASN A 20 11.518 15.705 -4.630 1.00 0.00 O ATOM 268 ND2 ASN A 20 12.203 13.687 -5.059 1.00 0.00 N ATOM 0 H ASN A 20 9.334 15.347 -4.204 1.00 0.00 H new ATOM 0 HA ASN A 20 9.607 12.726 -3.797 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.084 14.938 -2.222 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.737 13.334 -2.496 1.00 0.00 H new ATOM 0 HD21 ASN A 20 12.564 13.982 -5.966 1.00 0.00 H new ATOM 0 HD22 ASN A 20 12.295 12.715 -4.765 1.00 0.00 H new ATOM 275 N SER A 21 8.870 13.831 -0.813 1.00 0.00 N ATOM 276 CA SER A 21 8.372 13.367 0.519 1.00 0.00 C ATOM 277 C SER A 21 7.097 12.490 0.418 1.00 0.00 C ATOM 278 O SER A 21 6.714 11.844 1.364 1.00 0.00 O ATOM 279 CB SER A 21 8.047 14.657 1.287 1.00 0.00 C ATOM 280 OG SER A 21 6.662 14.993 1.111 1.00 0.00 O ATOM 0 H SER A 21 8.958 14.843 -0.908 1.00 0.00 H new ATOM 0 HA SER A 21 9.121 12.742 1.006 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.267 14.525 2.346 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.676 15.472 0.930 1.00 0.00 H new ATOM 0 HG SER A 21 6.590 15.837 0.618 1.00 0.00 H new ATOM 286 N CYS A 22 6.428 12.462 -0.698 1.00 0.00 N ATOM 287 CA CYS A 22 5.176 11.641 -0.781 1.00 0.00 C ATOM 288 C CYS A 22 5.458 10.230 -1.311 1.00 0.00 C ATOM 289 O CYS A 22 4.760 9.290 -0.990 1.00 0.00 O ATOM 290 CB CYS A 22 4.258 12.433 -1.708 1.00 0.00 C ATOM 291 SG CYS A 22 3.906 14.038 -0.949 1.00 0.00 S ATOM 0 H CYS A 22 6.684 12.962 -1.549 1.00 0.00 H new ATOM 0 HA CYS A 22 4.721 11.482 0.197 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.731 12.571 -2.680 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.331 11.885 -1.880 1.00 0.00 H new ATOM 0 HG CYS A 22 3.029 13.887 -0.002 1.00 0.00 H new ATOM 296 N VAL A 23 6.492 10.067 -2.088 1.00 0.00 N ATOM 297 CA VAL A 23 6.824 8.710 -2.612 1.00 0.00 C ATOM 298 C VAL A 23 7.732 8.019 -1.625 1.00 0.00 C ATOM 299 O VAL A 23 7.633 6.828 -1.418 1.00 0.00 O ATOM 300 CB VAL A 23 7.536 8.900 -3.961 1.00 0.00 C ATOM 301 CG1 VAL A 23 8.813 9.732 -3.792 1.00 0.00 C ATOM 302 CG2 VAL A 23 7.912 7.529 -4.525 1.00 0.00 C ATOM 0 H VAL A 23 7.122 10.813 -2.383 1.00 0.00 H new ATOM 0 HA VAL A 23 5.931 8.100 -2.748 1.00 0.00 H new ATOM 0 HB VAL A 23 6.862 9.423 -4.639 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.299 9.853 -4.760 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.558 10.712 -3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.491 9.223 -3.107 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.418 7.656 -5.482 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.577 7.019 -3.828 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.010 6.934 -4.667 1.00 0.00 H new ATOM 312 N TRP A 24 8.595 8.753 -0.973 1.00 0.00 N ATOM 313 CA TRP A 24 9.464 8.074 0.023 1.00 0.00 C ATOM 314 C TRP A 24 8.670 7.869 1.320 1.00 0.00 C ATOM 315 O TRP A 24 8.956 6.977 2.080 1.00 0.00 O ATOM 316 CB TRP A 24 10.726 8.944 0.195 1.00 0.00 C ATOM 317 CG TRP A 24 10.973 9.232 1.642 1.00 0.00 C ATOM 318 CD1 TRP A 24 11.886 8.630 2.441 1.00 0.00 C ATOM 319 CD2 TRP A 24 10.287 10.195 2.459 1.00 0.00 C ATOM 320 NE1 TRP A 24 11.789 9.184 3.712 1.00 0.00 N ATOM 321 CE2 TRP A 24 10.807 10.160 3.766 1.00 0.00 C ATOM 322 CE3 TRP A 24 9.264 11.083 2.171 1.00 0.00 C ATOM 323 CZ2 TRP A 24 10.313 11.008 4.763 1.00 0.00 C ATOM 324 CZ3 TRP A 24 8.757 11.934 3.147 1.00 0.00 C ATOM 325 CH2 TRP A 24 9.276 11.903 4.452 1.00 0.00 C ATOM 0 H TRP A 24 8.732 9.758 -1.082 1.00 0.00 H new ATOM 0 HA TRP A 24 9.782 7.082 -0.297 1.00 0.00 H new ATOM 0 HB2 TRP A 24 11.588 8.432 -0.232 1.00 0.00 H new ATOM 0 HB3 TRP A 24 10.607 9.879 -0.352 1.00 0.00 H new ATOM 0 HD1 TRP A 24 12.573 7.852 2.141 1.00 0.00 H new ATOM 0 HE1 TRP A 24 12.368 8.907 4.505 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.853 11.115 1.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.724 10.975 5.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 7.961 12.621 2.901 1.00 0.00 H new ATOM 0 HH2 TRP A 24 8.881 12.562 5.211 1.00 0.00 H new ATOM 336 N THR A 25 7.648 8.656 1.565 1.00 0.00 N ATOM 337 CA THR A 25 6.841 8.429 2.816 1.00 0.00 C ATOM 338 C THR A 25 5.771 7.342 2.575 1.00 0.00 C ATOM 339 O THR A 25 5.372 6.642 3.482 1.00 0.00 O ATOM 340 CB THR A 25 6.197 9.776 3.160 1.00 0.00 C ATOM 341 OG1 THR A 25 5.898 9.808 4.544 1.00 0.00 O ATOM 342 CG2 THR A 25 4.907 9.981 2.359 1.00 0.00 C ATOM 0 H THR A 25 7.340 9.427 0.973 1.00 0.00 H new ATOM 0 HA THR A 25 7.464 8.077 3.638 1.00 0.00 H new ATOM 0 HB THR A 25 6.895 10.574 2.906 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.222 10.496 4.717 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.466 10.944 2.619 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.134 9.962 1.293 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.202 9.184 2.595 1.00 0.00 H new ATOM 350 N ILE A 26 5.325 7.185 1.348 1.00 0.00 N ATOM 351 CA ILE A 26 4.294 6.138 1.034 1.00 0.00 C ATOM 352 C ILE A 26 4.991 4.824 0.681 1.00 0.00 C ATOM 353 O ILE A 26 4.484 3.749 0.940 1.00 0.00 O ATOM 354 CB ILE A 26 3.512 6.685 -0.174 1.00 0.00 C ATOM 355 CG1 ILE A 26 2.596 7.825 0.287 1.00 0.00 C ATOM 356 CG2 ILE A 26 2.657 5.575 -0.800 1.00 0.00 C ATOM 357 CD1 ILE A 26 1.501 7.277 1.207 1.00 0.00 C ATOM 0 H ILE A 26 5.631 7.738 0.548 1.00 0.00 H new ATOM 0 HA ILE A 26 3.632 5.937 1.876 1.00 0.00 H new ATOM 0 HB ILE A 26 4.221 7.052 -0.916 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.179 8.581 0.812 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.146 8.313 -0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.109 5.975 -1.653 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.303 4.762 -1.132 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.951 5.198 -0.060 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.855 8.093 1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.909 6.537 0.668 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.959 6.810 2.079 1.00 0.00 H new ATOM 369 N GLU A 27 6.167 4.911 0.128 1.00 0.00 N ATOM 370 CA GLU A 27 6.938 3.687 -0.216 1.00 0.00 C ATOM 371 C GLU A 27 7.627 3.196 1.052 1.00 0.00 C ATOM 372 O GLU A 27 7.777 2.008 1.274 1.00 0.00 O ATOM 373 CB GLU A 27 7.959 4.132 -1.270 1.00 0.00 C ATOM 374 CG GLU A 27 8.649 2.900 -1.863 1.00 0.00 C ATOM 375 CD GLU A 27 9.036 3.161 -3.322 1.00 0.00 C ATOM 376 OE1 GLU A 27 9.870 4.020 -3.551 1.00 0.00 O ATOM 377 OE2 GLU A 27 8.489 2.492 -4.185 1.00 0.00 O ATOM 0 H GLU A 27 6.632 5.789 -0.103 1.00 0.00 H new ATOM 0 HA GLU A 27 6.323 2.874 -0.602 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.462 4.698 -2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.698 4.795 -0.819 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.538 2.657 -1.281 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.984 2.038 -1.804 1.00 0.00 H new ATOM 384 N GLN A 28 8.006 4.113 1.914 1.00 0.00 N ATOM 385 CA GLN A 28 8.644 3.697 3.199 1.00 0.00 C ATOM 386 C GLN A 28 7.557 3.274 4.189 1.00 0.00 C ATOM 387 O GLN A 28 7.797 2.466 5.068 1.00 0.00 O ATOM 388 CB GLN A 28 9.403 4.922 3.713 1.00 0.00 C ATOM 389 CG GLN A 28 10.418 4.493 4.780 1.00 0.00 C ATOM 390 CD GLN A 28 9.903 4.859 6.174 1.00 0.00 C ATOM 391 OE1 GLN A 28 10.283 5.867 6.728 1.00 0.00 O ATOM 392 NE2 GLN A 28 9.054 4.077 6.772 1.00 0.00 N ATOM 0 H GLN A 28 7.901 5.119 1.783 1.00 0.00 H new ATOM 0 HA GLN A 28 9.320 2.852 3.070 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.916 5.416 2.888 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.704 5.645 4.133 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.590 3.418 4.718 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.376 4.980 4.598 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.731 3.227 6.310 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.711 4.313 7.703 1.00 0.00 H new ATOM 401 N GLN A 29 6.355 3.797 4.051 1.00 0.00 N ATOM 402 CA GLN A 29 5.266 3.386 4.993 1.00 0.00 C ATOM 403 C GLN A 29 4.853 1.945 4.673 1.00 0.00 C ATOM 404 O GLN A 29 5.058 1.040 5.461 1.00 0.00 O ATOM 405 CB GLN A 29 4.110 4.375 4.755 1.00 0.00 C ATOM 406 CG GLN A 29 2.811 3.850 5.396 1.00 0.00 C ATOM 407 CD GLN A 29 2.654 4.402 6.818 1.00 0.00 C ATOM 408 OE1 GLN A 29 3.619 4.557 7.536 1.00 0.00 O ATOM 409 NE2 GLN A 29 1.465 4.695 7.260 1.00 0.00 N ATOM 0 H GLN A 29 6.088 4.478 3.340 1.00 0.00 H new ATOM 0 HA GLN A 29 5.574 3.411 6.038 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.363 5.348 5.176 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.962 4.520 3.685 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.954 4.143 4.789 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.826 2.760 5.422 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.651 4.566 6.659 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.347 5.054 8.208 1.00 0.00 H new ATOM 418 N ILE A 30 4.293 1.720 3.512 1.00 0.00 N ATOM 419 CA ILE A 30 3.877 0.331 3.136 1.00 0.00 C ATOM 420 C ILE A 30 5.096 -0.612 3.145 1.00 0.00 C ATOM 421 O ILE A 30 5.073 -1.652 3.775 1.00 0.00 O ATOM 422 CB ILE A 30 3.277 0.459 1.729 1.00 0.00 C ATOM 423 CG1 ILE A 30 1.898 1.130 1.820 1.00 0.00 C ATOM 424 CG2 ILE A 30 3.126 -0.926 1.094 1.00 0.00 C ATOM 425 CD1 ILE A 30 0.919 0.228 2.584 1.00 0.00 C ATOM 0 H ILE A 30 4.105 2.434 2.809 1.00 0.00 H new ATOM 0 HA ILE A 30 3.157 -0.092 3.837 1.00 0.00 H new ATOM 0 HB ILE A 30 3.942 1.064 1.113 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.986 2.092 2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.515 1.329 0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.700 -0.824 0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.104 -1.403 1.024 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.467 -1.539 1.709 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.055 0.715 2.642 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.819 -0.724 2.062 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.297 0.052 3.591 1.00 0.00 H new ATOM 437 N GLY A 31 6.161 -0.252 2.459 1.00 0.00 N ATOM 438 CA GLY A 31 7.385 -1.122 2.433 1.00 0.00 C ATOM 439 C GLY A 31 7.779 -1.534 3.858 1.00 0.00 C ATOM 440 O GLY A 31 8.177 -2.661 4.098 1.00 0.00 O ATOM 0 H GLY A 31 6.234 0.608 1.916 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.195 -2.010 1.830 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.209 -0.587 1.961 1.00 0.00 H new ATOM 444 N LYS A 32 7.675 -0.634 4.805 1.00 0.00 N ATOM 445 CA LYS A 32 8.046 -0.979 6.213 1.00 0.00 C ATOM 446 C LYS A 32 6.807 -0.970 7.130 1.00 0.00 C ATOM 447 O LYS A 32 6.919 -0.743 8.321 1.00 0.00 O ATOM 448 CB LYS A 32 9.039 0.117 6.629 1.00 0.00 C ATOM 449 CG LYS A 32 9.797 -0.313 7.890 1.00 0.00 C ATOM 450 CD LYS A 32 9.501 0.669 9.032 1.00 0.00 C ATOM 451 CE LYS A 32 9.283 -0.107 10.335 1.00 0.00 C ATOM 452 NZ LYS A 32 7.802 -0.254 10.455 1.00 0.00 N ATOM 0 H LYS A 32 7.350 0.323 4.665 1.00 0.00 H new ATOM 0 HA LYS A 32 8.473 -1.979 6.292 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.743 0.308 5.819 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.507 1.050 6.815 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.500 -1.321 8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.868 -0.341 7.690 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.329 1.368 9.148 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.616 1.260 8.797 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.775 -1.079 10.302 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.697 0.431 11.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.581 -0.966 11.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.384 0.658 10.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.408 -0.557 9.541 1.00 0.00 H new ATOM 466 N VAL A 33 5.628 -1.204 6.606 1.00 0.00 N ATOM 467 CA VAL A 33 4.417 -1.185 7.486 1.00 0.00 C ATOM 468 C VAL A 33 4.345 -2.447 8.368 1.00 0.00 C ATOM 469 O VAL A 33 4.129 -2.356 9.562 1.00 0.00 O ATOM 470 CB VAL A 33 3.214 -1.064 6.535 1.00 0.00 C ATOM 471 CG1 VAL A 33 3.050 -2.325 5.678 1.00 0.00 C ATOM 472 CG2 VAL A 33 1.946 -0.846 7.357 1.00 0.00 C ATOM 0 H VAL A 33 5.452 -1.405 5.621 1.00 0.00 H new ATOM 0 HA VAL A 33 4.439 -0.351 8.188 1.00 0.00 H new ATOM 0 HB VAL A 33 3.387 -0.219 5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.191 -2.207 5.017 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.949 -2.479 5.081 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.893 -3.187 6.326 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.089 -0.759 6.689 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.798 -1.692 8.029 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.044 0.069 7.941 1.00 0.00 H new ATOM 482 N ASN A 34 4.546 -3.617 7.806 1.00 0.00 N ATOM 483 CA ASN A 34 4.501 -4.873 8.635 1.00 0.00 C ATOM 484 C ASN A 34 4.921 -6.110 7.816 1.00 0.00 C ATOM 485 O ASN A 34 5.495 -7.039 8.349 1.00 0.00 O ATOM 486 CB ASN A 34 3.047 -5.003 9.135 1.00 0.00 C ATOM 487 CG ASN A 34 2.060 -4.836 7.982 1.00 0.00 C ATOM 488 OD1 ASN A 34 1.447 -3.802 7.839 1.00 0.00 O ATOM 489 ND2 ASN A 34 1.861 -5.820 7.158 1.00 0.00 N ATOM 0 H ASN A 34 4.739 -3.760 6.815 1.00 0.00 H new ATOM 0 HA ASN A 34 5.203 -4.816 9.467 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.904 -5.977 9.603 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.852 -4.250 9.899 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.191 -5.719 6.395 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.375 -6.694 7.273 1.00 0.00 H new ATOM 496 N GLY A 35 4.644 -6.135 6.532 1.00 0.00 N ATOM 497 CA GLY A 35 5.040 -7.319 5.707 1.00 0.00 C ATOM 498 C GLY A 35 4.867 -7.016 4.216 1.00 0.00 C ATOM 499 O GLY A 35 3.858 -7.344 3.626 1.00 0.00 O ATOM 0 H GLY A 35 4.164 -5.392 6.024 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.078 -7.582 5.913 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.432 -8.181 5.982 1.00 0.00 H new ATOM 503 N VAL A 36 5.857 -6.414 3.603 1.00 0.00 N ATOM 504 CA VAL A 36 5.780 -6.106 2.148 1.00 0.00 C ATOM 505 C VAL A 36 7.054 -6.592 1.461 1.00 0.00 C ATOM 506 O VAL A 36 8.041 -5.892 1.344 1.00 0.00 O ATOM 507 CB VAL A 36 5.650 -4.588 2.037 1.00 0.00 C ATOM 508 CG1 VAL A 36 5.879 -4.158 0.585 1.00 0.00 C ATOM 509 CG2 VAL A 36 4.248 -4.169 2.466 1.00 0.00 C ATOM 0 H VAL A 36 6.722 -6.121 4.057 1.00 0.00 H new ATOM 0 HA VAL A 36 4.935 -6.600 1.669 1.00 0.00 H new ATOM 0 HB VAL A 36 6.391 -4.114 2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.786 -3.075 0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.878 -4.460 0.269 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.137 -4.633 -0.056 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.152 -3.086 2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.512 -4.646 1.819 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.077 -4.475 3.498 1.00 0.00 H new ATOM 519 N HIS A 37 7.013 -7.798 1.015 1.00 0.00 N ATOM 520 CA HIS A 37 8.193 -8.405 0.314 1.00 0.00 C ATOM 521 C HIS A 37 8.471 -7.683 -1.027 1.00 0.00 C ATOM 522 O HIS A 37 9.519 -7.850 -1.615 1.00 0.00 O ATOM 523 CB HIS A 37 7.819 -9.878 0.068 1.00 0.00 C ATOM 524 CG HIS A 37 7.375 -10.533 1.356 1.00 0.00 C ATOM 525 ND1 HIS A 37 8.213 -11.346 2.102 1.00 0.00 N ATOM 526 CD2 HIS A 37 6.177 -10.513 2.033 1.00 0.00 C ATOM 527 CE1 HIS A 37 7.516 -11.778 3.170 1.00 0.00 C ATOM 528 NE2 HIS A 37 6.271 -11.300 3.176 1.00 0.00 N ATOM 0 H HIS A 37 6.205 -8.414 1.100 1.00 0.00 H new ATOM 0 HA HIS A 37 9.100 -8.313 0.911 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.021 -9.938 -0.672 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.675 -10.413 -0.343 1.00 0.00 H new ATOM 0 HD2 HIS A 37 5.297 -9.969 1.724 1.00 0.00 H new ATOM 0 HE1 HIS A 37 7.917 -12.432 3.930 1.00 0.00 H new ATOM 0 HE2 HIS A 37 5.544 -11.474 3.870 1.00 0.00 H new ATOM 536 N HIS A 38 7.549 -6.873 -1.509 1.00 0.00 N ATOM 537 CA HIS A 38 7.775 -6.138 -2.799 1.00 0.00 C ATOM 538 C HIS A 38 6.973 -4.815 -2.813 1.00 0.00 C ATOM 539 O HIS A 38 5.789 -4.778 -2.516 1.00 0.00 O ATOM 540 CB HIS A 38 7.365 -7.127 -3.908 1.00 0.00 C ATOM 541 CG HIS A 38 6.767 -6.400 -5.071 1.00 0.00 C ATOM 542 ND1 HIS A 38 7.354 -6.362 -6.327 1.00 0.00 N ATOM 543 CD2 HIS A 38 5.617 -5.686 -5.170 1.00 0.00 C ATOM 544 CE1 HIS A 38 6.545 -5.635 -7.123 1.00 0.00 C ATOM 545 NE2 HIS A 38 5.467 -5.200 -6.463 1.00 0.00 N ATOM 0 H HIS A 38 6.650 -6.691 -1.063 1.00 0.00 H new ATOM 0 HA HIS A 38 8.811 -5.832 -2.944 1.00 0.00 H new ATOM 0 HB2 HIS A 38 8.236 -7.694 -4.236 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.647 -7.846 -3.514 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.920 -5.520 -4.362 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.743 -5.429 -8.165 1.00 0.00 H new ATOM 0 HE2 HIS A 38 4.701 -4.634 -6.829 1.00 0.00 H new ATOM 553 N ILE A 39 7.659 -3.732 -3.114 1.00 0.00 N ATOM 554 CA ILE A 39 7.046 -2.368 -3.127 1.00 0.00 C ATOM 555 C ILE A 39 7.171 -1.693 -4.515 1.00 0.00 C ATOM 556 O ILE A 39 8.216 -1.744 -5.134 1.00 0.00 O ATOM 557 CB ILE A 39 7.937 -1.594 -2.139 1.00 0.00 C ATOM 558 CG1 ILE A 39 7.439 -1.801 -0.724 1.00 0.00 C ATOM 559 CG2 ILE A 39 7.914 -0.097 -2.452 1.00 0.00 C ATOM 560 CD1 ILE A 39 5.953 -1.492 -0.690 1.00 0.00 C ATOM 0 H ILE A 39 8.649 -3.743 -3.358 1.00 0.00 H new ATOM 0 HA ILE A 39 5.984 -2.394 -2.883 1.00 0.00 H new ATOM 0 HB ILE A 39 8.956 -1.969 -2.236 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.621 -2.827 -0.404 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.977 -1.152 -0.033 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.550 0.433 -1.743 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.283 0.069 -3.464 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.893 0.276 -2.373 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.575 -1.635 0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.789 -0.459 -0.996 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.427 -2.160 -1.372 1.00 0.00 H new ATOM 572 N LYS A 40 6.149 -1.009 -4.983 1.00 0.00 N ATOM 573 CA LYS A 40 6.270 -0.284 -6.287 1.00 0.00 C ATOM 574 C LYS A 40 5.522 1.059 -6.205 1.00 0.00 C ATOM 575 O LYS A 40 4.386 1.174 -6.641 1.00 0.00 O ATOM 576 CB LYS A 40 5.639 -1.194 -7.339 1.00 0.00 C ATOM 577 CG LYS A 40 6.018 -0.697 -8.745 1.00 0.00 C ATOM 578 CD LYS A 40 4.846 0.084 -9.364 1.00 0.00 C ATOM 579 CE LYS A 40 5.364 1.367 -10.032 1.00 0.00 C ATOM 580 NZ LYS A 40 4.680 2.493 -9.323 1.00 0.00 N ATOM 0 H LYS A 40 5.244 -0.923 -4.520 1.00 0.00 H new ATOM 0 HA LYS A 40 7.308 -0.064 -6.537 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.981 -2.219 -7.200 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.555 -1.202 -7.225 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.900 -0.059 -8.688 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.277 -1.544 -9.381 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.332 -0.536 -10.098 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.117 0.334 -8.593 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.447 1.447 -9.941 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.132 1.376 -11.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.308 3.322 -9.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.802 2.737 -9.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.454 2.204 -8.350 1.00 0.00 H new ATOM 594 N VAL A 41 6.148 2.080 -5.668 1.00 0.00 N ATOM 595 CA VAL A 41 5.472 3.406 -5.573 1.00 0.00 C ATOM 596 C VAL A 41 6.094 4.364 -6.591 1.00 0.00 C ATOM 597 O VAL A 41 7.217 4.183 -7.024 1.00 0.00 O ATOM 598 CB VAL A 41 5.701 3.911 -4.140 1.00 0.00 C ATOM 599 CG1 VAL A 41 4.834 5.153 -3.893 1.00 0.00 C ATOM 600 CG2 VAL A 41 5.312 2.828 -3.128 1.00 0.00 C ATOM 0 H VAL A 41 7.096 2.049 -5.293 1.00 0.00 H new ATOM 0 HA VAL A 41 4.406 3.337 -5.788 1.00 0.00 H new ATOM 0 HB VAL A 41 6.756 4.157 -4.019 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.995 5.513 -2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.107 5.934 -4.602 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.783 4.895 -4.024 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.479 3.198 -2.117 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.259 2.575 -3.253 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.921 1.939 -3.294 1.00 0.00 H new ATOM 610 N SER A 42 5.366 5.371 -7.000 1.00 0.00 N ATOM 611 CA SER A 42 5.906 6.315 -8.005 1.00 0.00 C ATOM 612 C SER A 42 5.261 7.692 -7.833 1.00 0.00 C ATOM 613 O SER A 42 4.220 7.980 -8.389 1.00 0.00 O ATOM 614 CB SER A 42 5.541 5.692 -9.351 1.00 0.00 C ATOM 615 OG SER A 42 6.087 4.370 -9.431 1.00 0.00 O ATOM 0 H SER A 42 4.420 5.575 -6.677 1.00 0.00 H new ATOM 0 HA SER A 42 6.981 6.468 -7.910 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.458 5.657 -9.465 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.927 6.306 -10.164 1.00 0.00 H new ATOM 0 HG SER A 42 6.838 4.288 -8.807 1.00 0.00 H new ATOM 621 N LEU A 43 5.883 8.522 -7.040 1.00 0.00 N ATOM 622 CA LEU A 43 5.365 9.910 -6.756 1.00 0.00 C ATOM 623 C LEU A 43 4.587 10.502 -7.941 1.00 0.00 C ATOM 624 O LEU A 43 3.462 10.952 -7.784 1.00 0.00 O ATOM 625 CB LEU A 43 6.624 10.749 -6.482 1.00 0.00 C ATOM 626 CG LEU A 43 6.321 11.887 -5.489 1.00 0.00 C ATOM 627 CD1 LEU A 43 5.486 11.384 -4.311 1.00 0.00 C ATOM 628 CD2 LEU A 43 7.633 12.439 -4.934 1.00 0.00 C ATOM 0 H LEU A 43 6.754 8.297 -6.560 1.00 0.00 H new ATOM 0 HA LEU A 43 4.664 9.898 -5.921 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.411 10.111 -6.081 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.998 11.167 -7.417 1.00 0.00 H new ATOM 0 HG LEU A 43 5.765 12.658 -6.023 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.288 12.209 -3.627 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.542 10.983 -4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.032 10.601 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.420 13.244 -4.231 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.175 11.644 -4.422 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.241 12.823 -5.753 1.00 0.00 H new ATOM 640 N GLU A 44 5.162 10.531 -9.122 1.00 0.00 N ATOM 641 CA GLU A 44 4.417 11.131 -10.270 1.00 0.00 C ATOM 642 C GLU A 44 3.371 10.182 -10.837 1.00 0.00 C ATOM 643 O GLU A 44 2.283 10.607 -11.179 1.00 0.00 O ATOM 644 CB GLU A 44 5.457 11.538 -11.315 1.00 0.00 C ATOM 645 CG GLU A 44 5.230 13.012 -11.715 1.00 0.00 C ATOM 646 CD GLU A 44 4.927 13.880 -10.477 1.00 0.00 C ATOM 647 OE1 GLU A 44 3.758 13.993 -10.112 1.00 0.00 O ATOM 648 OE2 GLU A 44 5.866 14.418 -9.917 1.00 0.00 O ATOM 0 H GLU A 44 6.093 10.173 -9.335 1.00 0.00 H new ATOM 0 HA GLU A 44 3.853 12.003 -9.940 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.462 11.409 -10.914 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.379 10.895 -12.192 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.114 13.395 -12.224 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.402 13.078 -12.421 1.00 0.00 H new ATOM 655 N GLU A 45 3.649 8.917 -10.887 1.00 0.00 N ATOM 656 CA GLU A 45 2.618 7.952 -11.384 1.00 0.00 C ATOM 657 C GLU A 45 1.363 8.042 -10.490 1.00 0.00 C ATOM 658 O GLU A 45 0.305 7.567 -10.852 1.00 0.00 O ATOM 659 CB GLU A 45 3.270 6.571 -11.261 1.00 0.00 C ATOM 660 CG GLU A 45 2.512 5.547 -12.115 1.00 0.00 C ATOM 661 CD GLU A 45 3.107 4.151 -11.890 1.00 0.00 C ATOM 662 OE1 GLU A 45 2.943 3.621 -10.797 1.00 0.00 O ATOM 663 OE2 GLU A 45 3.721 3.637 -12.808 1.00 0.00 O ATOM 0 H GLU A 45 4.538 8.502 -10.609 1.00 0.00 H new ATOM 0 HA GLU A 45 2.307 8.157 -12.408 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.311 6.623 -11.581 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.273 6.254 -10.218 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.454 5.550 -11.851 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.578 5.817 -13.169 1.00 0.00 H new ATOM 670 N LYS A 46 1.485 8.654 -9.320 1.00 0.00 N ATOM 671 CA LYS A 46 0.316 8.784 -8.384 1.00 0.00 C ATOM 672 C LYS A 46 -0.296 7.400 -8.120 1.00 0.00 C ATOM 673 O LYS A 46 -1.483 7.182 -8.280 1.00 0.00 O ATOM 674 CB LYS A 46 -0.675 9.730 -9.088 1.00 0.00 C ATOM 675 CG LYS A 46 -1.057 10.897 -8.157 1.00 0.00 C ATOM 676 CD LYS A 46 0.205 11.592 -7.623 1.00 0.00 C ATOM 677 CE LYS A 46 0.621 12.725 -8.570 1.00 0.00 C ATOM 678 NZ LYS A 46 1.947 12.313 -9.112 1.00 0.00 N ATOM 0 H LYS A 46 2.352 9.069 -8.978 1.00 0.00 H new ATOM 0 HA LYS A 46 0.599 9.184 -7.411 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.229 10.118 -10.004 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.570 9.179 -9.378 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.674 11.615 -8.698 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.655 10.526 -7.325 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.016 11.991 -6.626 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.016 10.870 -7.529 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.108 12.857 -9.370 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.690 13.675 -8.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.567 13.145 -9.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.379 11.612 -8.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.821 11.894 -10.056 1.00 0.00 H new ATOM 692 N ASN A 47 0.526 6.462 -7.714 1.00 0.00 N ATOM 693 CA ASN A 47 0.036 5.084 -7.427 1.00 0.00 C ATOM 694 C ASN A 47 1.149 4.268 -6.757 1.00 0.00 C ATOM 695 O ASN A 47 2.327 4.593 -6.850 1.00 0.00 O ATOM 696 CB ASN A 47 -0.324 4.485 -8.794 1.00 0.00 C ATOM 697 CG ASN A 47 -1.798 4.076 -8.810 1.00 0.00 C ATOM 698 OD1 ASN A 47 -2.117 2.912 -8.690 1.00 0.00 O ATOM 699 ND2 ASN A 47 -2.715 4.988 -8.950 1.00 0.00 N ATOM 0 H ASN A 47 1.526 6.598 -7.569 1.00 0.00 H new ATOM 0 HA ASN A 47 -0.820 5.081 -6.752 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.131 5.213 -9.582 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.305 3.619 -8.999 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -3.700 4.724 -8.959 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -2.449 5.967 -9.051 1.00 0.00 H new ATOM 706 N ALA A 48 0.789 3.217 -6.079 1.00 0.00 N ATOM 707 CA ALA A 48 1.815 2.382 -5.402 1.00 0.00 C ATOM 708 C ALA A 48 1.326 0.936 -5.325 1.00 0.00 C ATOM 709 O ALA A 48 0.338 0.646 -4.684 1.00 0.00 O ATOM 710 CB ALA A 48 1.948 2.994 -4.006 1.00 0.00 C ATOM 0 H ALA A 48 -0.174 2.900 -5.964 1.00 0.00 H new ATOM 0 HA ALA A 48 2.770 2.366 -5.927 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.689 2.437 -3.433 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.264 4.034 -4.093 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.986 2.948 -3.496 1.00 0.00 H new ATOM 716 N THR A 49 2.005 0.020 -5.958 1.00 0.00 N ATOM 717 CA THR A 49 1.556 -1.395 -5.885 1.00 0.00 C ATOM 718 C THR A 49 2.553 -2.191 -5.054 1.00 0.00 C ATOM 719 O THR A 49 3.747 -2.129 -5.263 1.00 0.00 O ATOM 720 CB THR A 49 1.426 -1.894 -7.337 1.00 0.00 C ATOM 721 OG1 THR A 49 0.613 -3.065 -7.358 1.00 0.00 O ATOM 722 CG2 THR A 49 2.797 -2.200 -7.940 1.00 0.00 C ATOM 0 H THR A 49 2.842 0.188 -6.516 1.00 0.00 H new ATOM 0 HA THR A 49 0.591 -1.512 -5.392 1.00 0.00 H new ATOM 0 HB THR A 49 0.964 -1.110 -7.936 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.655 -3.476 -8.247 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.674 -2.550 -8.965 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.406 -1.296 -7.936 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.290 -2.972 -7.350 1.00 0.00 H new ATOM 730 N ILE A 50 2.073 -2.888 -4.068 1.00 0.00 N ATOM 731 CA ILE A 50 2.993 -3.643 -3.170 1.00 0.00 C ATOM 732 C ILE A 50 2.396 -4.999 -2.809 1.00 0.00 C ATOM 733 O ILE A 50 1.213 -5.232 -2.975 1.00 0.00 O ATOM 734 CB ILE A 50 3.102 -2.764 -1.909 1.00 0.00 C ATOM 735 CG1 ILE A 50 1.789 -2.832 -1.118 1.00 0.00 C ATOM 736 CG2 ILE A 50 3.367 -1.306 -2.305 1.00 0.00 C ATOM 737 CD1 ILE A 50 1.895 -3.913 -0.039 1.00 0.00 C ATOM 0 H ILE A 50 1.082 -2.970 -3.842 1.00 0.00 H new ATOM 0 HA ILE A 50 3.959 -3.836 -3.636 1.00 0.00 H new ATOM 0 HB ILE A 50 3.925 -3.131 -1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.578 -1.866 -0.660 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.959 -3.054 -1.789 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.442 -0.693 -1.407 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.300 -1.245 -2.865 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.547 -0.943 -2.925 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.962 -3.960 0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.085 -4.878 -0.508 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.714 -3.672 0.639 1.00 0.00 H new ATOM 749 N ILE A 51 3.189 -5.896 -2.305 1.00 0.00 N ATOM 750 CA ILE A 51 2.643 -7.207 -1.921 1.00 0.00 C ATOM 751 C ILE A 51 2.725 -7.376 -0.404 1.00 0.00 C ATOM 752 O ILE A 51 3.282 -6.551 0.295 1.00 0.00 O ATOM 753 CB ILE A 51 3.492 -8.239 -2.665 1.00 0.00 C ATOM 754 CG1 ILE A 51 4.853 -8.387 -1.992 1.00 0.00 C ATOM 755 CG2 ILE A 51 3.678 -7.839 -4.130 1.00 0.00 C ATOM 756 CD1 ILE A 51 4.771 -9.481 -0.934 1.00 0.00 C ATOM 0 H ILE A 51 4.189 -5.773 -2.145 1.00 0.00 H new ATOM 0 HA ILE A 51 1.591 -7.321 -2.184 1.00 0.00 H new ATOM 0 HB ILE A 51 2.969 -9.195 -2.631 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.613 -8.636 -2.732 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.151 -7.443 -1.535 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.285 -8.589 -4.638 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.704 -7.771 -4.615 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.177 -6.872 -4.182 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.741 -9.592 -0.449 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.022 -9.212 -0.189 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.492 -10.423 -1.406 1.00 0.00 H new ATOM 768 N TYR A 52 2.147 -8.420 0.112 1.00 0.00 N ATOM 769 CA TYR A 52 2.159 -8.623 1.588 1.00 0.00 C ATOM 770 C TYR A 52 1.806 -10.070 1.945 1.00 0.00 C ATOM 771 O TYR A 52 1.335 -10.834 1.121 1.00 0.00 O ATOM 772 CB TYR A 52 1.090 -7.652 2.116 1.00 0.00 C ATOM 773 CG TYR A 52 -0.238 -7.925 1.434 1.00 0.00 C ATOM 774 CD1 TYR A 52 -0.429 -7.559 0.092 1.00 0.00 C ATOM 775 CD2 TYR A 52 -1.267 -8.557 2.137 1.00 0.00 C ATOM 776 CE1 TYR A 52 -1.638 -7.822 -0.537 1.00 0.00 C ATOM 777 CE2 TYR A 52 -2.487 -8.818 1.502 1.00 0.00 C ATOM 778 CZ TYR A 52 -2.673 -8.452 0.165 1.00 0.00 C ATOM 779 OH TYR A 52 -3.875 -8.717 -0.459 1.00 0.00 O ATOM 0 H TYR A 52 1.666 -9.143 -0.422 1.00 0.00 H new ATOM 0 HA TYR A 52 3.141 -8.437 2.023 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.985 -7.765 3.195 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.398 -6.623 1.932 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.367 -7.072 -0.452 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.121 -8.844 3.168 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.781 -7.540 -1.570 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.285 -9.302 2.045 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.387 -9.359 0.076 1.00 0.00 H new ATOM 789 N ASP A 53 2.026 -10.446 3.174 1.00 0.00 N ATOM 790 CA ASP A 53 1.703 -11.836 3.601 1.00 0.00 C ATOM 791 C ASP A 53 0.247 -11.926 4.078 1.00 0.00 C ATOM 792 O ASP A 53 -0.140 -11.248 5.017 1.00 0.00 O ATOM 793 CB ASP A 53 2.672 -12.132 4.753 1.00 0.00 C ATOM 794 CG ASP A 53 3.314 -13.509 4.561 1.00 0.00 C ATOM 795 OD1 ASP A 53 2.811 -14.284 3.756 1.00 0.00 O ATOM 796 OD2 ASP A 53 4.291 -13.782 5.231 1.00 0.00 O ATOM 0 H ASP A 53 2.417 -9.849 3.903 1.00 0.00 H new ATOM 0 HA ASP A 53 1.808 -12.552 2.786 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.445 -11.365 4.794 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.140 -12.100 5.704 1.00 0.00 H new ATOM 801 N PRO A 54 -0.512 -12.787 3.435 1.00 0.00 N ATOM 802 CA PRO A 54 -1.934 -12.986 3.826 1.00 0.00 C ATOM 803 C PRO A 54 -1.979 -13.577 5.236 1.00 0.00 C ATOM 804 O PRO A 54 -2.892 -13.334 6.002 1.00 0.00 O ATOM 805 CB PRO A 54 -2.462 -13.963 2.773 1.00 0.00 C ATOM 806 CG PRO A 54 -1.243 -14.669 2.270 1.00 0.00 C ATOM 807 CD PRO A 54 -0.130 -13.658 2.315 1.00 0.00 C ATOM 0 HA PRO A 54 -2.529 -12.073 3.856 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.176 -14.664 3.205 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.977 -13.439 1.968 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.009 -15.534 2.890 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.396 -15.036 1.255 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.837 -14.131 2.485 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -0.053 -13.102 1.381 1.00 0.00 H new ATOM 815 N LYS A 55 -0.965 -14.325 5.586 1.00 0.00 N ATOM 816 CA LYS A 55 -0.879 -14.923 6.952 1.00 0.00 C ATOM 817 C LYS A 55 -0.431 -13.863 7.983 1.00 0.00 C ATOM 818 O LYS A 55 -0.403 -14.122 9.171 1.00 0.00 O ATOM 819 CB LYS A 55 0.173 -16.040 6.833 1.00 0.00 C ATOM 820 CG LYS A 55 1.459 -15.497 6.183 1.00 0.00 C ATOM 821 CD LYS A 55 2.630 -16.435 6.496 1.00 0.00 C ATOM 822 CE LYS A 55 2.929 -17.318 5.278 1.00 0.00 C ATOM 823 NZ LYS A 55 3.810 -16.487 4.405 1.00 0.00 N ATOM 0 H LYS A 55 -0.181 -14.550 4.974 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.842 -15.302 7.293 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.399 -16.443 7.820 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.225 -16.861 6.237 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.326 -15.413 5.104 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.672 -14.496 6.557 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.513 -15.853 6.760 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.389 -17.058 7.358 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.425 -18.243 5.573 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.012 -17.599 4.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.313 -17.102 3.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.231 -15.801 3.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.501 -15.979 4.993 1.00 0.00 H new ATOM 837 N LEU A 56 -0.071 -12.678 7.537 1.00 0.00 N ATOM 838 CA LEU A 56 0.382 -11.616 8.489 1.00 0.00 C ATOM 839 C LEU A 56 -0.564 -10.400 8.457 1.00 0.00 C ATOM 840 O LEU A 56 -0.963 -9.900 9.491 1.00 0.00 O ATOM 841 CB LEU A 56 1.784 -11.233 8.006 1.00 0.00 C ATOM 842 CG LEU A 56 2.587 -10.650 9.168 1.00 0.00 C ATOM 843 CD1 LEU A 56 4.031 -11.133 9.080 1.00 0.00 C ATOM 844 CD2 LEU A 56 2.565 -9.124 9.089 1.00 0.00 C ATOM 0 H LEU A 56 -0.073 -12.404 6.554 1.00 0.00 H new ATOM 0 HA LEU A 56 0.383 -11.966 9.521 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.292 -12.109 7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.715 -10.505 7.198 1.00 0.00 H new ATOM 0 HG LEU A 56 2.146 -10.975 10.110 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.605 -10.718 9.909 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.054 -12.222 9.132 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.467 -10.806 8.136 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.138 -8.708 9.918 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.006 -8.802 8.146 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.535 -8.771 9.147 1.00 0.00 H new ATOM 856 N GLN A 57 -0.923 -9.918 7.287 1.00 0.00 N ATOM 857 CA GLN A 57 -1.842 -8.734 7.214 1.00 0.00 C ATOM 858 C GLN A 57 -2.718 -8.795 5.952 1.00 0.00 C ATOM 859 O GLN A 57 -2.702 -9.767 5.220 1.00 0.00 O ATOM 860 CB GLN A 57 -0.912 -7.512 7.173 1.00 0.00 C ATOM 861 CG GLN A 57 -0.596 -7.042 8.601 1.00 0.00 C ATOM 862 CD GLN A 57 -1.890 -6.880 9.398 1.00 0.00 C ATOM 863 OE1 GLN A 57 -2.616 -5.927 9.214 1.00 0.00 O ATOM 864 NE2 GLN A 57 -2.224 -7.786 10.266 1.00 0.00 N ATOM 0 H GLN A 57 -0.622 -10.290 6.386 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.528 -8.699 8.060 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.011 -7.765 6.652 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -1.383 -6.705 6.612 1.00 0.00 H new ATOM 0 HG2 GLN A 57 0.056 -7.763 9.094 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.058 -6.095 8.570 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.616 -8.590 10.424 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.094 -7.694 10.790 1.00 0.00 H new ATOM 873 N THR A 58 -3.487 -7.765 5.693 1.00 0.00 N ATOM 874 CA THR A 58 -4.367 -7.768 4.480 1.00 0.00 C ATOM 875 C THR A 58 -4.441 -6.356 3.892 1.00 0.00 C ATOM 876 O THR A 58 -3.902 -5.423 4.461 1.00 0.00 O ATOM 877 CB THR A 58 -5.770 -8.210 4.963 1.00 0.00 C ATOM 878 OG1 THR A 58 -6.535 -7.063 5.330 1.00 0.00 O ATOM 879 CG2 THR A 58 -5.664 -9.154 6.164 1.00 0.00 C ATOM 0 H THR A 58 -3.544 -6.924 6.267 1.00 0.00 H new ATOM 0 HA THR A 58 -3.983 -8.436 3.709 1.00 0.00 H new ATOM 0 HB THR A 58 -6.261 -8.739 4.147 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.357 -7.349 5.781 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.663 -9.450 6.484 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.096 -10.041 5.881 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.157 -8.645 6.983 1.00 0.00 H new ATOM 887 N PRO A 59 -5.130 -6.228 2.784 1.00 0.00 N ATOM 888 CA PRO A 59 -5.291 -4.893 2.156 1.00 0.00 C ATOM 889 C PRO A 59 -6.175 -3.978 3.032 1.00 0.00 C ATOM 890 O PRO A 59 -6.295 -2.796 2.768 1.00 0.00 O ATOM 891 CB PRO A 59 -5.943 -5.204 0.812 1.00 0.00 C ATOM 892 CG PRO A 59 -6.626 -6.519 1.008 1.00 0.00 C ATOM 893 CD PRO A 59 -5.815 -7.282 2.019 1.00 0.00 C ATOM 0 HA PRO A 59 -4.351 -4.354 2.041 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -6.654 -4.428 0.530 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.200 -5.260 0.016 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -7.647 -6.376 1.360 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -6.687 -7.067 0.068 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.448 -7.895 2.660 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.104 -7.954 1.538 1.00 0.00 H new ATOM 901 N LYS A 60 -6.765 -4.503 4.087 1.00 0.00 N ATOM 902 CA LYS A 60 -7.610 -3.657 4.994 1.00 0.00 C ATOM 903 C LYS A 60 -6.699 -2.793 5.878 1.00 0.00 C ATOM 904 O LYS A 60 -6.959 -1.633 6.132 1.00 0.00 O ATOM 905 CB LYS A 60 -8.392 -4.659 5.851 1.00 0.00 C ATOM 906 CG LYS A 60 -9.743 -4.061 6.247 1.00 0.00 C ATOM 907 CD LYS A 60 -9.809 -3.897 7.769 1.00 0.00 C ATOM 908 CE LYS A 60 -8.981 -2.682 8.207 1.00 0.00 C ATOM 909 NZ LYS A 60 -9.603 -1.503 7.534 1.00 0.00 N ATOM 0 H LYS A 60 -6.696 -5.484 4.357 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.273 -2.985 4.450 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.543 -5.585 5.297 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.820 -4.911 6.744 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.880 -3.095 5.761 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.552 -4.707 5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.845 -3.773 8.084 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.433 -4.797 8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.998 -2.568 9.291 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.937 -2.794 7.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.635 -0.702 8.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.038 -1.241 6.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.570 -1.744 7.235 1.00 0.00 H new ATOM 923 N THR A 61 -5.604 -3.354 6.308 1.00 0.00 N ATOM 924 CA THR A 61 -4.621 -2.595 7.134 1.00 0.00 C ATOM 925 C THR A 61 -3.614 -1.953 6.186 1.00 0.00 C ATOM 926 O THR A 61 -2.968 -0.981 6.509 1.00 0.00 O ATOM 927 CB THR A 61 -3.945 -3.618 8.056 1.00 0.00 C ATOM 928 OG1 THR A 61 -4.047 -4.919 7.498 1.00 0.00 O ATOM 929 CG2 THR A 61 -4.629 -3.604 9.423 1.00 0.00 C ATOM 0 H THR A 61 -5.343 -4.322 6.119 1.00 0.00 H new ATOM 0 HA THR A 61 -5.081 -1.809 7.732 1.00 0.00 H new ATOM 0 HB THR A 61 -2.893 -3.354 8.165 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.620 -5.566 8.097 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.148 -4.331 10.078 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.545 -2.610 9.862 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.682 -3.861 9.306 1.00 0.00 H new ATOM 937 N LEU A 62 -3.532 -2.472 4.982 1.00 0.00 N ATOM 938 CA LEU A 62 -2.634 -1.879 3.957 1.00 0.00 C ATOM 939 C LEU A 62 -3.260 -0.550 3.537 1.00 0.00 C ATOM 940 O LEU A 62 -2.583 0.432 3.296 1.00 0.00 O ATOM 941 CB LEU A 62 -2.637 -2.888 2.802 1.00 0.00 C ATOM 942 CG LEU A 62 -1.206 -3.193 2.356 1.00 0.00 C ATOM 943 CD1 LEU A 62 -0.828 -4.609 2.801 1.00 0.00 C ATOM 944 CD2 LEU A 62 -1.129 -3.108 0.830 1.00 0.00 C ATOM 0 H LEU A 62 -4.057 -3.289 4.670 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.615 -1.691 4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.131 -3.808 3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.209 -2.489 1.964 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.520 -2.473 2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.191 -4.830 2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.894 -4.679 3.887 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.512 -5.327 2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.111 -3.324 0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.813 -3.834 0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.408 -2.105 0.507 1.00 0.00 H new ATOM 956 N GLN A 63 -4.571 -0.503 3.525 1.00 0.00 N ATOM 957 CA GLN A 63 -5.262 0.778 3.202 1.00 0.00 C ATOM 958 C GLN A 63 -5.281 1.616 4.478 1.00 0.00 C ATOM 959 O GLN A 63 -5.177 2.822 4.449 1.00 0.00 O ATOM 960 CB GLN A 63 -6.679 0.406 2.757 1.00 0.00 C ATOM 961 CG GLN A 63 -7.280 1.584 1.981 1.00 0.00 C ATOM 962 CD GLN A 63 -8.508 1.126 1.189 1.00 0.00 C ATOM 963 OE1 GLN A 63 -8.563 1.281 -0.014 1.00 0.00 O ATOM 964 NE2 GLN A 63 -9.500 0.564 1.810 1.00 0.00 N ATOM 0 H GLN A 63 -5.186 -1.292 3.724 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.771 1.350 2.414 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.656 -0.486 2.131 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.297 0.171 3.624 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.560 2.379 2.672 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -6.535 1.999 1.302 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -9.460 0.431 2.820 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -10.320 0.255 1.287 1.00 0.00 H new ATOM 973 N GLU A 64 -5.330 0.955 5.608 1.00 0.00 N ATOM 974 CA GLU A 64 -5.279 1.672 6.916 1.00 0.00 C ATOM 975 C GLU A 64 -3.848 2.152 7.147 1.00 0.00 C ATOM 976 O GLU A 64 -3.594 3.061 7.908 1.00 0.00 O ATOM 977 CB GLU A 64 -5.687 0.638 7.963 1.00 0.00 C ATOM 978 CG GLU A 64 -7.022 1.049 8.587 1.00 0.00 C ATOM 979 CD GLU A 64 -7.588 -0.095 9.435 1.00 0.00 C ATOM 980 OE1 GLU A 64 -6.816 -0.924 9.899 1.00 0.00 O ATOM 981 OE2 GLU A 64 -8.798 -0.129 9.595 1.00 0.00 O ATOM 0 H GLU A 64 -5.404 -0.060 5.679 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.935 2.542 6.957 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.775 -0.346 7.503 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.920 0.562 8.734 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.884 1.936 9.206 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.731 1.315 7.803 1.00 0.00 H new ATOM 988 N ALA A 65 -2.923 1.576 6.430 1.00 0.00 N ATOM 989 CA ALA A 65 -1.503 2.013 6.521 1.00 0.00 C ATOM 990 C ALA A 65 -1.330 3.159 5.533 1.00 0.00 C ATOM 991 O ALA A 65 -0.491 4.028 5.692 1.00 0.00 O ATOM 992 CB ALA A 65 -0.668 0.798 6.109 1.00 0.00 C ATOM 0 H ALA A 65 -3.094 0.811 5.777 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.204 2.352 7.513 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.391 1.052 6.154 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.872 -0.030 6.787 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.928 0.506 5.092 1.00 0.00 H new ATOM 998 N ILE A 66 -2.175 3.183 4.529 1.00 0.00 N ATOM 999 CA ILE A 66 -2.130 4.291 3.535 1.00 0.00 C ATOM 1000 C ILE A 66 -2.989 5.431 4.082 1.00 0.00 C ATOM 1001 O ILE A 66 -2.605 6.591 4.046 1.00 0.00 O ATOM 1002 CB ILE A 66 -2.714 3.712 2.237 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -1.575 3.236 1.330 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -3.529 4.780 1.504 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -0.763 4.437 0.832 1.00 0.00 C ATOM 0 H ILE A 66 -2.894 2.479 4.359 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.128 4.678 3.349 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.363 2.873 2.486 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.927 2.550 1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.981 2.684 0.482 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.938 4.359 0.586 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.345 5.118 2.143 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.885 5.625 1.260 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.044 4.088 0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.413 5.107 0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.343 4.971 1.684 1.00 0.00 H new ATOM 1017 N ASP A 67 -4.130 5.089 4.639 1.00 0.00 N ATOM 1018 CA ASP A 67 -5.008 6.132 5.246 1.00 0.00 C ATOM 1019 C ASP A 67 -4.245 6.782 6.412 1.00 0.00 C ATOM 1020 O ASP A 67 -4.387 7.957 6.691 1.00 0.00 O ATOM 1021 CB ASP A 67 -6.252 5.379 5.744 1.00 0.00 C ATOM 1022 CG ASP A 67 -7.347 5.418 4.673 1.00 0.00 C ATOM 1023 OD1 ASP A 67 -7.234 4.678 3.708 1.00 0.00 O ATOM 1024 OD2 ASP A 67 -8.281 6.185 4.837 1.00 0.00 O ATOM 0 H ASP A 67 -4.486 4.135 4.697 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.292 6.921 4.550 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.994 4.346 5.976 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.617 5.831 6.666 1.00 0.00 H new ATOM 1029 N ASP A 68 -3.402 6.014 7.073 1.00 0.00 N ATOM 1030 CA ASP A 68 -2.589 6.569 8.200 1.00 0.00 C ATOM 1031 C ASP A 68 -1.445 7.435 7.638 1.00 0.00 C ATOM 1032 O ASP A 68 -1.115 8.472 8.181 1.00 0.00 O ATOM 1033 CB ASP A 68 -2.048 5.326 8.924 1.00 0.00 C ATOM 1034 CG ASP A 68 -0.971 5.716 9.940 1.00 0.00 C ATOM 1035 OD1 ASP A 68 -1.329 6.213 10.994 1.00 0.00 O ATOM 1036 OD2 ASP A 68 0.198 5.499 9.646 1.00 0.00 O ATOM 0 H ASP A 68 -3.245 5.025 6.876 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.161 7.210 8.871 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.864 4.811 9.431 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.633 4.628 8.197 1.00 0.00 H new ATOM 1041 N MET A 69 -0.848 7.010 6.547 1.00 0.00 N ATOM 1042 CA MET A 69 0.276 7.787 5.922 1.00 0.00 C ATOM 1043 C MET A 69 -0.132 9.245 5.652 1.00 0.00 C ATOM 1044 O MET A 69 0.600 10.169 5.960 1.00 0.00 O ATOM 1045 CB MET A 69 0.569 7.070 4.601 1.00 0.00 C ATOM 1046 CG MET A 69 2.077 6.886 4.447 1.00 0.00 C ATOM 1047 SD MET A 69 2.884 8.503 4.444 1.00 0.00 S ATOM 1048 CE MET A 69 3.840 8.274 5.960 1.00 0.00 C ATOM 0 H MET A 69 -1.093 6.149 6.058 1.00 0.00 H new ATOM 0 HA MET A 69 1.145 7.826 6.579 1.00 0.00 H new ATOM 0 HB2 MET A 69 0.070 6.101 4.582 1.00 0.00 H new ATOM 0 HB3 MET A 69 0.175 7.648 3.765 1.00 0.00 H new ATOM 0 HG2 MET A 69 2.465 6.276 5.263 1.00 0.00 H new ATOM 0 HG3 MET A 69 2.297 6.356 3.520 1.00 0.00 H new ATOM 0 HE1 MET A 69 3.971 9.236 6.456 1.00 0.00 H new ATOM 0 HE2 MET A 69 3.310 7.592 6.625 1.00 0.00 H new ATOM 0 HE3 MET A 69 4.816 7.856 5.715 1.00 0.00 H new ATOM 1058 N GLY A 70 -1.291 9.459 5.080 1.00 0.00 N ATOM 1059 CA GLY A 70 -1.744 10.862 4.796 1.00 0.00 C ATOM 1060 C GLY A 70 -1.951 11.074 3.292 1.00 0.00 C ATOM 1061 O GLY A 70 -1.707 12.147 2.774 1.00 0.00 O ATOM 0 H GLY A 70 -1.943 8.728 4.797 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -2.674 11.063 5.327 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.004 11.570 5.169 1.00 0.00 H new ATOM 1065 N PHE A 71 -2.410 10.069 2.590 1.00 0.00 N ATOM 1066 CA PHE A 71 -2.647 10.216 1.120 1.00 0.00 C ATOM 1067 C PHE A 71 -3.942 9.484 0.730 1.00 0.00 C ATOM 1068 O PHE A 71 -4.200 8.383 1.182 1.00 0.00 O ATOM 1069 CB PHE A 71 -1.434 9.566 0.441 1.00 0.00 C ATOM 1070 CG PHE A 71 -0.177 10.363 0.727 1.00 0.00 C ATOM 1071 CD1 PHE A 71 0.185 11.426 -0.105 1.00 0.00 C ATOM 1072 CD2 PHE A 71 0.632 10.027 1.819 1.00 0.00 C ATOM 1073 CE1 PHE A 71 1.354 12.153 0.155 1.00 0.00 C ATOM 1074 CE2 PHE A 71 1.798 10.751 2.079 1.00 0.00 C ATOM 1075 CZ PHE A 71 2.161 11.814 1.247 1.00 0.00 C ATOM 0 H PHE A 71 -2.632 9.150 2.972 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.759 11.258 0.821 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.313 8.544 0.800 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.599 9.509 -0.635 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.437 11.687 -0.949 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.354 9.205 2.462 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.632 12.975 -0.487 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.419 10.489 2.923 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.063 12.373 1.447 1.00 0.00 H new ATOM 1085 N ASP A 72 -4.759 10.091 -0.093 1.00 0.00 N ATOM 1086 CA ASP A 72 -6.049 9.444 -0.505 1.00 0.00 C ATOM 1087 C ASP A 72 -5.802 8.069 -1.148 1.00 0.00 C ATOM 1088 O ASP A 72 -4.919 7.906 -1.973 1.00 0.00 O ATOM 1089 CB ASP A 72 -6.668 10.411 -1.523 1.00 0.00 C ATOM 1090 CG ASP A 72 -7.920 11.076 -0.939 1.00 0.00 C ATOM 1091 OD1 ASP A 72 -8.000 11.208 0.270 1.00 0.00 O ATOM 1092 OD2 ASP A 72 -8.777 11.451 -1.721 1.00 0.00 O ATOM 0 H ASP A 72 -4.590 11.011 -0.501 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.702 9.267 0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.939 11.173 -1.799 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.927 9.872 -2.435 1.00 0.00 H new ATOM 1097 N ALA A 73 -6.574 7.078 -0.769 1.00 0.00 N ATOM 1098 CA ALA A 73 -6.384 5.714 -1.350 1.00 0.00 C ATOM 1099 C ALA A 73 -7.667 5.198 -2.025 1.00 0.00 C ATOM 1100 O ALA A 73 -8.762 5.362 -1.524 1.00 0.00 O ATOM 1101 CB ALA A 73 -6.024 4.828 -0.157 1.00 0.00 C ATOM 0 H ALA A 73 -7.325 7.156 -0.084 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.616 5.716 -2.123 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.867 3.805 -0.498 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.111 5.199 0.309 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.837 4.848 0.569 1.00 0.00 H new ATOM 1107 N VAL A 74 -7.508 4.540 -3.141 1.00 0.00 N ATOM 1108 CA VAL A 74 -8.654 3.947 -3.892 1.00 0.00 C ATOM 1109 C VAL A 74 -8.067 2.805 -4.719 1.00 0.00 C ATOM 1110 O VAL A 74 -7.392 3.026 -5.713 1.00 0.00 O ATOM 1111 CB VAL A 74 -9.207 5.068 -4.789 1.00 0.00 C ATOM 1112 CG1 VAL A 74 -9.983 4.463 -5.966 1.00 0.00 C ATOM 1113 CG2 VAL A 74 -10.155 5.950 -3.974 1.00 0.00 C ATOM 0 H VAL A 74 -6.600 4.384 -3.578 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.457 3.564 -3.262 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.375 5.662 -5.168 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.371 5.263 -6.596 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.318 3.829 -6.553 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.812 3.866 -5.587 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.548 6.745 -4.608 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.980 5.346 -3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -9.614 6.389 -3.136 1.00 0.00 H new ATOM 1123 N ILE A 75 -8.189 1.593 -4.253 1.00 0.00 N ATOM 1124 CA ILE A 75 -7.523 0.477 -4.985 1.00 0.00 C ATOM 1125 C ILE A 75 -8.164 -0.903 -4.730 1.00 0.00 C ATOM 1126 O ILE A 75 -9.371 -1.043 -4.761 1.00 0.00 O ATOM 1127 CB ILE A 75 -6.072 0.506 -4.513 1.00 0.00 C ATOM 1128 CG1 ILE A 75 -5.823 1.627 -3.452 1.00 0.00 C ATOM 1129 CG2 ILE A 75 -5.241 0.707 -5.780 1.00 0.00 C ATOM 1130 CD1 ILE A 75 -6.249 1.133 -2.062 1.00 0.00 C ATOM 0 H ILE A 75 -8.709 1.329 -3.416 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.622 0.619 -6.061 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.796 -0.416 -4.002 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.769 1.903 -3.442 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.385 2.523 -3.717 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.183 0.738 -5.520 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.421 -0.119 -6.468 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.525 1.645 -6.257 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.073 1.918 -1.327 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.309 0.879 -2.075 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.668 0.250 -1.796 1.00 0.00 H new