USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 648 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 70 HIS : no HD1:sc= -0.378 X(o=-0.38,f=0.094) USER MOD Set 1.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 45 ASN : amide:sc= -0.343 K(o=-1.6,f=-3!) USER MOD Set 2.2: A 48 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 11 SER OG : rot 180:sc= -0.761 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.73 USER MOD Single : A 21 MET CE :methyl -146:sc= -7.05! (180deg=-10.7!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 59:sc= 1.26 USER MOD Single : A 33 MET CE :methyl 163:sc= -1.47 (180deg=-2.05) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 16:sc= 0.606 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.534 USER MOD Single : A 55 CYS SG : rot 80:sc= -1.12 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 123:sc= -3.78! USER MOD Single : A 71 LYS NZ :NH3+ -125:sc= -0.367! (180deg=-2.88!) USER MOD Single : A 73 ASN : amide:sc= -1.05 X(o=-1,f=-1.5!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 153:sc= -2.43! (180deg=-3.62!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.28 X(o=-0.28,f=0.0088) USER MOD ----------------------------------------------------------------- ATOM 83 N ALA A 9 8.314 3.810 -14.162 1.00 0.00 N ATOM 84 CA ALA A 9 7.352 4.889 -14.354 1.00 0.00 C ATOM 85 C ALA A 9 5.925 4.352 -14.387 1.00 0.00 C ATOM 86 O ALA A 9 5.094 4.720 -13.557 1.00 0.00 O ATOM 87 CB ALA A 9 7.661 5.651 -15.634 1.00 0.00 C ATOM 0 HA ALA A 9 7.436 5.572 -13.509 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.935 6.453 -15.764 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.663 6.075 -15.572 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.607 4.971 -16.484 1.00 0.00 H new ATOM 93 N ALA A 10 5.647 3.481 -15.351 1.00 0.00 N ATOM 94 CA ALA A 10 4.321 2.893 -15.491 1.00 0.00 C ATOM 95 C ALA A 10 4.175 1.653 -14.616 1.00 0.00 C ATOM 96 O ALA A 10 3.314 0.808 -14.859 1.00 0.00 O ATOM 97 CB ALA A 10 4.047 2.549 -16.947 1.00 0.00 C ATOM 0 H ALA A 10 6.323 3.167 -16.047 1.00 0.00 H new ATOM 0 HA ALA A 10 3.588 3.628 -15.159 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.053 2.111 -17.036 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.100 3.455 -17.551 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.792 1.835 -17.298 1.00 0.00 H new ATOM 103 N SER A 11 5.022 1.551 -13.597 1.00 0.00 N ATOM 104 CA SER A 11 4.991 0.411 -12.688 1.00 0.00 C ATOM 105 C SER A 11 4.640 0.856 -11.271 1.00 0.00 C ATOM 106 O SER A 11 4.704 2.042 -10.946 1.00 0.00 O ATOM 107 CB SER A 11 6.341 -0.308 -12.689 1.00 0.00 C ATOM 108 OG SER A 11 6.557 -0.984 -13.916 1.00 0.00 O ATOM 0 H SER A 11 5.738 2.244 -13.380 1.00 0.00 H new ATOM 0 HA SER A 11 4.221 -0.278 -13.036 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.141 0.413 -12.522 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.377 -1.021 -11.866 1.00 0.00 H new ATOM 0 HG SER A 11 7.427 -1.434 -13.893 1.00 0.00 H new ATOM 114 N LEU A 12 4.269 -0.104 -10.431 1.00 0.00 N ATOM 115 CA LEU A 12 3.908 0.186 -9.048 1.00 0.00 C ATOM 116 C LEU A 12 4.655 -0.732 -8.086 1.00 0.00 C ATOM 117 O LEU A 12 5.219 -1.747 -8.493 1.00 0.00 O ATOM 118 CB LEU A 12 2.399 0.032 -8.851 1.00 0.00 C ATOM 119 CG LEU A 12 1.514 0.918 -9.727 1.00 0.00 C ATOM 120 CD1 LEU A 12 0.178 0.242 -9.993 1.00 0.00 C ATOM 121 CD2 LEU A 12 1.304 2.276 -9.072 1.00 0.00 C ATOM 0 H LEU A 12 4.210 -1.090 -10.684 1.00 0.00 H new ATOM 0 HA LEU A 12 4.193 1.216 -8.832 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.133 -1.009 -9.036 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.166 0.240 -7.807 1.00 0.00 H new ATOM 0 HG LEU A 12 2.018 1.070 -10.681 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.438 0.888 -10.618 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.345 -0.706 -10.505 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.332 0.059 -9.047 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.672 2.894 -9.710 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.822 2.142 -8.103 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.268 2.766 -8.933 1.00 0.00 H new ATOM 133 N TRP A 13 4.653 -0.369 -6.808 1.00 0.00 N ATOM 134 CA TRP A 13 5.328 -1.161 -5.787 1.00 0.00 C ATOM 135 C TRP A 13 4.323 -1.954 -4.960 1.00 0.00 C ATOM 136 O TRP A 13 3.282 -1.431 -4.563 1.00 0.00 O ATOM 137 CB TRP A 13 6.157 -0.256 -4.875 1.00 0.00 C ATOM 138 CG TRP A 13 6.542 -0.908 -3.582 1.00 0.00 C ATOM 139 CD1 TRP A 13 7.714 -1.552 -3.306 1.00 0.00 C ATOM 140 CD2 TRP A 13 5.752 -0.980 -2.390 1.00 0.00 C ATOM 141 NE1 TRP A 13 7.700 -2.021 -2.014 1.00 0.00 N ATOM 142 CE2 TRP A 13 6.508 -1.682 -1.431 1.00 0.00 C ATOM 143 CE3 TRP A 13 4.480 -0.518 -2.039 1.00 0.00 C ATOM 144 CZ2 TRP A 13 6.032 -1.933 -0.146 1.00 0.00 C ATOM 145 CZ3 TRP A 13 4.009 -0.768 -0.764 1.00 0.00 C ATOM 146 CH2 TRP A 13 4.784 -1.469 0.170 1.00 0.00 C ATOM 0 H TRP A 13 4.191 0.469 -6.455 1.00 0.00 H new ATOM 0 HA TRP A 13 5.992 -1.865 -6.289 1.00 0.00 H new ATOM 0 HB2 TRP A 13 7.060 0.050 -5.403 1.00 0.00 H new ATOM 0 HB3 TRP A 13 5.590 0.650 -4.662 1.00 0.00 H new ATOM 0 HD1 TRP A 13 8.532 -1.675 -4.001 1.00 0.00 H new ATOM 0 HE1 TRP A 13 8.455 -2.538 -1.563 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.876 0.025 -2.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.627 -2.474 0.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 3.027 -0.417 -0.483 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.388 -1.647 1.159 1.00 0.00 H new ATOM 157 N MET A 14 4.641 -3.218 -4.702 1.00 0.00 N ATOM 158 CA MET A 14 3.764 -4.082 -3.919 1.00 0.00 C ATOM 159 C MET A 14 4.555 -4.844 -2.861 1.00 0.00 C ATOM 160 O MET A 14 5.193 -5.854 -3.155 1.00 0.00 O ATOM 161 CB MET A 14 3.034 -5.068 -4.834 1.00 0.00 C ATOM 162 CG MET A 14 1.902 -5.812 -4.146 1.00 0.00 C ATOM 163 SD MET A 14 1.126 -7.039 -5.215 1.00 0.00 S ATOM 164 CE MET A 14 -0.183 -7.638 -4.149 1.00 0.00 C ATOM 0 H MET A 14 5.499 -3.667 -5.023 1.00 0.00 H new ATOM 0 HA MET A 14 3.030 -3.452 -3.416 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.634 -4.527 -5.692 1.00 0.00 H new ATOM 0 HB3 MET A 14 3.752 -5.792 -5.220 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.286 -6.305 -3.253 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.150 -5.096 -3.816 1.00 0.00 H new ATOM 0 HE1 MET A 14 -0.755 -8.406 -4.671 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.251 -8.061 -3.243 1.00 0.00 H new ATOM 0 HE3 MET A 14 -0.843 -6.812 -3.884 1.00 0.00 H new ATOM 174 N GLY A 15 4.510 -4.352 -1.626 1.00 0.00 N ATOM 175 CA GLY A 15 5.227 -4.998 -0.543 1.00 0.00 C ATOM 176 C GLY A 15 4.331 -5.888 0.296 1.00 0.00 C ATOM 177 O GLY A 15 3.245 -6.271 -0.138 1.00 0.00 O ATOM 0 H GLY A 15 3.989 -3.517 -1.357 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.042 -5.593 -0.955 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.678 -4.238 0.094 1.00 0.00 H new ATOM 181 N ASP A 16 4.788 -6.219 1.498 1.00 0.00 N ATOM 182 CA ASP A 16 4.020 -7.071 2.400 1.00 0.00 C ATOM 183 C ASP A 16 3.630 -8.376 1.714 1.00 0.00 C ATOM 184 O ASP A 16 2.502 -8.850 1.853 1.00 0.00 O ATOM 185 CB ASP A 16 2.767 -6.340 2.883 1.00 0.00 C ATOM 186 CG ASP A 16 2.255 -6.878 4.204 1.00 0.00 C ATOM 187 OD1 ASP A 16 2.703 -6.384 5.260 1.00 0.00 O ATOM 188 OD2 ASP A 16 1.406 -7.794 4.182 1.00 0.00 O ATOM 0 H ASP A 16 5.686 -5.911 1.871 1.00 0.00 H new ATOM 0 HA ASP A 16 4.647 -7.307 3.260 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.988 -5.278 2.988 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.984 -6.430 2.130 1.00 0.00 H new ATOM 193 N LEU A 17 4.570 -8.952 0.972 1.00 0.00 N ATOM 194 CA LEU A 17 4.324 -10.203 0.263 1.00 0.00 C ATOM 195 C LEU A 17 4.876 -11.390 1.045 1.00 0.00 C ATOM 196 O LEU A 17 5.829 -11.251 1.811 1.00 0.00 O ATOM 197 CB LEU A 17 4.958 -10.156 -1.129 1.00 0.00 C ATOM 198 CG LEU A 17 4.651 -8.913 -1.964 1.00 0.00 C ATOM 199 CD1 LEU A 17 5.407 -8.955 -3.283 1.00 0.00 C ATOM 200 CD2 LEU A 17 3.154 -8.791 -2.209 1.00 0.00 C ATOM 0 H LEU A 17 5.509 -8.573 0.846 1.00 0.00 H new ATOM 0 HA LEU A 17 3.246 -10.328 0.161 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.039 -10.236 -1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.630 -11.034 -1.686 1.00 0.00 H new ATOM 0 HG LEU A 17 4.981 -8.035 -1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.176 -8.062 -3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.479 -8.993 -3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.109 -9.840 -3.845 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.954 -7.900 -2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.800 -9.672 -2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.634 -8.713 -1.254 1.00 0.00 H new ATOM 212 N GLU A 18 4.272 -12.557 0.845 1.00 0.00 N ATOM 213 CA GLU A 18 4.705 -13.769 1.531 1.00 0.00 C ATOM 214 C GLU A 18 5.956 -14.348 0.876 1.00 0.00 C ATOM 215 O GLU A 18 6.257 -14.083 -0.288 1.00 0.00 O ATOM 216 CB GLU A 18 3.585 -14.812 1.528 1.00 0.00 C ATOM 217 CG GLU A 18 2.538 -14.583 2.605 1.00 0.00 C ATOM 218 CD GLU A 18 2.927 -15.195 3.936 1.00 0.00 C ATOM 219 OE1 GLU A 18 3.399 -16.351 3.941 1.00 0.00 O ATOM 220 OE2 GLU A 18 2.758 -14.519 4.973 1.00 0.00 O ATOM 0 H GLU A 18 3.482 -12.689 0.214 1.00 0.00 H new ATOM 0 HA GLU A 18 4.944 -13.506 2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.098 -14.807 0.553 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.021 -15.802 1.662 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.383 -13.512 2.733 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.588 -15.006 2.279 1.00 0.00 H new ATOM 227 N PRO A 19 6.703 -15.158 1.640 1.00 0.00 N ATOM 228 CA PRO A 19 7.933 -15.792 1.156 1.00 0.00 C ATOM 229 C PRO A 19 7.658 -16.869 0.112 1.00 0.00 C ATOM 230 O PRO A 19 8.576 -17.542 -0.357 1.00 0.00 O ATOM 231 CB PRO A 19 8.534 -16.413 2.419 1.00 0.00 C ATOM 232 CG PRO A 19 7.370 -16.635 3.322 1.00 0.00 C ATOM 233 CD PRO A 19 6.404 -15.518 3.036 1.00 0.00 C ATOM 0 HA PRO A 19 8.591 -15.078 0.661 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.046 -17.349 2.195 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.268 -15.750 2.876 1.00 0.00 H new ATOM 0 HG2 PRO A 19 6.911 -17.606 3.135 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.680 -16.625 4.367 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.370 -15.841 3.155 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.554 -14.674 3.710 1.00 0.00 H new ATOM 241 N TYR A 20 6.389 -17.027 -0.247 1.00 0.00 N ATOM 242 CA TYR A 20 5.993 -18.025 -1.235 1.00 0.00 C ATOM 243 C TYR A 20 5.212 -17.381 -2.376 1.00 0.00 C ATOM 244 O TYR A 20 4.444 -18.046 -3.071 1.00 0.00 O ATOM 245 CB TYR A 20 5.148 -19.117 -0.577 1.00 0.00 C ATOM 246 CG TYR A 20 3.983 -18.581 0.225 1.00 0.00 C ATOM 247 CD1 TYR A 20 2.942 -17.901 -0.395 1.00 0.00 C ATOM 248 CD2 TYR A 20 3.923 -18.756 1.602 1.00 0.00 C ATOM 249 CE1 TYR A 20 1.877 -17.409 0.334 1.00 0.00 C ATOM 250 CE2 TYR A 20 2.861 -18.269 2.339 1.00 0.00 C ATOM 251 CZ TYR A 20 1.840 -17.596 1.700 1.00 0.00 C ATOM 252 OH TYR A 20 0.780 -17.109 2.429 1.00 0.00 O ATOM 0 H TYR A 20 5.617 -16.478 0.131 1.00 0.00 H new ATOM 0 HA TYR A 20 6.898 -18.473 -1.645 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.769 -19.786 -1.349 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.785 -19.713 0.077 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.966 -17.755 -1.465 1.00 0.00 H new ATOM 0 HD2 TYR A 20 4.721 -19.282 2.105 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.077 -16.880 -0.163 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.830 -18.414 3.409 1.00 0.00 H new ATOM 0 HH TYR A 20 0.907 -17.326 3.376 1.00 0.00 H new ATOM 262 N MET A 21 5.415 -16.081 -2.564 1.00 0.00 N ATOM 263 CA MET A 21 4.732 -15.346 -3.623 1.00 0.00 C ATOM 264 C MET A 21 5.594 -15.276 -4.879 1.00 0.00 C ATOM 265 O MET A 21 6.732 -14.807 -4.837 1.00 0.00 O ATOM 266 CB MET A 21 4.384 -13.934 -3.149 1.00 0.00 C ATOM 267 CG MET A 21 3.320 -13.901 -2.064 1.00 0.00 C ATOM 268 SD MET A 21 2.316 -12.404 -2.120 1.00 0.00 S ATOM 269 CE MET A 21 1.000 -12.837 -0.984 1.00 0.00 C ATOM 0 H MET A 21 6.047 -15.515 -1.997 1.00 0.00 H new ATOM 0 HA MET A 21 3.812 -15.877 -3.865 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.287 -13.452 -2.775 1.00 0.00 H new ATOM 0 HB3 MET A 21 4.040 -13.348 -4.001 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.673 -14.772 -2.169 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.800 -13.976 -1.088 1.00 0.00 H new ATOM 0 HE1 MET A 21 0.066 -12.385 -1.319 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.888 -13.921 -0.953 1.00 0.00 H new ATOM 0 HE3 MET A 21 1.244 -12.469 0.013 1.00 0.00 H new ATOM 279 N ASP A 22 5.046 -15.745 -5.995 1.00 0.00 N ATOM 280 CA ASP A 22 5.764 -15.734 -7.263 1.00 0.00 C ATOM 281 C ASP A 22 4.971 -14.988 -8.331 1.00 0.00 C ATOM 282 O ASP A 22 3.781 -14.725 -8.163 1.00 0.00 O ATOM 283 CB ASP A 22 6.047 -17.164 -7.726 1.00 0.00 C ATOM 284 CG ASP A 22 6.610 -18.031 -6.617 1.00 0.00 C ATOM 285 OD1 ASP A 22 5.810 -18.590 -5.837 1.00 0.00 O ATOM 286 OD2 ASP A 22 7.850 -18.151 -6.528 1.00 0.00 O ATOM 0 H ASP A 22 4.106 -16.138 -6.046 1.00 0.00 H new ATOM 0 HA ASP A 22 6.711 -15.215 -7.111 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.126 -17.611 -8.100 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.751 -17.141 -8.558 1.00 0.00 H new ATOM 291 N GLU A 23 5.639 -14.649 -9.429 1.00 0.00 N ATOM 292 CA GLU A 23 4.996 -13.931 -10.523 1.00 0.00 C ATOM 293 C GLU A 23 3.580 -14.450 -10.756 1.00 0.00 C ATOM 294 O GLU A 23 2.707 -13.716 -11.218 1.00 0.00 O ATOM 295 CB GLU A 23 5.818 -14.069 -11.807 1.00 0.00 C ATOM 296 CG GLU A 23 7.095 -13.246 -11.803 1.00 0.00 C ATOM 297 CD GLU A 23 8.235 -13.940 -11.084 1.00 0.00 C ATOM 298 OE1 GLU A 23 8.171 -15.178 -10.927 1.00 0.00 O ATOM 299 OE2 GLU A 23 9.191 -13.247 -10.677 1.00 0.00 O ATOM 0 H GLU A 23 6.625 -14.860 -9.584 1.00 0.00 H new ATOM 0 HA GLU A 23 4.939 -12.878 -10.248 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.073 -15.119 -11.954 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.204 -13.768 -12.656 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.392 -13.038 -12.831 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.902 -12.285 -11.327 1.00 0.00 H new ATOM 306 N ASN A 24 3.360 -15.720 -10.432 1.00 0.00 N ATOM 307 CA ASN A 24 2.051 -16.338 -10.606 1.00 0.00 C ATOM 308 C ASN A 24 1.062 -15.818 -9.568 1.00 0.00 C ATOM 309 O ASN A 24 -0.066 -15.451 -9.898 1.00 0.00 O ATOM 310 CB ASN A 24 2.164 -17.860 -10.502 1.00 0.00 C ATOM 311 CG ASN A 24 2.692 -18.489 -11.777 1.00 0.00 C ATOM 312 OD1 ASN A 24 3.844 -18.277 -12.157 1.00 0.00 O ATOM 313 ND2 ASN A 24 1.849 -19.267 -12.446 1.00 0.00 N ATOM 0 H ASN A 24 4.072 -16.341 -10.047 1.00 0.00 H new ATOM 0 HA ASN A 24 1.682 -16.075 -11.597 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.824 -18.117 -9.673 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.185 -18.279 -10.272 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.147 -19.717 -13.312 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.903 -19.415 -12.094 1.00 0.00 H new ATOM 320 N PHE A 25 1.492 -15.790 -8.311 1.00 0.00 N ATOM 321 CA PHE A 25 0.645 -15.315 -7.223 1.00 0.00 C ATOM 322 C PHE A 25 0.232 -13.864 -7.448 1.00 0.00 C ATOM 323 O PHE A 25 -0.954 -13.556 -7.568 1.00 0.00 O ATOM 324 CB PHE A 25 1.375 -15.448 -5.885 1.00 0.00 C ATOM 325 CG PHE A 25 0.522 -15.097 -4.699 1.00 0.00 C ATOM 326 CD1 PHE A 25 0.231 -13.774 -4.406 1.00 0.00 C ATOM 327 CD2 PHE A 25 0.012 -16.089 -3.878 1.00 0.00 C ATOM 328 CE1 PHE A 25 -0.554 -13.447 -3.316 1.00 0.00 C ATOM 329 CE2 PHE A 25 -0.774 -15.768 -2.787 1.00 0.00 C ATOM 330 CZ PHE A 25 -1.056 -14.446 -2.505 1.00 0.00 C ATOM 0 H PHE A 25 2.422 -16.091 -8.020 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.254 -15.930 -7.201 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.732 -16.472 -5.775 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.254 -14.803 -5.894 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.622 -12.989 -5.037 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.231 -17.125 -4.092 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.774 -12.412 -3.099 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.167 -16.551 -2.155 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.668 -14.194 -1.652 1.00 0.00 H new ATOM 340 N ILE A 26 1.219 -12.976 -7.504 1.00 0.00 N ATOM 341 CA ILE A 26 0.960 -11.558 -7.715 1.00 0.00 C ATOM 342 C ILE A 26 -0.003 -11.342 -8.879 1.00 0.00 C ATOM 343 O ILE A 26 -0.994 -10.624 -8.753 1.00 0.00 O ATOM 344 CB ILE A 26 2.261 -10.781 -7.990 1.00 0.00 C ATOM 345 CG1 ILE A 26 3.247 -10.971 -6.835 1.00 0.00 C ATOM 346 CG2 ILE A 26 1.963 -9.305 -8.202 1.00 0.00 C ATOM 347 CD1 ILE A 26 2.738 -10.439 -5.513 1.00 0.00 C ATOM 0 H ILE A 26 2.206 -13.214 -7.406 1.00 0.00 H new ATOM 0 HA ILE A 26 0.509 -11.181 -6.797 1.00 0.00 H new ATOM 0 HB ILE A 26 2.715 -11.173 -8.900 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.470 -12.033 -6.729 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.184 -10.472 -7.082 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.893 -8.770 -8.395 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.293 -9.188 -9.054 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.489 -8.898 -7.309 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.488 -10.607 -4.740 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.542 -9.370 -5.602 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.817 -10.955 -5.243 1.00 0.00 H new ATOM 359 N SER A 27 0.297 -11.971 -10.011 1.00 0.00 N ATOM 360 CA SER A 27 -0.540 -11.847 -11.198 1.00 0.00 C ATOM 361 C SER A 27 -1.982 -12.241 -10.891 1.00 0.00 C ATOM 362 O SER A 27 -2.924 -11.583 -11.331 1.00 0.00 O ATOM 363 CB SER A 27 0.009 -12.718 -12.329 1.00 0.00 C ATOM 364 OG SER A 27 -0.989 -12.986 -13.298 1.00 0.00 O ATOM 0 H SER A 27 1.113 -12.571 -10.131 1.00 0.00 H new ATOM 0 HA SER A 27 -0.527 -10.804 -11.513 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.853 -12.216 -12.802 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.384 -13.656 -11.920 1.00 0.00 H new ATOM 0 HG SER A 27 -0.612 -13.543 -14.011 1.00 0.00 H new ATOM 370 N ARG A 28 -2.144 -13.321 -10.132 1.00 0.00 N ATOM 371 CA ARG A 28 -3.469 -13.805 -9.766 1.00 0.00 C ATOM 372 C ARG A 28 -4.216 -12.767 -8.934 1.00 0.00 C ATOM 373 O ARG A 28 -5.412 -12.548 -9.125 1.00 0.00 O ATOM 374 CB ARG A 28 -3.358 -15.116 -8.986 1.00 0.00 C ATOM 375 CG ARG A 28 -3.367 -16.353 -9.869 1.00 0.00 C ATOM 376 CD ARG A 28 -2.649 -17.517 -9.205 1.00 0.00 C ATOM 377 NE ARG A 28 -2.848 -18.769 -9.931 1.00 0.00 N ATOM 378 CZ ARG A 28 -2.682 -19.969 -9.386 1.00 0.00 C ATOM 379 NH1 ARG A 28 -2.318 -20.079 -8.116 1.00 0.00 N ATOM 380 NH2 ARG A 28 -2.882 -21.062 -10.112 1.00 0.00 N ATOM 0 H ARG A 28 -1.374 -13.876 -9.759 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.030 -13.982 -10.683 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.438 -15.104 -8.401 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.185 -15.179 -8.278 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.396 -16.637 -10.089 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.889 -16.125 -10.822 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.583 -17.298 -9.145 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.010 -17.630 -8.183 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.130 -18.719 -10.910 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.165 -19.241 -7.555 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.191 -21.002 -7.700 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.163 -20.981 -11.089 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.754 -21.983 -9.693 1.00 0.00 H new ATOM 394 N ALA A 29 -3.503 -12.132 -8.010 1.00 0.00 N ATOM 395 CA ALA A 29 -4.098 -11.117 -7.150 1.00 0.00 C ATOM 396 C ALA A 29 -4.784 -10.032 -7.974 1.00 0.00 C ATOM 397 O ALA A 29 -5.988 -9.809 -7.845 1.00 0.00 O ATOM 398 CB ALA A 29 -3.039 -10.504 -6.245 1.00 0.00 C ATOM 0 H ALA A 29 -2.512 -12.303 -7.838 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.854 -11.600 -6.531 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.498 -9.748 -5.608 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.597 -11.282 -5.623 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.262 -10.042 -6.855 1.00 0.00 H new ATOM 404 N PHE A 30 -4.010 -9.361 -8.820 1.00 0.00 N ATOM 405 CA PHE A 30 -4.543 -8.298 -9.665 1.00 0.00 C ATOM 406 C PHE A 30 -5.688 -8.815 -10.532 1.00 0.00 C ATOM 407 O PHE A 30 -6.786 -8.260 -10.524 1.00 0.00 O ATOM 408 CB PHE A 30 -3.439 -7.719 -10.550 1.00 0.00 C ATOM 409 CG PHE A 30 -2.538 -6.755 -9.832 1.00 0.00 C ATOM 410 CD1 PHE A 30 -1.434 -7.210 -9.130 1.00 0.00 C ATOM 411 CD2 PHE A 30 -2.796 -5.394 -9.859 1.00 0.00 C ATOM 412 CE1 PHE A 30 -0.603 -6.326 -8.468 1.00 0.00 C ATOM 413 CE2 PHE A 30 -1.968 -4.505 -9.199 1.00 0.00 C ATOM 414 CZ PHE A 30 -0.871 -4.971 -8.502 1.00 0.00 C ATOM 0 H PHE A 30 -3.012 -9.534 -8.939 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.928 -7.511 -9.017 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.839 -8.536 -10.949 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.895 -7.213 -11.401 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.220 -8.268 -9.100 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.653 -5.024 -10.402 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.255 -6.694 -7.925 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.179 -3.446 -9.229 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.224 -4.278 -7.985 1.00 0.00 H new ATOM 424 N ALA A 31 -5.421 -9.880 -11.280 1.00 0.00 N ATOM 425 CA ALA A 31 -6.427 -10.473 -12.152 1.00 0.00 C ATOM 426 C ALA A 31 -7.735 -10.703 -11.403 1.00 0.00 C ATOM 427 O ALA A 31 -8.817 -10.419 -11.919 1.00 0.00 O ATOM 428 CB ALA A 31 -5.914 -11.781 -12.736 1.00 0.00 C ATOM 0 H ALA A 31 -4.516 -10.350 -11.300 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.623 -9.776 -12.967 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.676 -12.213 -13.385 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.009 -11.591 -13.314 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.689 -12.477 -11.928 1.00 0.00 H new ATOM 434 N THR A 32 -7.631 -11.220 -10.183 1.00 0.00 N ATOM 435 CA THR A 32 -8.806 -11.490 -9.364 1.00 0.00 C ATOM 436 C THR A 32 -9.541 -10.201 -9.016 1.00 0.00 C ATOM 437 O THR A 32 -10.762 -10.194 -8.859 1.00 0.00 O ATOM 438 CB THR A 32 -8.427 -12.219 -8.061 1.00 0.00 C ATOM 439 OG1 THR A 32 -7.717 -13.425 -8.363 1.00 0.00 O ATOM 440 CG2 THR A 32 -9.667 -12.546 -7.243 1.00 0.00 C ATOM 0 H THR A 32 -6.744 -11.460 -9.740 1.00 0.00 H new ATOM 0 HA THR A 32 -9.461 -12.131 -9.953 1.00 0.00 H new ATOM 0 HB THR A 32 -7.788 -11.559 -7.474 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.908 -13.210 -8.873 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.374 -13.060 -6.328 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.189 -11.624 -6.989 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.328 -13.189 -7.825 1.00 0.00 H new ATOM 448 N MET A 33 -8.790 -9.110 -8.896 1.00 0.00 N ATOM 449 CA MET A 33 -9.373 -7.814 -8.568 1.00 0.00 C ATOM 450 C MET A 33 -9.965 -7.154 -9.810 1.00 0.00 C ATOM 451 O MET A 33 -10.491 -6.044 -9.743 1.00 0.00 O ATOM 452 CB MET A 33 -8.316 -6.900 -7.945 1.00 0.00 C ATOM 453 CG MET A 33 -7.884 -7.331 -6.553 1.00 0.00 C ATOM 454 SD MET A 33 -9.279 -7.579 -5.438 1.00 0.00 S ATOM 455 CE MET A 33 -9.376 -5.971 -4.654 1.00 0.00 C ATOM 0 H MET A 33 -7.778 -9.098 -9.021 1.00 0.00 H new ATOM 0 HA MET A 33 -10.175 -7.975 -7.847 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.442 -6.873 -8.596 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.709 -5.884 -7.896 1.00 0.00 H new ATOM 0 HG2 MET A 33 -7.312 -8.256 -6.625 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.218 -6.577 -6.134 1.00 0.00 H new ATOM 0 HE1 MET A 33 -10.348 -5.859 -4.173 1.00 0.00 H new ATOM 0 HE2 MET A 33 -8.589 -5.883 -3.905 1.00 0.00 H new ATOM 0 HE3 MET A 33 -9.251 -5.192 -5.406 1.00 0.00 H new ATOM 465 N GLY A 34 -9.874 -7.845 -10.942 1.00 0.00 N ATOM 466 CA GLY A 34 -10.405 -7.310 -12.182 1.00 0.00 C ATOM 467 C GLY A 34 -9.428 -6.382 -12.878 1.00 0.00 C ATOM 468 O GLY A 34 -9.822 -5.351 -13.421 1.00 0.00 O ATOM 0 H GLY A 34 -9.442 -8.766 -11.022 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.659 -8.133 -12.850 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.329 -6.771 -11.975 1.00 0.00 H new ATOM 472 N GLU A 35 -8.150 -6.749 -12.860 1.00 0.00 N ATOM 473 CA GLU A 35 -7.115 -5.940 -13.492 1.00 0.00 C ATOM 474 C GLU A 35 -6.188 -6.807 -14.339 1.00 0.00 C ATOM 475 O GLU A 35 -5.969 -7.981 -14.037 1.00 0.00 O ATOM 476 CB GLU A 35 -6.305 -5.190 -12.432 1.00 0.00 C ATOM 477 CG GLU A 35 -7.047 -4.017 -11.815 1.00 0.00 C ATOM 478 CD GLU A 35 -7.249 -2.875 -12.792 1.00 0.00 C ATOM 479 OE1 GLU A 35 -6.441 -2.751 -13.736 1.00 0.00 O ATOM 480 OE2 GLU A 35 -8.215 -2.105 -12.612 1.00 0.00 O ATOM 0 H GLU A 35 -7.807 -7.600 -12.415 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.603 -5.216 -14.145 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.023 -5.887 -11.642 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.381 -4.828 -12.882 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.017 -4.356 -11.453 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.492 -3.656 -10.949 1.00 0.00 H new ATOM 487 N THR A 36 -5.644 -6.220 -15.401 1.00 0.00 N ATOM 488 CA THR A 36 -4.742 -6.938 -16.292 1.00 0.00 C ATOM 489 C THR A 36 -3.301 -6.482 -16.099 1.00 0.00 C ATOM 490 O THR A 36 -2.884 -5.460 -16.645 1.00 0.00 O ATOM 491 CB THR A 36 -5.138 -6.742 -17.768 1.00 0.00 C ATOM 492 OG1 THR A 36 -6.511 -7.098 -17.959 1.00 0.00 O ATOM 493 CG2 THR A 36 -4.259 -7.585 -18.680 1.00 0.00 C ATOM 0 H THR A 36 -5.813 -5.249 -15.664 1.00 0.00 H new ATOM 0 HA THR A 36 -4.822 -7.995 -16.039 1.00 0.00 H new ATOM 0 HB THR A 36 -4.997 -5.691 -18.022 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.755 -6.969 -18.899 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.557 -7.430 -19.717 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.217 -7.291 -18.554 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.373 -8.638 -18.423 1.00 0.00 H new ATOM 501 N VAL A 37 -2.542 -7.247 -15.320 1.00 0.00 N ATOM 502 CA VAL A 37 -1.145 -6.922 -15.057 1.00 0.00 C ATOM 503 C VAL A 37 -0.274 -7.214 -16.274 1.00 0.00 C ATOM 504 O VAL A 37 -0.465 -8.218 -16.960 1.00 0.00 O ATOM 505 CB VAL A 37 -0.604 -7.711 -13.850 1.00 0.00 C ATOM 506 CG1 VAL A 37 -0.176 -9.108 -14.273 1.00 0.00 C ATOM 507 CG2 VAL A 37 0.552 -6.964 -13.202 1.00 0.00 C ATOM 0 H VAL A 37 -2.871 -8.096 -14.860 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.104 -5.856 -14.833 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.402 -7.809 -13.114 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.203 -9.650 -13.407 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.032 -9.641 -14.688 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.607 -9.036 -15.027 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.923 -7.535 -12.351 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.354 -6.834 -13.929 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.209 -5.987 -12.862 1.00 0.00 H new ATOM 517 N MET A 38 0.683 -6.330 -16.535 1.00 0.00 N ATOM 518 CA MET A 38 1.586 -6.495 -17.669 1.00 0.00 C ATOM 519 C MET A 38 2.736 -7.432 -17.316 1.00 0.00 C ATOM 520 O MET A 38 2.977 -8.421 -18.008 1.00 0.00 O ATOM 521 CB MET A 38 2.136 -5.137 -18.111 1.00 0.00 C ATOM 522 CG MET A 38 1.109 -4.265 -18.815 1.00 0.00 C ATOM 523 SD MET A 38 0.458 -5.030 -20.313 1.00 0.00 S ATOM 524 CE MET A 38 -1.300 -4.997 -19.973 1.00 0.00 C ATOM 0 H MET A 38 0.854 -5.493 -15.978 1.00 0.00 H new ATOM 0 HA MET A 38 1.021 -6.936 -18.491 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.514 -4.606 -17.238 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.983 -5.297 -18.778 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.286 -4.056 -18.131 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.564 -3.308 -19.069 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.841 -5.438 -20.810 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.506 -5.567 -19.067 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.624 -3.966 -19.834 1.00 0.00 H new ATOM 534 N SER A 39 3.443 -7.115 -16.237 1.00 0.00 N ATOM 535 CA SER A 39 4.571 -7.927 -15.795 1.00 0.00 C ATOM 536 C SER A 39 4.814 -7.752 -14.299 1.00 0.00 C ATOM 537 O SER A 39 4.455 -6.729 -13.715 1.00 0.00 O ATOM 538 CB SER A 39 5.833 -7.552 -16.575 1.00 0.00 C ATOM 539 OG SER A 39 5.817 -8.121 -17.873 1.00 0.00 O ATOM 0 H SER A 39 3.255 -6.301 -15.652 1.00 0.00 H new ATOM 0 HA SER A 39 4.331 -8.973 -15.986 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.909 -6.467 -16.651 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.715 -7.896 -16.034 1.00 0.00 H new ATOM 0 HG SER A 39 4.908 -8.418 -18.089 1.00 0.00 H new ATOM 545 N VAL A 40 5.426 -8.759 -13.684 1.00 0.00 N ATOM 546 CA VAL A 40 5.719 -8.718 -12.256 1.00 0.00 C ATOM 547 C VAL A 40 7.129 -9.220 -11.969 1.00 0.00 C ATOM 548 O VAL A 40 7.525 -10.291 -12.430 1.00 0.00 O ATOM 549 CB VAL A 40 4.712 -9.562 -11.452 1.00 0.00 C ATOM 550 CG1 VAL A 40 4.472 -10.900 -12.134 1.00 0.00 C ATOM 551 CG2 VAL A 40 5.202 -9.760 -10.026 1.00 0.00 C ATOM 0 H VAL A 40 5.729 -9.613 -14.152 1.00 0.00 H new ATOM 0 HA VAL A 40 5.638 -7.676 -11.947 1.00 0.00 H new ATOM 0 HB VAL A 40 3.763 -9.026 -11.414 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.758 -11.482 -11.552 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.073 -10.732 -13.134 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.413 -11.446 -12.206 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.478 -10.358 -9.472 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.163 -10.274 -10.040 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.316 -8.790 -9.542 1.00 0.00 H new ATOM 561 N LYS A 41 7.885 -8.440 -11.205 1.00 0.00 N ATOM 562 CA LYS A 41 9.253 -8.805 -10.854 1.00 0.00 C ATOM 563 C LYS A 41 9.397 -8.986 -9.346 1.00 0.00 C ATOM 564 O LYS A 41 9.118 -8.070 -8.572 1.00 0.00 O ATOM 565 CB LYS A 41 10.230 -7.735 -11.346 1.00 0.00 C ATOM 566 CG LYS A 41 11.606 -8.280 -11.689 1.00 0.00 C ATOM 567 CD LYS A 41 12.473 -7.225 -12.355 1.00 0.00 C ATOM 568 CE LYS A 41 13.069 -6.268 -11.333 1.00 0.00 C ATOM 569 NZ LYS A 41 13.990 -5.284 -11.966 1.00 0.00 N ATOM 0 H LYS A 41 7.574 -7.550 -10.816 1.00 0.00 H new ATOM 0 HA LYS A 41 9.487 -9.752 -11.340 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.811 -7.249 -12.227 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.333 -6.968 -10.578 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.095 -8.634 -10.781 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.503 -9.139 -12.352 1.00 0.00 H new ATOM 0 HD2 LYS A 41 13.275 -7.710 -12.912 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.877 -6.665 -13.076 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.266 -5.737 -10.821 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.609 -6.836 -10.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.375 -4.650 -11.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.770 -5.789 -12.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.469 -4.724 -12.671 1.00 0.00 H new ATOM 583 N ILE A 42 9.836 -10.171 -8.937 1.00 0.00 N ATOM 584 CA ILE A 42 10.020 -10.470 -7.522 1.00 0.00 C ATOM 585 C ILE A 42 11.461 -10.221 -7.090 1.00 0.00 C ATOM 586 O ILE A 42 12.396 -10.784 -7.660 1.00 0.00 O ATOM 587 CB ILE A 42 9.645 -11.929 -7.201 1.00 0.00 C ATOM 588 CG1 ILE A 42 8.276 -12.269 -7.796 1.00 0.00 C ATOM 589 CG2 ILE A 42 9.647 -12.158 -5.697 1.00 0.00 C ATOM 590 CD1 ILE A 42 7.116 -11.726 -6.991 1.00 0.00 C ATOM 0 H ILE A 42 10.071 -10.940 -9.565 1.00 0.00 H new ATOM 0 HA ILE A 42 9.357 -9.803 -6.970 1.00 0.00 H new ATOM 0 HB ILE A 42 10.389 -12.587 -7.650 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.221 -11.873 -8.810 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.180 -13.352 -7.871 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.380 -13.194 -5.486 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.640 -11.951 -5.299 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.922 -11.494 -5.227 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.178 -12.005 -7.471 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.146 -12.142 -5.984 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.187 -10.640 -6.937 1.00 0.00 H new ATOM 602 N ILE A 43 11.633 -9.376 -6.080 1.00 0.00 N ATOM 603 CA ILE A 43 12.960 -9.055 -5.570 1.00 0.00 C ATOM 604 C ILE A 43 13.424 -10.093 -4.553 1.00 0.00 C ATOM 605 O ILE A 43 12.979 -10.093 -3.405 1.00 0.00 O ATOM 606 CB ILE A 43 12.990 -7.662 -4.915 1.00 0.00 C ATOM 607 CG1 ILE A 43 12.471 -6.604 -5.891 1.00 0.00 C ATOM 608 CG2 ILE A 43 14.400 -7.321 -4.457 1.00 0.00 C ATOM 609 CD1 ILE A 43 12.828 -6.887 -7.334 1.00 0.00 C ATOM 0 H ILE A 43 10.870 -8.901 -5.598 1.00 0.00 H new ATOM 0 HA ILE A 43 13.636 -9.060 -6.425 1.00 0.00 H new ATOM 0 HB ILE A 43 12.339 -7.674 -4.041 1.00 0.00 H new ATOM 0 HG12 ILE A 43 11.387 -6.537 -5.800 1.00 0.00 H new ATOM 0 HG13 ILE A 43 12.875 -5.632 -5.609 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.404 -6.333 -3.996 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.736 -8.061 -3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.072 -7.324 -5.315 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.428 -6.097 -7.969 1.00 0.00 H new ATOM 0 HD12 ILE A 43 13.912 -6.924 -7.440 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.401 -7.844 -7.633 1.00 0.00 H new ATOM 621 N ARG A 44 14.322 -10.974 -4.982 1.00 0.00 N ATOM 622 CA ARG A 44 14.847 -12.016 -4.108 1.00 0.00 C ATOM 623 C ARG A 44 16.368 -11.941 -4.026 1.00 0.00 C ATOM 624 O ARG A 44 17.019 -11.362 -4.895 1.00 0.00 O ATOM 625 CB ARG A 44 14.420 -13.396 -4.612 1.00 0.00 C ATOM 626 CG ARG A 44 12.977 -13.452 -5.086 1.00 0.00 C ATOM 627 CD ARG A 44 12.552 -14.876 -5.409 1.00 0.00 C ATOM 628 NE ARG A 44 11.120 -15.080 -5.202 1.00 0.00 N ATOM 629 CZ ARG A 44 10.572 -16.269 -4.978 1.00 0.00 C ATOM 630 NH1 ARG A 44 11.332 -17.355 -4.932 1.00 0.00 N ATOM 631 NH2 ARG A 44 9.262 -16.374 -4.799 1.00 0.00 N ATOM 0 H ARG A 44 14.701 -10.987 -5.929 1.00 0.00 H new ATOM 0 HA ARG A 44 14.439 -11.859 -3.110 1.00 0.00 H new ATOM 0 HB2 ARG A 44 15.074 -13.693 -5.432 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.560 -14.124 -3.813 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.324 -13.042 -4.316 1.00 0.00 H new ATOM 0 HG3 ARG A 44 12.859 -12.826 -5.971 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.805 -15.104 -6.445 1.00 0.00 H new ATOM 0 HD3 ARG A 44 13.111 -15.572 -4.784 1.00 0.00 H new ATOM 0 HE ARG A 44 10.508 -14.265 -5.231 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.340 -17.278 -5.069 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.909 -18.267 -4.760 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.674 -15.541 -4.833 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.842 -17.288 -4.627 1.00 0.00 H new ATOM 645 N ASN A 45 16.929 -12.530 -2.974 1.00 0.00 N ATOM 646 CA ASN A 45 18.374 -12.529 -2.778 1.00 0.00 C ATOM 647 C ASN A 45 19.056 -13.489 -3.747 1.00 0.00 C ATOM 648 O ASN A 45 18.394 -14.265 -4.437 1.00 0.00 O ATOM 649 CB ASN A 45 18.714 -12.915 -1.337 1.00 0.00 C ATOM 650 CG ASN A 45 20.006 -12.281 -0.858 1.00 0.00 C ATOM 651 OD1 ASN A 45 20.397 -11.212 -1.327 1.00 0.00 O ATOM 652 ND2 ASN A 45 20.675 -12.940 0.081 1.00 0.00 N ATOM 0 H ASN A 45 16.405 -13.014 -2.245 1.00 0.00 H new ATOM 0 HA ASN A 45 18.741 -11.522 -2.974 1.00 0.00 H new ATOM 0 HB2 ASN A 45 17.898 -12.612 -0.680 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.796 -13.999 -1.264 1.00 0.00 H new ATOM 0 HD21 ASN A 45 21.551 -12.563 0.443 1.00 0.00 H new ATOM 0 HD22 ASN A 45 20.313 -13.823 0.441 1.00 0.00 H new ATOM 659 N ARG A 46 20.383 -13.430 -3.795 1.00 0.00 N ATOM 660 CA ARG A 46 21.154 -14.294 -4.680 1.00 0.00 C ATOM 661 C ARG A 46 21.643 -15.535 -3.939 1.00 0.00 C ATOM 662 O ARG A 46 21.796 -16.605 -4.530 1.00 0.00 O ATOM 663 CB ARG A 46 22.347 -13.531 -5.260 1.00 0.00 C ATOM 664 CG ARG A 46 21.970 -12.570 -6.376 1.00 0.00 C ATOM 665 CD ARG A 46 21.576 -11.207 -5.828 1.00 0.00 C ATOM 666 NE ARG A 46 20.630 -10.519 -6.702 1.00 0.00 N ATOM 667 CZ ARG A 46 20.304 -9.238 -6.568 1.00 0.00 C ATOM 668 NH1 ARG A 46 20.846 -8.510 -5.602 1.00 0.00 N ATOM 669 NH2 ARG A 46 19.435 -8.683 -7.403 1.00 0.00 N ATOM 0 H ARG A 46 20.946 -12.793 -3.231 1.00 0.00 H new ATOM 0 HA ARG A 46 20.503 -14.611 -5.494 1.00 0.00 H new ATOM 0 HB2 ARG A 46 22.834 -12.973 -4.460 1.00 0.00 H new ATOM 0 HB3 ARG A 46 23.076 -14.247 -5.639 1.00 0.00 H new ATOM 0 HG2 ARG A 46 22.810 -12.459 -7.061 1.00 0.00 H new ATOM 0 HG3 ARG A 46 21.142 -12.985 -6.951 1.00 0.00 H new ATOM 0 HD2 ARG A 46 21.134 -11.328 -4.839 1.00 0.00 H new ATOM 0 HD3 ARG A 46 22.469 -10.594 -5.706 1.00 0.00 H new ATOM 0 HE ARG A 46 20.196 -11.051 -7.456 1.00 0.00 H new ATOM 0 HH11 ARG A 46 21.515 -8.933 -4.959 1.00 0.00 H new ATOM 0 HH12 ARG A 46 20.594 -7.527 -5.502 1.00 0.00 H new ATOM 0 HH21 ARG A 46 19.017 -9.240 -8.148 1.00 0.00 H new ATOM 0 HH22 ARG A 46 19.185 -7.700 -7.300 1.00 0.00 H new ATOM 683 N LEU A 47 21.887 -15.385 -2.641 1.00 0.00 N ATOM 684 CA LEU A 47 22.359 -16.493 -1.818 1.00 0.00 C ATOM 685 C LEU A 47 21.196 -17.180 -1.111 1.00 0.00 C ATOM 686 O LEU A 47 21.080 -18.406 -1.129 1.00 0.00 O ATOM 687 CB LEU A 47 23.374 -15.993 -0.789 1.00 0.00 C ATOM 688 CG LEU A 47 24.823 -15.897 -1.266 1.00 0.00 C ATOM 689 CD1 LEU A 47 25.285 -17.228 -1.840 1.00 0.00 C ATOM 690 CD2 LEU A 47 24.973 -14.788 -2.298 1.00 0.00 C ATOM 0 H LEU A 47 21.766 -14.507 -2.136 1.00 0.00 H new ATOM 0 HA LEU A 47 22.842 -17.219 -2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 47 23.059 -15.007 -0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.341 -16.656 0.076 1.00 0.00 H new ATOM 0 HG LEU A 47 25.452 -15.656 -0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.319 -17.141 -2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 47 25.216 -17.999 -1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 47 24.652 -17.499 -2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 47 26.011 -14.734 -2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 47 24.332 -14.999 -3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 47 24.683 -13.836 -1.854 1.00 0.00 H new ATOM 702 N THR A 48 20.333 -16.382 -0.489 1.00 0.00 N ATOM 703 CA THR A 48 19.178 -16.912 0.224 1.00 0.00 C ATOM 704 C THR A 48 18.002 -17.130 -0.721 1.00 0.00 C ATOM 705 O THR A 48 17.100 -17.916 -0.434 1.00 0.00 O ATOM 706 CB THR A 48 18.740 -15.972 1.363 1.00 0.00 C ATOM 707 OG1 THR A 48 18.388 -14.690 0.831 1.00 0.00 O ATOM 708 CG2 THR A 48 19.851 -15.813 2.390 1.00 0.00 C ATOM 0 H THR A 48 20.413 -15.365 -0.465 1.00 0.00 H new ATOM 0 HA THR A 48 19.481 -17.869 0.650 1.00 0.00 H new ATOM 0 HB THR A 48 17.872 -16.412 1.855 1.00 0.00 H new ATOM 0 HG1 THR A 48 18.109 -14.098 1.561 1.00 0.00 H new ATOM 0 HG21 THR A 48 19.519 -15.145 3.185 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.097 -16.787 2.814 1.00 0.00 H new ATOM 0 HG23 THR A 48 20.734 -15.393 1.909 1.00 0.00 H new ATOM 716 N GLY A 49 18.018 -16.429 -1.851 1.00 0.00 N ATOM 717 CA GLY A 49 16.947 -16.560 -2.821 1.00 0.00 C ATOM 718 C GLY A 49 15.595 -16.189 -2.246 1.00 0.00 C ATOM 719 O GLY A 49 14.563 -16.397 -2.884 1.00 0.00 O ATOM 0 H GLY A 49 18.754 -15.773 -2.112 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.160 -15.924 -3.680 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.914 -17.587 -3.185 1.00 0.00 H new ATOM 723 N ILE A 50 15.599 -15.638 -1.036 1.00 0.00 N ATOM 724 CA ILE A 50 14.363 -15.238 -0.375 1.00 0.00 C ATOM 725 C ILE A 50 13.890 -13.876 -0.873 1.00 0.00 C ATOM 726 O ILE A 50 14.669 -12.932 -1.008 1.00 0.00 O ATOM 727 CB ILE A 50 14.535 -15.181 1.154 1.00 0.00 C ATOM 728 CG1 ILE A 50 14.942 -16.554 1.694 1.00 0.00 C ATOM 729 CG2 ILE A 50 13.250 -14.706 1.814 1.00 0.00 C ATOM 730 CD1 ILE A 50 15.023 -16.609 3.204 1.00 0.00 C ATOM 0 H ILE A 50 16.444 -15.459 -0.494 1.00 0.00 H new ATOM 0 HA ILE A 50 13.615 -15.992 -0.620 1.00 0.00 H new ATOM 0 HB ILE A 50 15.326 -14.469 1.390 1.00 0.00 H new ATOM 0 HG12 ILE A 50 14.224 -17.298 1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.911 -16.827 1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.387 -14.671 2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.999 -13.711 1.448 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.441 -15.396 1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.316 -17.611 3.516 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.762 -15.889 3.555 1.00 0.00 H new ATOM 0 HD13 ILE A 50 14.049 -16.367 3.630 1.00 0.00 H new ATOM 742 N PRO A 51 12.582 -13.770 -1.151 1.00 0.00 N ATOM 743 CA PRO A 51 11.975 -12.527 -1.636 1.00 0.00 C ATOM 744 C PRO A 51 11.935 -11.444 -0.563 1.00 0.00 C ATOM 745 O PRO A 51 11.250 -11.585 0.449 1.00 0.00 O ATOM 746 CB PRO A 51 10.555 -12.952 -2.020 1.00 0.00 C ATOM 747 CG PRO A 51 10.278 -14.149 -1.178 1.00 0.00 C ATOM 748 CD PRO A 51 11.596 -14.854 -1.013 1.00 0.00 C ATOM 0 HA PRO A 51 12.541 -12.091 -2.459 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.837 -12.156 -1.825 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.486 -13.190 -3.081 1.00 0.00 H new ATOM 0 HG2 PRO A 51 9.867 -13.859 -0.211 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.544 -14.800 -1.654 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.671 -15.344 -0.042 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.737 -15.625 -1.771 1.00 0.00 H new ATOM 756 N ALA A 52 12.674 -10.363 -0.792 1.00 0.00 N ATOM 757 CA ALA A 52 12.720 -9.255 0.154 1.00 0.00 C ATOM 758 C ALA A 52 11.359 -9.031 0.805 1.00 0.00 C ATOM 759 O ALA A 52 11.273 -8.573 1.943 1.00 0.00 O ATOM 760 CB ALA A 52 13.190 -7.986 -0.542 1.00 0.00 C ATOM 0 H ALA A 52 13.249 -10.231 -1.624 1.00 0.00 H new ATOM 0 HA ALA A 52 13.431 -9.510 0.940 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.220 -7.167 0.176 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.187 -8.144 -0.953 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.500 -7.737 -1.349 1.00 0.00 H new ATOM 766 N GLY A 53 10.298 -9.357 0.073 1.00 0.00 N ATOM 767 CA GLY A 53 8.955 -9.183 0.596 1.00 0.00 C ATOM 768 C GLY A 53 8.123 -8.236 -0.247 1.00 0.00 C ATOM 769 O GLY A 53 6.987 -7.917 0.104 1.00 0.00 O ATOM 0 H GLY A 53 10.344 -9.738 -0.872 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.459 -10.152 0.645 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.012 -8.802 1.616 1.00 0.00 H new ATOM 773 N TYR A 54 8.689 -7.785 -1.360 1.00 0.00 N ATOM 774 CA TYR A 54 7.994 -6.866 -2.253 1.00 0.00 C ATOM 775 C TYR A 54 8.293 -7.194 -3.713 1.00 0.00 C ATOM 776 O TYR A 54 9.282 -7.859 -4.021 1.00 0.00 O ATOM 777 CB TYR A 54 8.399 -5.422 -1.950 1.00 0.00 C ATOM 778 CG TYR A 54 9.810 -5.087 -2.377 1.00 0.00 C ATOM 779 CD1 TYR A 54 10.895 -5.407 -1.571 1.00 0.00 C ATOM 780 CD2 TYR A 54 10.058 -4.449 -3.586 1.00 0.00 C ATOM 781 CE1 TYR A 54 12.186 -5.102 -1.957 1.00 0.00 C ATOM 782 CE2 TYR A 54 11.345 -4.141 -3.981 1.00 0.00 C ATOM 783 CZ TYR A 54 12.406 -4.470 -3.163 1.00 0.00 C ATOM 784 OH TYR A 54 13.690 -4.163 -3.552 1.00 0.00 O ATOM 0 H TYR A 54 9.628 -8.041 -1.666 1.00 0.00 H new ATOM 0 HA TYR A 54 6.923 -6.978 -2.086 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.706 -4.746 -2.452 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.300 -5.243 -0.879 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.727 -5.903 -0.626 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.230 -4.189 -4.228 1.00 0.00 H new ATOM 0 HE1 TYR A 54 13.018 -5.357 -1.318 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.520 -3.646 -4.925 1.00 0.00 H new ATOM 0 HH TYR A 54 13.670 -3.721 -4.427 1.00 0.00 H new ATOM 794 N CYS A 55 7.431 -6.721 -4.607 1.00 0.00 N ATOM 795 CA CYS A 55 7.601 -6.963 -6.035 1.00 0.00 C ATOM 796 C CYS A 55 7.115 -5.769 -6.851 1.00 0.00 C ATOM 797 O CYS A 55 6.278 -4.991 -6.393 1.00 0.00 O ATOM 798 CB CYS A 55 6.845 -8.224 -6.453 1.00 0.00 C ATOM 799 SG CYS A 55 5.071 -7.974 -6.698 1.00 0.00 S ATOM 0 H CYS A 55 6.608 -6.168 -4.368 1.00 0.00 H new ATOM 0 HA CYS A 55 8.664 -7.104 -6.230 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.278 -8.605 -7.378 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.991 -8.991 -5.693 1.00 0.00 H new ATOM 0 HG CYS A 55 4.865 -7.440 -7.865 1.00 0.00 H new ATOM 805 N PHE A 56 7.647 -5.630 -8.060 1.00 0.00 N ATOM 806 CA PHE A 56 7.269 -4.529 -8.939 1.00 0.00 C ATOM 807 C PHE A 56 6.295 -5.001 -10.015 1.00 0.00 C ATOM 808 O PHE A 56 6.462 -6.077 -10.590 1.00 0.00 O ATOM 809 CB PHE A 56 8.512 -3.920 -9.592 1.00 0.00 C ATOM 810 CG PHE A 56 9.382 -3.160 -8.632 1.00 0.00 C ATOM 811 CD1 PHE A 56 8.971 -1.939 -8.122 1.00 0.00 C ATOM 812 CD2 PHE A 56 10.611 -3.666 -8.241 1.00 0.00 C ATOM 813 CE1 PHE A 56 9.769 -1.237 -7.238 1.00 0.00 C ATOM 814 CE2 PHE A 56 11.413 -2.969 -7.358 1.00 0.00 C ATOM 815 CZ PHE A 56 10.992 -1.753 -6.857 1.00 0.00 C ATOM 0 H PHE A 56 8.341 -6.265 -8.454 1.00 0.00 H new ATOM 0 HA PHE A 56 6.774 -3.768 -8.335 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.099 -4.716 -10.050 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.200 -3.252 -10.395 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.016 -1.531 -8.419 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.946 -4.616 -8.631 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.437 -0.287 -6.846 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.368 -3.375 -7.060 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.619 -1.206 -6.168 1.00 0.00 H new ATOM 825 N VAL A 57 5.277 -4.189 -10.280 1.00 0.00 N ATOM 826 CA VAL A 57 4.276 -4.522 -11.287 1.00 0.00 C ATOM 827 C VAL A 57 4.256 -3.488 -12.406 1.00 0.00 C ATOM 828 O VAL A 57 4.208 -2.285 -12.151 1.00 0.00 O ATOM 829 CB VAL A 57 2.869 -4.620 -10.668 1.00 0.00 C ATOM 830 CG1 VAL A 57 2.566 -6.051 -10.252 1.00 0.00 C ATOM 831 CG2 VAL A 57 2.742 -3.674 -9.483 1.00 0.00 C ATOM 0 H VAL A 57 5.123 -3.296 -9.812 1.00 0.00 H new ATOM 0 HA VAL A 57 4.552 -5.493 -11.699 1.00 0.00 H new ATOM 0 HB VAL A 57 2.139 -4.324 -11.421 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.568 -6.100 -9.817 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.613 -6.702 -11.125 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.299 -6.379 -9.515 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.742 -3.756 -9.058 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.481 -3.937 -8.726 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.912 -2.650 -9.815 1.00 0.00 H new ATOM 841 N GLU A 58 4.293 -3.965 -13.646 1.00 0.00 N ATOM 842 CA GLU A 58 4.280 -3.080 -14.805 1.00 0.00 C ATOM 843 C GLU A 58 2.874 -2.967 -15.388 1.00 0.00 C ATOM 844 O GLU A 58 2.047 -3.864 -15.221 1.00 0.00 O ATOM 845 CB GLU A 58 5.248 -3.589 -15.875 1.00 0.00 C ATOM 846 CG GLU A 58 5.800 -2.492 -16.769 1.00 0.00 C ATOM 847 CD GLU A 58 7.116 -2.874 -17.417 1.00 0.00 C ATOM 848 OE1 GLU A 58 7.969 -3.466 -16.722 1.00 0.00 O ATOM 849 OE2 GLU A 58 7.294 -2.581 -18.618 1.00 0.00 O ATOM 0 H GLU A 58 4.332 -4.958 -13.874 1.00 0.00 H new ATOM 0 HA GLU A 58 4.600 -2.091 -14.477 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.078 -4.101 -15.388 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.737 -4.327 -16.493 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.071 -2.260 -17.545 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.939 -1.585 -16.181 1.00 0.00 H new ATOM 856 N PHE A 59 2.610 -1.859 -16.071 1.00 0.00 N ATOM 857 CA PHE A 59 1.304 -1.627 -16.678 1.00 0.00 C ATOM 858 C PHE A 59 1.444 -0.890 -18.007 1.00 0.00 C ATOM 859 O PHE A 59 2.554 -0.629 -18.469 1.00 0.00 O ATOM 860 CB PHE A 59 0.412 -0.825 -15.728 1.00 0.00 C ATOM 861 CG PHE A 59 -0.097 -1.626 -14.564 1.00 0.00 C ATOM 862 CD1 PHE A 59 -1.261 -2.369 -14.674 1.00 0.00 C ATOM 863 CD2 PHE A 59 0.589 -1.635 -13.360 1.00 0.00 C ATOM 864 CE1 PHE A 59 -1.732 -3.106 -13.604 1.00 0.00 C ATOM 865 CE2 PHE A 59 0.123 -2.371 -12.286 1.00 0.00 C ATOM 866 CZ PHE A 59 -1.039 -3.108 -12.409 1.00 0.00 C ATOM 0 H PHE A 59 3.283 -1.107 -16.219 1.00 0.00 H new ATOM 0 HA PHE A 59 0.842 -2.596 -16.868 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.972 0.031 -15.352 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.437 -0.430 -16.286 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.806 -2.372 -15.606 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.498 -1.061 -13.259 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.641 -3.680 -13.702 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.667 -2.370 -11.353 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.405 -3.685 -11.572 1.00 0.00 H new ATOM 876 N ALA A 60 0.310 -0.559 -18.615 1.00 0.00 N ATOM 877 CA ALA A 60 0.306 0.149 -19.889 1.00 0.00 C ATOM 878 C ALA A 60 1.024 1.490 -19.775 1.00 0.00 C ATOM 879 O ALA A 60 1.912 1.798 -20.570 1.00 0.00 O ATOM 880 CB ALA A 60 -1.122 0.352 -20.375 1.00 0.00 C ATOM 0 H ALA A 60 -0.617 -0.770 -18.246 1.00 0.00 H new ATOM 0 HA ALA A 60 0.843 -0.460 -20.616 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.110 0.882 -21.327 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.603 -0.617 -20.505 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.676 0.937 -19.641 1.00 0.00 H new ATOM 886 N ASP A 61 0.633 2.282 -18.783 1.00 0.00 N ATOM 887 CA ASP A 61 1.240 3.590 -18.565 1.00 0.00 C ATOM 888 C ASP A 61 0.958 4.091 -17.152 1.00 0.00 C ATOM 889 O ASP A 61 0.162 3.501 -16.420 1.00 0.00 O ATOM 890 CB ASP A 61 0.716 4.597 -19.591 1.00 0.00 C ATOM 891 CG ASP A 61 1.111 6.022 -19.257 1.00 0.00 C ATOM 892 OD1 ASP A 61 2.319 6.330 -19.313 1.00 0.00 O ATOM 893 OD2 ASP A 61 0.211 6.829 -18.940 1.00 0.00 O ATOM 0 H ASP A 61 -0.101 2.041 -18.117 1.00 0.00 H new ATOM 0 HA ASP A 61 2.318 3.488 -18.686 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.099 4.339 -20.578 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.371 4.527 -19.643 1.00 0.00 H new ATOM 898 N LEU A 62 1.616 5.182 -16.775 1.00 0.00 N ATOM 899 CA LEU A 62 1.437 5.762 -15.448 1.00 0.00 C ATOM 900 C LEU A 62 -0.044 5.913 -15.115 1.00 0.00 C ATOM 901 O LEU A 62 -0.470 5.629 -13.996 1.00 0.00 O ATOM 902 CB LEU A 62 2.130 7.123 -15.368 1.00 0.00 C ATOM 903 CG LEU A 62 2.024 7.853 -14.029 1.00 0.00 C ATOM 904 CD1 LEU A 62 2.722 7.063 -12.933 1.00 0.00 C ATOM 905 CD2 LEU A 62 2.610 9.253 -14.136 1.00 0.00 C ATOM 0 H LEU A 62 2.278 5.682 -17.369 1.00 0.00 H new ATOM 0 HA LEU A 62 1.887 5.088 -14.720 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.186 6.985 -15.601 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.714 7.766 -16.143 1.00 0.00 H new ATOM 0 HG LEU A 62 0.969 7.942 -13.769 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.636 7.598 -11.987 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.256 6.082 -12.838 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.775 6.941 -13.187 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.526 9.757 -13.173 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.660 9.187 -14.420 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.065 9.819 -14.891 1.00 0.00 H new ATOM 917 N ALA A 63 -0.823 6.358 -16.094 1.00 0.00 N ATOM 918 CA ALA A 63 -2.257 6.542 -15.906 1.00 0.00 C ATOM 919 C ALA A 63 -2.899 5.290 -15.320 1.00 0.00 C ATOM 920 O ALA A 63 -3.317 5.277 -14.161 1.00 0.00 O ATOM 921 CB ALA A 63 -2.920 6.909 -17.226 1.00 0.00 C ATOM 0 H ALA A 63 -0.486 6.598 -17.026 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.404 7.359 -15.199 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.990 7.043 -17.071 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.489 7.836 -17.604 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.756 6.111 -17.950 1.00 0.00 H new ATOM 927 N THR A 64 -2.975 4.236 -16.127 1.00 0.00 N ATOM 928 CA THR A 64 -3.568 2.979 -15.689 1.00 0.00 C ATOM 929 C THR A 64 -3.044 2.573 -14.316 1.00 0.00 C ATOM 930 O THR A 64 -3.791 2.064 -13.482 1.00 0.00 O ATOM 931 CB THR A 64 -3.283 1.844 -16.690 1.00 0.00 C ATOM 932 OG1 THR A 64 -4.000 2.074 -17.908 1.00 0.00 O ATOM 933 CG2 THR A 64 -3.681 0.496 -16.109 1.00 0.00 C ATOM 0 H THR A 64 -2.633 4.228 -17.088 1.00 0.00 H new ATOM 0 HA THR A 64 -4.644 3.141 -15.631 1.00 0.00 H new ATOM 0 HB THR A 64 -2.213 1.831 -16.895 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.812 1.349 -18.540 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.470 -0.290 -16.835 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.112 0.310 -15.198 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.746 0.500 -15.878 1.00 0.00 H new ATOM 941 N ALA A 65 -1.755 2.803 -14.088 1.00 0.00 N ATOM 942 CA ALA A 65 -1.132 2.463 -12.815 1.00 0.00 C ATOM 943 C ALA A 65 -1.866 3.122 -11.652 1.00 0.00 C ATOM 944 O ALA A 65 -2.277 2.450 -10.706 1.00 0.00 O ATOM 945 CB ALA A 65 0.333 2.875 -12.818 1.00 0.00 C ATOM 0 H ALA A 65 -1.122 3.223 -14.768 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.194 1.383 -12.685 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.786 2.615 -11.861 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.856 2.354 -13.620 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.408 3.951 -12.975 1.00 0.00 H new ATOM 951 N GLU A 66 -2.026 4.439 -11.729 1.00 0.00 N ATOM 952 CA GLU A 66 -2.710 5.187 -10.680 1.00 0.00 C ATOM 953 C GLU A 66 -4.093 4.603 -10.408 1.00 0.00 C ATOM 954 O GLU A 66 -4.369 4.115 -9.311 1.00 0.00 O ATOM 955 CB GLU A 66 -2.835 6.661 -11.073 1.00 0.00 C ATOM 956 CG GLU A 66 -1.638 7.503 -10.667 1.00 0.00 C ATOM 957 CD GLU A 66 -1.673 8.895 -11.267 1.00 0.00 C ATOM 958 OE1 GLU A 66 -1.869 9.006 -12.496 1.00 0.00 O ATOM 959 OE2 GLU A 66 -1.506 9.873 -10.509 1.00 0.00 O ATOM 0 H GLU A 66 -1.692 5.010 -12.506 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.117 5.110 -9.769 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.968 6.730 -12.153 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.733 7.076 -10.614 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.605 7.581 -9.580 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.722 7.000 -10.978 1.00 0.00 H new ATOM 966 N LYS A 67 -4.959 4.656 -11.413 1.00 0.00 N ATOM 967 CA LYS A 67 -6.314 4.132 -11.285 1.00 0.00 C ATOM 968 C LYS A 67 -6.296 2.696 -10.771 1.00 0.00 C ATOM 969 O LYS A 67 -7.135 2.307 -9.958 1.00 0.00 O ATOM 970 CB LYS A 67 -7.036 4.193 -12.633 1.00 0.00 C ATOM 971 CG LYS A 67 -6.998 5.566 -13.282 1.00 0.00 C ATOM 972 CD LYS A 67 -6.972 5.465 -14.798 1.00 0.00 C ATOM 973 CE LYS A 67 -7.175 6.824 -15.450 1.00 0.00 C ATOM 974 NZ LYS A 67 -8.616 7.113 -15.693 1.00 0.00 N ATOM 0 H LYS A 67 -4.747 5.057 -12.327 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.849 4.751 -10.565 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.585 3.468 -13.310 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.075 3.895 -12.493 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.869 6.141 -12.970 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.118 6.108 -12.937 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.019 5.045 -15.120 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.751 4.780 -15.132 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.752 7.600 -14.812 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.633 6.858 -16.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.712 8.048 -16.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.014 6.387 -16.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.129 7.106 -14.788 1.00 0.00 H new ATOM 988 N CYS A 68 -5.334 1.914 -11.249 1.00 0.00 N ATOM 989 CA CYS A 68 -5.206 0.520 -10.837 1.00 0.00 C ATOM 990 C CYS A 68 -4.573 0.419 -9.453 1.00 0.00 C ATOM 991 O CYS A 68 -4.627 -0.630 -8.809 1.00 0.00 O ATOM 992 CB CYS A 68 -4.369 -0.259 -11.852 1.00 0.00 C ATOM 993 SG CYS A 68 -4.583 -2.052 -11.764 1.00 0.00 S ATOM 0 H CYS A 68 -4.632 2.221 -11.922 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.205 0.086 -10.793 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.628 0.078 -12.856 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.316 -0.021 -11.698 1.00 0.00 H new ATOM 0 HG CYS A 68 -4.961 -2.501 -12.924 1.00 0.00 H new ATOM 999 N LEU A 69 -3.973 1.514 -9.001 1.00 0.00 N ATOM 1000 CA LEU A 69 -3.327 1.549 -7.694 1.00 0.00 C ATOM 1001 C LEU A 69 -4.284 2.071 -6.627 1.00 0.00 C ATOM 1002 O LEU A 69 -4.154 1.744 -5.447 1.00 0.00 O ATOM 1003 CB LEU A 69 -2.074 2.425 -7.744 1.00 0.00 C ATOM 1004 CG LEU A 69 -1.698 3.135 -6.443 1.00 0.00 C ATOM 1005 CD1 LEU A 69 -0.991 2.176 -5.497 1.00 0.00 C ATOM 1006 CD2 LEU A 69 -0.824 4.346 -6.729 1.00 0.00 C ATOM 0 H LEU A 69 -3.920 2.390 -9.521 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.040 0.531 -7.432 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.233 1.804 -8.051 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.213 3.179 -8.519 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.614 3.479 -5.962 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.731 2.699 -4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.651 1.340 -5.266 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.083 1.801 -5.970 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.567 4.838 -5.791 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.088 4.026 -7.233 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.366 5.043 -7.368 1.00 0.00 H new ATOM 1018 N HIS A 70 -5.247 2.884 -7.051 1.00 0.00 N ATOM 1019 CA HIS A 70 -6.229 3.449 -6.132 1.00 0.00 C ATOM 1020 C HIS A 70 -7.448 2.539 -6.012 1.00 0.00 C ATOM 1021 O HIS A 70 -8.274 2.705 -5.114 1.00 0.00 O ATOM 1022 CB HIS A 70 -6.660 4.838 -6.605 1.00 0.00 C ATOM 1023 CG HIS A 70 -5.615 5.891 -6.398 1.00 0.00 C ATOM 1024 ND1 HIS A 70 -5.813 7.004 -5.608 1.00 0.00 N ATOM 1025 CD2 HIS A 70 -4.356 5.996 -6.884 1.00 0.00 C ATOM 1026 CE1 HIS A 70 -4.722 7.748 -5.618 1.00 0.00 C ATOM 1027 NE2 HIS A 70 -3.822 7.159 -6.384 1.00 0.00 N ATOM 0 H HIS A 70 -5.368 3.166 -8.024 1.00 0.00 H new ATOM 0 HA HIS A 70 -5.764 3.535 -5.150 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.912 4.790 -7.665 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.567 5.128 -6.075 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -3.863 5.296 -7.542 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.588 8.680 -5.089 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -2.883 7.510 -6.574 1.00 0.00 H new ATOM 1035 N LYS A 71 -7.556 1.579 -6.924 1.00 0.00 N ATOM 1036 CA LYS A 71 -8.673 0.642 -6.921 1.00 0.00 C ATOM 1037 C LYS A 71 -8.408 -0.517 -5.964 1.00 0.00 C ATOM 1038 O LYS A 71 -9.336 -1.204 -5.536 1.00 0.00 O ATOM 1039 CB LYS A 71 -8.919 0.106 -8.333 1.00 0.00 C ATOM 1040 CG LYS A 71 -7.789 -0.761 -8.860 1.00 0.00 C ATOM 1041 CD LYS A 71 -7.955 -2.212 -8.439 1.00 0.00 C ATOM 1042 CE LYS A 71 -9.314 -2.758 -8.849 1.00 0.00 C ATOM 1043 NZ LYS A 71 -10.318 -2.625 -7.757 1.00 0.00 N ATOM 0 H LYS A 71 -6.883 1.429 -7.675 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.561 1.175 -6.581 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.842 -0.473 -8.337 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.067 0.947 -9.011 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.758 -0.698 -9.948 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.836 -0.381 -8.492 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.168 -2.816 -8.891 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.839 -2.294 -7.358 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.667 -2.227 -9.733 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.215 -3.808 -9.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.734 -3.556 -7.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.854 -2.258 -6.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.068 -1.968 -8.053 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.139 -0.727 -5.633 1.00 0.00 N ATOM 1058 CA ILE A 72 -6.754 -1.801 -4.725 1.00 0.00 C ATOM 1059 C ILE A 72 -6.051 -1.250 -3.489 1.00 0.00 C ATOM 1060 O ILE A 72 -5.873 -1.956 -2.498 1.00 0.00 O ATOM 1061 CB ILE A 72 -5.829 -2.819 -5.418 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -5.004 -2.132 -6.508 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -6.645 -3.962 -6.004 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -4.243 -3.098 -7.388 1.00 0.00 C ATOM 0 H ILE A 72 -6.360 -0.168 -5.980 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.673 -2.304 -4.423 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.144 -3.230 -4.676 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.667 -1.531 -7.130 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.298 -1.446 -6.040 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.978 -4.673 -6.490 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.192 -4.465 -5.206 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.350 -3.568 -6.735 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.681 -2.542 -8.138 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.554 -3.682 -6.777 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.945 -3.768 -7.884 1.00 0.00 H new ATOM 1076 N ASN A 73 -5.655 0.017 -3.556 1.00 0.00 N ATOM 1077 CA ASN A 73 -4.973 0.664 -2.441 1.00 0.00 C ATOM 1078 C ASN A 73 -5.844 0.653 -1.189 1.00 0.00 C ATOM 1079 O ASN A 73 -6.491 1.647 -0.861 1.00 0.00 O ATOM 1080 CB ASN A 73 -4.604 2.103 -2.807 1.00 0.00 C ATOM 1081 CG ASN A 73 -4.456 2.990 -1.586 1.00 0.00 C ATOM 1082 OD1 ASN A 73 -5.308 3.835 -1.312 1.00 0.00 O ATOM 1083 ND2 ASN A 73 -3.370 2.801 -0.846 1.00 0.00 N ATOM 0 H ASN A 73 -5.795 0.616 -4.370 1.00 0.00 H new ATOM 0 HA ASN A 73 -4.061 0.104 -2.232 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.670 2.104 -3.369 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.371 2.516 -3.462 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.216 3.368 -0.012 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.690 2.089 -1.111 1.00 0.00 H new ATOM 1090 N GLY A 74 -5.856 -0.480 -0.492 1.00 0.00 N ATOM 1091 CA GLY A 74 -6.651 -0.599 0.716 1.00 0.00 C ATOM 1092 C GLY A 74 -7.513 -1.846 0.722 1.00 0.00 C ATOM 1093 O GLY A 74 -7.879 -2.352 1.783 1.00 0.00 O ATOM 0 H GLY A 74 -5.329 -1.317 -0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.990 -0.614 1.582 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.288 0.280 0.816 1.00 0.00 H new ATOM 1097 N LYS A 75 -7.841 -2.342 -0.466 1.00 0.00 N ATOM 1098 CA LYS A 75 -8.666 -3.537 -0.595 1.00 0.00 C ATOM 1099 C LYS A 75 -7.899 -4.779 -0.152 1.00 0.00 C ATOM 1100 O LYS A 75 -6.668 -4.815 -0.165 1.00 0.00 O ATOM 1101 CB LYS A 75 -9.136 -3.704 -2.042 1.00 0.00 C ATOM 1102 CG LYS A 75 -10.271 -2.770 -2.424 1.00 0.00 C ATOM 1103 CD LYS A 75 -11.624 -3.363 -2.069 1.00 0.00 C ATOM 1104 CE LYS A 75 -11.972 -3.122 -0.609 1.00 0.00 C ATOM 1105 NZ LYS A 75 -13.444 -3.055 -0.393 1.00 0.00 N ATOM 0 H LYS A 75 -7.548 -1.934 -1.354 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.535 -3.419 0.052 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.293 -3.531 -2.711 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.458 -4.734 -2.194 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.146 -1.815 -1.913 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.231 -2.566 -3.494 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.393 -2.924 -2.705 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.617 -4.434 -2.270 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.552 -3.921 0.001 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.513 -2.191 -0.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.640 -2.890 0.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.842 -2.276 -0.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.879 -3.952 -0.687 1.00 0.00 H new ATOM 1119 N PRO A 76 -8.640 -5.822 0.248 1.00 0.00 N ATOM 1120 CA PRO A 76 -8.050 -7.086 0.700 1.00 0.00 C ATOM 1121 C PRO A 76 -7.397 -7.861 -0.439 1.00 0.00 C ATOM 1122 O PRO A 76 -7.934 -7.929 -1.545 1.00 0.00 O ATOM 1123 CB PRO A 76 -9.249 -7.859 1.255 1.00 0.00 C ATOM 1124 CG PRO A 76 -10.427 -7.300 0.535 1.00 0.00 C ATOM 1125 CD PRO A 76 -10.112 -5.850 0.290 1.00 0.00 C ATOM 0 HA PRO A 76 -7.254 -6.927 1.428 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.147 -8.929 1.076 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.343 -7.724 2.332 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.597 -7.827 -0.404 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.335 -7.407 1.129 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.547 -5.497 -0.645 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.503 -5.214 1.084 1.00 0.00 H new ATOM 1133 N LEU A 77 -6.236 -8.445 -0.162 1.00 0.00 N ATOM 1134 CA LEU A 77 -5.510 -9.217 -1.164 1.00 0.00 C ATOM 1135 C LEU A 77 -5.964 -10.673 -1.165 1.00 0.00 C ATOM 1136 O LEU A 77 -5.769 -11.410 -0.198 1.00 0.00 O ATOM 1137 CB LEU A 77 -4.004 -9.140 -0.903 1.00 0.00 C ATOM 1138 CG LEU A 77 -3.145 -10.183 -1.619 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -3.481 -10.225 -3.102 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -1.666 -9.887 -1.414 1.00 0.00 C ATOM 0 H LEU A 77 -5.778 -8.398 0.748 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.725 -8.789 -2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.655 -8.149 -1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.836 -9.235 0.170 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.363 -11.161 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.860 -10.973 -3.595 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.532 -10.485 -3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.292 -9.247 -3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.069 -10.639 -1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.433 -8.901 -1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.435 -9.909 -0.349 1.00 0.00 H new ATOM 1152 N PRO A 78 -6.583 -11.099 -2.276 1.00 0.00 N ATOM 1153 CA PRO A 78 -7.075 -12.471 -2.431 1.00 0.00 C ATOM 1154 C PRO A 78 -5.941 -13.483 -2.556 1.00 0.00 C ATOM 1155 O PRO A 78 -4.810 -13.126 -2.882 1.00 0.00 O ATOM 1156 CB PRO A 78 -7.885 -12.413 -3.728 1.00 0.00 C ATOM 1157 CG PRO A 78 -7.295 -11.280 -4.493 1.00 0.00 C ATOM 1158 CD PRO A 78 -6.849 -10.275 -3.467 1.00 0.00 C ATOM 0 HA PRO A 78 -7.652 -12.797 -1.566 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -7.810 -13.348 -4.284 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -8.943 -12.246 -3.527 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.455 -11.615 -5.101 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.027 -10.845 -5.173 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -5.958 -9.738 -3.791 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.619 -9.528 -3.275 1.00 0.00 H new ATOM 1166 N GLY A 79 -6.253 -14.749 -2.294 1.00 0.00 N ATOM 1167 CA GLY A 79 -5.249 -15.794 -2.383 1.00 0.00 C ATOM 1168 C GLY A 79 -4.362 -15.851 -1.155 1.00 0.00 C ATOM 1169 O GLY A 79 -4.207 -16.907 -0.542 1.00 0.00 O ATOM 0 H GLY A 79 -7.182 -15.069 -2.022 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.742 -16.757 -2.516 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.632 -15.627 -3.266 1.00 0.00 H new ATOM 1173 N ALA A 80 -3.776 -14.713 -0.796 1.00 0.00 N ATOM 1174 CA ALA A 80 -2.900 -14.639 0.366 1.00 0.00 C ATOM 1175 C ALA A 80 -3.510 -15.363 1.561 1.00 0.00 C ATOM 1176 O ALA A 80 -4.731 -15.491 1.667 1.00 0.00 O ATOM 1177 CB ALA A 80 -2.612 -13.186 0.718 1.00 0.00 C ATOM 0 H ALA A 80 -3.892 -13.830 -1.294 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.962 -15.134 0.115 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.956 -13.145 1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.126 -12.697 -0.126 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.547 -12.674 0.944 1.00 0.00 H new ATOM 1183 N THR A 81 -2.654 -15.837 2.461 1.00 0.00 N ATOM 1184 CA THR A 81 -3.108 -16.550 3.647 1.00 0.00 C ATOM 1185 C THR A 81 -2.355 -16.088 4.889 1.00 0.00 C ATOM 1186 O THR A 81 -1.141 -15.887 4.870 1.00 0.00 O ATOM 1187 CB THR A 81 -2.931 -18.072 3.491 1.00 0.00 C ATOM 1188 OG1 THR A 81 -3.721 -18.548 2.395 1.00 0.00 O ATOM 1189 CG2 THR A 81 -3.333 -18.799 4.765 1.00 0.00 C ATOM 0 H THR A 81 -1.641 -15.739 2.390 1.00 0.00 H new ATOM 0 HA THR A 81 -4.168 -16.325 3.763 1.00 0.00 H new ATOM 0 HB THR A 81 -1.878 -18.273 3.294 1.00 0.00 H new ATOM 0 HG1 THR A 81 -3.601 -19.516 2.302 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.199 -19.872 4.629 1.00 0.00 H new ATOM 0 HG22 THR A 81 -2.710 -18.457 5.591 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.379 -18.589 4.989 1.00 0.00 H new ATOM 1197 N PRO A 82 -3.091 -15.914 5.998 1.00 0.00 N ATOM 1198 CA PRO A 82 -4.537 -16.149 6.033 1.00 0.00 C ATOM 1199 C PRO A 82 -5.313 -15.106 5.236 1.00 0.00 C ATOM 1200 O PRO A 82 -6.147 -15.446 4.397 1.00 0.00 O ATOM 1201 CB PRO A 82 -4.877 -16.046 7.522 1.00 0.00 C ATOM 1202 CG PRO A 82 -3.809 -15.180 8.095 1.00 0.00 C ATOM 1203 CD PRO A 82 -2.566 -15.474 7.302 1.00 0.00 C ATOM 0 HA PRO A 82 -4.805 -17.106 5.586 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.864 -15.610 7.673 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.887 -17.028 7.995 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.079 -14.127 8.020 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.657 -15.396 9.153 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.934 -14.592 7.204 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.962 -16.248 7.774 1.00 0.00 H new ATOM 1211 N ALA A 83 -5.033 -13.834 5.504 1.00 0.00 N ATOM 1212 CA ALA A 83 -5.704 -12.742 4.810 1.00 0.00 C ATOM 1213 C ALA A 83 -5.021 -11.409 5.096 1.00 0.00 C ATOM 1214 O ALA A 83 -4.897 -10.998 6.250 1.00 0.00 O ATOM 1215 CB ALA A 83 -7.170 -12.683 5.211 1.00 0.00 C ATOM 0 H ALA A 83 -4.346 -13.535 6.197 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.640 -12.931 3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.658 -11.863 4.685 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.657 -13.623 4.950 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.247 -12.521 6.286 1.00 0.00 H new ATOM 1221 N LYS A 84 -4.579 -10.737 4.039 1.00 0.00 N ATOM 1222 CA LYS A 84 -3.909 -9.449 4.176 1.00 0.00 C ATOM 1223 C LYS A 84 -4.585 -8.389 3.312 1.00 0.00 C ATOM 1224 O LYS A 84 -5.619 -8.646 2.694 1.00 0.00 O ATOM 1225 CB LYS A 84 -2.434 -9.575 3.786 1.00 0.00 C ATOM 1226 CG LYS A 84 -1.678 -10.616 4.594 1.00 0.00 C ATOM 1227 CD LYS A 84 -1.723 -11.980 3.925 1.00 0.00 C ATOM 1228 CE LYS A 84 -0.466 -12.785 4.218 1.00 0.00 C ATOM 1229 NZ LYS A 84 0.740 -12.180 3.586 1.00 0.00 N ATOM 0 H LYS A 84 -4.673 -11.063 3.077 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.978 -9.140 5.219 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.367 -9.829 2.728 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.949 -8.607 3.912 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.641 -10.302 4.714 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.108 -10.685 5.593 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.598 -12.529 4.274 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.834 -11.855 2.848 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.318 -12.848 5.296 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.594 -13.804 3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.585 -12.437 4.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.838 -12.536 2.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.640 -11.145 3.568 1.00 0.00 H new ATOM 1243 N ARG A 85 -3.994 -7.200 3.272 1.00 0.00 N ATOM 1244 CA ARG A 85 -4.540 -6.102 2.483 1.00 0.00 C ATOM 1245 C ARG A 85 -3.627 -5.771 1.306 1.00 0.00 C ATOM 1246 O ARG A 85 -2.502 -6.264 1.222 1.00 0.00 O ATOM 1247 CB ARG A 85 -4.730 -4.862 3.359 1.00 0.00 C ATOM 1248 CG ARG A 85 -5.879 -3.972 2.914 1.00 0.00 C ATOM 1249 CD ARG A 85 -6.513 -3.249 4.092 1.00 0.00 C ATOM 1250 NE ARG A 85 -7.606 -4.017 4.682 1.00 0.00 N ATOM 1251 CZ ARG A 85 -8.248 -3.652 5.786 1.00 0.00 C ATOM 1252 NH1 ARG A 85 -7.909 -2.536 6.416 1.00 0.00 N ATOM 1253 NH2 ARG A 85 -9.233 -4.404 6.261 1.00 0.00 N ATOM 0 H ARG A 85 -3.137 -6.972 3.776 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.508 -6.415 2.092 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.903 -5.178 4.388 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.808 -4.280 3.355 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.516 -3.242 2.190 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.633 -4.575 2.408 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -5.754 -3.057 4.851 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -6.887 -2.280 3.763 1.00 0.00 H new ATOM 0 HE ARG A 85 -7.892 -4.881 4.221 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.153 -1.955 6.053 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -8.404 -2.258 7.264 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -9.497 -5.263 5.778 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -9.726 -4.123 7.109 1.00 0.00 H new ATOM 1267 N PHE A 86 -4.120 -4.935 0.399 1.00 0.00 N ATOM 1268 CA PHE A 86 -3.349 -4.540 -0.775 1.00 0.00 C ATOM 1269 C PHE A 86 -2.448 -3.350 -0.458 1.00 0.00 C ATOM 1270 O PHE A 86 -2.903 -2.207 -0.407 1.00 0.00 O ATOM 1271 CB PHE A 86 -4.286 -4.190 -1.933 1.00 0.00 C ATOM 1272 CG PHE A 86 -4.602 -5.359 -2.822 1.00 0.00 C ATOM 1273 CD1 PHE A 86 -3.610 -5.953 -3.585 1.00 0.00 C ATOM 1274 CD2 PHE A 86 -5.891 -5.863 -2.894 1.00 0.00 C ATOM 1275 CE1 PHE A 86 -3.899 -7.028 -4.405 1.00 0.00 C ATOM 1276 CE2 PHE A 86 -6.185 -6.938 -3.712 1.00 0.00 C ATOM 1277 CZ PHE A 86 -5.187 -7.522 -4.467 1.00 0.00 C ATOM 0 H PHE A 86 -5.049 -4.518 0.454 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.721 -5.382 -1.067 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.216 -3.789 -1.529 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.832 -3.401 -2.532 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.600 -5.572 -3.539 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.675 -5.411 -2.304 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.118 -7.481 -4.997 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.194 -7.321 -3.761 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.413 -8.364 -5.105 1.00 0.00 H new ATOM 1287 N LYS A 87 -1.166 -3.627 -0.246 1.00 0.00 N ATOM 1288 CA LYS A 87 -0.198 -2.581 0.065 1.00 0.00 C ATOM 1289 C LYS A 87 0.533 -2.125 -1.193 1.00 0.00 C ATOM 1290 O LYS A 87 1.478 -2.774 -1.644 1.00 0.00 O ATOM 1291 CB LYS A 87 0.811 -3.083 1.101 1.00 0.00 C ATOM 1292 CG LYS A 87 1.397 -1.979 1.963 1.00 0.00 C ATOM 1293 CD LYS A 87 1.881 -2.514 3.301 1.00 0.00 C ATOM 1294 CE LYS A 87 2.106 -1.391 4.302 1.00 0.00 C ATOM 1295 NZ LYS A 87 1.971 -1.866 5.707 1.00 0.00 N ATOM 0 H LYS A 87 -0.773 -4.567 -0.284 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.740 -1.730 0.477 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.324 -3.816 1.745 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.621 -3.599 0.586 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.227 -1.507 1.437 1.00 0.00 H new ATOM 0 HG3 LYS A 87 0.645 -1.208 2.129 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.149 -3.217 3.699 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.809 -3.067 3.159 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.100 -0.967 4.156 1.00 0.00 H new ATOM 0 HE3 LYS A 87 1.388 -0.591 4.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.131 -1.072 6.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.015 -2.247 5.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.673 -2.611 5.890 1.00 0.00 H new ATOM 1309 N LEU A 88 0.092 -1.004 -1.755 1.00 0.00 N ATOM 1310 CA LEU A 88 0.706 -0.460 -2.961 1.00 0.00 C ATOM 1311 C LEU A 88 1.160 0.979 -2.739 1.00 0.00 C ATOM 1312 O LEU A 88 0.564 1.714 -1.952 1.00 0.00 O ATOM 1313 CB LEU A 88 -0.278 -0.522 -4.130 1.00 0.00 C ATOM 1314 CG LEU A 88 -1.024 -1.845 -4.310 1.00 0.00 C ATOM 1315 CD1 LEU A 88 -1.969 -1.767 -5.499 1.00 0.00 C ATOM 1316 CD2 LEU A 88 -0.041 -2.993 -4.482 1.00 0.00 C ATOM 0 H LEU A 88 -0.688 -0.455 -1.395 1.00 0.00 H new ATOM 0 HA LEU A 88 1.581 -1.065 -3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.013 0.272 -4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.267 -0.307 -5.049 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.615 -2.031 -3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.491 -2.717 -5.612 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.695 -0.971 -5.335 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.399 -1.557 -6.404 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.590 -3.926 -4.609 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.578 -2.814 -5.361 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.595 -3.063 -3.599 1.00 0.00 H new ATOM 1328 N ASN A 89 2.217 1.376 -3.440 1.00 0.00 N ATOM 1329 CA ASN A 89 2.749 2.729 -3.321 1.00 0.00 C ATOM 1330 C ASN A 89 3.449 3.153 -4.608 1.00 0.00 C ATOM 1331 O ASN A 89 3.813 2.316 -5.434 1.00 0.00 O ATOM 1332 CB ASN A 89 3.725 2.813 -2.145 1.00 0.00 C ATOM 1333 CG ASN A 89 3.034 3.182 -0.846 1.00 0.00 C ATOM 1334 OD1 ASN A 89 3.184 2.497 0.166 1.00 0.00 O ATOM 1335 ND2 ASN A 89 2.273 4.270 -0.869 1.00 0.00 N ATOM 0 H ASN A 89 2.722 0.780 -4.096 1.00 0.00 H new ATOM 0 HA ASN A 89 1.915 3.407 -3.142 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.229 1.854 -2.026 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.495 3.552 -2.367 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.784 4.568 -0.025 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.178 4.808 -1.731 1.00 0.00 H new ATOM 1342 N TYR A 90 3.634 4.459 -4.771 1.00 0.00 N ATOM 1343 CA TYR A 90 4.288 4.995 -5.959 1.00 0.00 C ATOM 1344 C TYR A 90 5.698 4.431 -6.106 1.00 0.00 C ATOM 1345 O TYR A 90 6.481 4.431 -5.157 1.00 0.00 O ATOM 1346 CB TYR A 90 4.343 6.522 -5.890 1.00 0.00 C ATOM 1347 CG TYR A 90 3.050 7.193 -6.296 1.00 0.00 C ATOM 1348 CD1 TYR A 90 2.359 6.785 -7.430 1.00 0.00 C ATOM 1349 CD2 TYR A 90 2.520 8.236 -5.545 1.00 0.00 C ATOM 1350 CE1 TYR A 90 1.177 7.396 -7.805 1.00 0.00 C ATOM 1351 CE2 TYR A 90 1.339 8.851 -5.912 1.00 0.00 C ATOM 1352 CZ TYR A 90 0.671 8.428 -7.042 1.00 0.00 C ATOM 1353 OH TYR A 90 -0.505 9.039 -7.411 1.00 0.00 O ATOM 0 H TYR A 90 3.340 5.165 -4.096 1.00 0.00 H new ATOM 0 HA TYR A 90 3.704 4.697 -6.830 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.595 6.823 -4.873 1.00 0.00 H new ATOM 0 HB3 TYR A 90 5.146 6.878 -6.536 1.00 0.00 H new ATOM 0 HD1 TYR A 90 2.752 5.977 -8.029 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.040 8.571 -4.660 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.653 7.067 -8.690 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.941 9.659 -5.317 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.723 9.745 -6.767 1.00 0.00 H new ATOM 1363 N ALA A 91 6.013 3.951 -7.304 1.00 0.00 N ATOM 1364 CA ALA A 91 7.329 3.386 -7.579 1.00 0.00 C ATOM 1365 C ALA A 91 8.436 4.291 -7.050 1.00 0.00 C ATOM 1366 O ALA A 91 9.534 3.829 -6.736 1.00 0.00 O ATOM 1367 CB ALA A 91 7.502 3.153 -9.072 1.00 0.00 C ATOM 0 H ALA A 91 5.375 3.942 -8.100 1.00 0.00 H new ATOM 0 HA ALA A 91 7.401 2.429 -7.063 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.489 2.731 -9.262 1.00 0.00 H new ATOM 0 HB2 ALA A 91 6.737 2.460 -9.423 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.404 4.101 -9.602 1.00 0.00 H new