USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 848 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 11 THR OG1 : rot 56:sc= 0.444 USER MOD Set 1.2: A 34 THR OG1 : rot -93:sc= 0.218 USER MOD Set 1.3: A 78 SER OG : rot -119:sc= 0.179 USER MOD Set 2.1: A 70 ASN : amide:sc= 0.532 K(o=0.93,f=-3.9!) USER MOD Set 2.2: A 72 THR OG1 : rot -75:sc= 0.402 USER MOD Set 3.1: A 43 SER OG : rot 180:sc= -0.0154 USER MOD Set 3.2: A 44 SER OG : rot 180:sc= 0.00129 USER MOD Set 4.1: A 16 LYS NZ :NH3+ -143:sc= -0.888! (180deg=-3.81!) USER MOD Set 4.2: A 28 THR OG1 : rot -25:sc= 0.792 USER MOD Set 5.1: A 13 GLN : amide:sc= -0.0289 K(o=0.31,f=-1.6) USER MOD Set 5.2: A 76 LYS NZ :NH3+ 145:sc= 0.342 (180deg=0.0177) USER MOD Single : A 14 THR OG1 : rot 140:sc= -0.79 USER MOD Single : A 17 GLN : amide:sc= -0.278 X(o=-0.28,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -71:sc= 0.718 USER MOD Single : A 33 HIS : no HD1:sc= -0.0891 X(o=-0.089,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= -1.46 USER MOD Single : A 40 ASN :FLIP amide:sc= -0.0373 F(o=-1.8,f=-0.037) USER MOD Single : A 41 MET CE :methyl -124:sc= -0.296 (180deg=-0.565) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 77:sc= 0.774 USER MOD Single : A 50 SER OG : rot -6:sc= 0.53 USER MOD Single : A 58 THR OG1 : rot 70:sc= 0.645 USER MOD Single : A 65 TYR OH : rot 130:sc= -0.0282 USER MOD Single : A 67 LYS NZ :NH3+ -115:sc= -0.284 (180deg=-1.85!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.124 K(o=-0.12,f=-3!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot -150:sc= -6.96! USER MOD ----------------------------------------------------------------- ATOM 84 N LEU A 6 11.693 -15.100 6.946 1.00 0.00 N ATOM 85 CA LEU A 6 11.391 -14.503 5.642 1.00 0.00 C ATOM 86 C LEU A 6 12.351 -15.023 4.541 1.00 0.00 C ATOM 87 O LEU A 6 13.395 -15.617 4.844 1.00 0.00 O ATOM 88 CB LEU A 6 11.444 -12.948 5.768 1.00 0.00 C ATOM 89 CG LEU A 6 10.509 -12.271 6.850 1.00 0.00 C ATOM 90 CD1 LEU A 6 9.113 -12.923 6.903 1.00 0.00 C ATOM 91 CD2 LEU A 6 11.178 -12.204 8.246 1.00 0.00 C ATOM 0 HA LEU A 6 10.387 -14.799 5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 6 12.473 -12.663 5.987 1.00 0.00 H new ATOM 0 HB3 LEU A 6 11.196 -12.523 4.795 1.00 0.00 H new ATOM 0 HG LEU A 6 10.359 -11.240 6.529 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.507 -12.425 7.660 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.630 -12.827 5.931 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.214 -13.978 7.156 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.497 -11.731 8.954 1.00 0.00 H new ATOM 0 HD22 LEU A 6 11.412 -13.213 8.586 1.00 0.00 H new ATOM 0 HD23 LEU A 6 12.097 -11.621 8.182 1.00 0.00 H new ATOM 103 N ARG A 7 11.967 -14.802 3.267 1.00 0.00 N ATOM 104 CA ARG A 7 12.707 -15.318 2.079 1.00 0.00 C ATOM 105 C ARG A 7 12.990 -14.194 1.040 1.00 0.00 C ATOM 106 O ARG A 7 13.978 -14.253 0.305 1.00 0.00 O ATOM 107 CB ARG A 7 11.878 -16.454 1.401 1.00 0.00 C ATOM 108 CG ARG A 7 10.499 -15.999 0.885 1.00 0.00 C ATOM 109 CD ARG A 7 9.781 -17.034 0.003 1.00 0.00 C ATOM 110 NE ARG A 7 8.633 -16.416 -0.699 1.00 0.00 N ATOM 111 CZ ARG A 7 8.017 -16.910 -1.782 1.00 0.00 C ATOM 112 NH1 ARG A 7 8.342 -18.094 -2.280 1.00 0.00 N ATOM 113 NH2 ARG A 7 7.074 -16.192 -2.367 1.00 0.00 N ATOM 0 H ARG A 7 11.136 -14.262 3.025 1.00 0.00 H new ATOM 0 HA ARG A 7 13.666 -15.704 2.425 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.451 -16.860 0.567 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.738 -17.264 2.116 1.00 0.00 H new ATOM 0 HG2 ARG A 7 9.864 -15.764 1.739 1.00 0.00 H new ATOM 0 HG3 ARG A 7 10.623 -15.077 0.316 1.00 0.00 H new ATOM 0 HD2 ARG A 7 10.480 -17.446 -0.725 1.00 0.00 H new ATOM 0 HD3 ARG A 7 9.434 -17.865 0.617 1.00 0.00 H new ATOM 0 HE ARG A 7 8.279 -15.535 -0.325 1.00 0.00 H new ATOM 0 HH11 ARG A 7 9.075 -18.649 -1.838 1.00 0.00 H new ATOM 0 HH12 ARG A 7 7.860 -18.450 -3.105 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.825 -15.276 -1.993 1.00 0.00 H new ATOM 0 HH22 ARG A 7 6.596 -16.554 -3.192 1.00 0.00 H new ATOM 127 N ASP A 8 12.093 -13.197 0.986 1.00 0.00 N ATOM 128 CA ASP A 8 12.103 -12.063 0.026 1.00 0.00 C ATOM 129 C ASP A 8 12.454 -10.748 0.768 1.00 0.00 C ATOM 130 O ASP A 8 12.891 -10.776 1.926 1.00 0.00 O ATOM 131 CB ASP A 8 10.690 -11.928 -0.642 1.00 0.00 C ATOM 132 CG ASP A 8 10.177 -13.207 -1.332 1.00 0.00 C ATOM 133 OD1 ASP A 8 10.955 -13.859 -2.057 1.00 0.00 O ATOM 134 OD2 ASP A 8 8.995 -13.579 -1.134 1.00 0.00 O ATOM 0 H ASP A 8 11.306 -13.150 1.633 1.00 0.00 H new ATOM 0 HA ASP A 8 12.852 -12.251 -0.743 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.970 -11.629 0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.727 -11.125 -1.378 1.00 0.00 H new ATOM 139 N ARG A 9 12.236 -9.599 0.091 1.00 0.00 N ATOM 140 CA ARG A 9 12.454 -8.249 0.661 1.00 0.00 C ATOM 141 C ARG A 9 11.518 -7.244 -0.044 1.00 0.00 C ATOM 142 O ARG A 9 11.314 -7.336 -1.263 1.00 0.00 O ATOM 143 CB ARG A 9 13.939 -7.816 0.479 1.00 0.00 C ATOM 144 CG ARG A 9 14.383 -6.613 1.334 1.00 0.00 C ATOM 145 CD ARG A 9 15.766 -6.072 0.934 1.00 0.00 C ATOM 146 NE ARG A 9 16.814 -7.096 0.952 1.00 0.00 N ATOM 147 CZ ARG A 9 18.104 -6.892 0.649 1.00 0.00 C ATOM 148 NH1 ARG A 9 18.544 -5.698 0.296 1.00 0.00 N ATOM 149 NH2 ARG A 9 18.943 -7.900 0.689 1.00 0.00 N ATOM 0 H ARG A 9 11.902 -9.581 -0.872 1.00 0.00 H new ATOM 0 HA ARG A 9 12.231 -8.269 1.728 1.00 0.00 H new ATOM 0 HB2 ARG A 9 14.580 -8.665 0.716 1.00 0.00 H new ATOM 0 HB3 ARG A 9 14.104 -7.575 -0.571 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.646 -5.816 1.241 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.403 -6.907 2.383 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.705 -5.641 -0.065 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.044 -5.265 1.613 1.00 0.00 H new ATOM 0 HE ARG A 9 16.539 -8.042 1.217 1.00 0.00 H new ATOM 0 HH11 ARG A 9 17.898 -4.910 0.250 1.00 0.00 H new ATOM 0 HH12 ARG A 9 19.529 -5.564 0.069 1.00 0.00 H new ATOM 0 HH21 ARG A 9 18.612 -8.829 0.949 1.00 0.00 H new ATOM 0 HH22 ARG A 9 19.926 -7.755 0.460 1.00 0.00 H new ATOM 163 N ILE A 10 10.955 -6.290 0.728 1.00 0.00 N ATOM 164 CA ILE A 10 10.031 -5.251 0.213 1.00 0.00 C ATOM 165 C ILE A 10 10.439 -3.870 0.752 1.00 0.00 C ATOM 166 O ILE A 10 11.076 -3.768 1.807 1.00 0.00 O ATOM 167 CB ILE A 10 8.507 -5.525 0.588 1.00 0.00 C ATOM 168 CG1 ILE A 10 8.143 -5.161 2.085 1.00 0.00 C ATOM 169 CG2 ILE A 10 8.083 -6.972 0.246 1.00 0.00 C ATOM 170 CD1 ILE A 10 8.946 -5.824 3.190 1.00 0.00 C ATOM 0 H ILE A 10 11.128 -6.217 1.731 1.00 0.00 H new ATOM 0 HA ILE A 10 10.110 -5.281 -0.874 1.00 0.00 H new ATOM 0 HB ILE A 10 7.929 -4.843 -0.036 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.242 -4.082 2.201 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.092 -5.404 2.243 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.037 -7.118 0.517 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.209 -7.145 -0.823 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.704 -7.674 0.803 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.585 -5.479 4.159 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.832 -6.906 3.124 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.999 -5.563 3.081 1.00 0.00 H new ATOM 182 N THR A 11 10.035 -2.822 0.030 1.00 0.00 N ATOM 183 CA THR A 11 10.156 -1.427 0.455 1.00 0.00 C ATOM 184 C THR A 11 8.779 -0.924 0.919 1.00 0.00 C ATOM 185 O THR A 11 7.794 -1.006 0.165 1.00 0.00 O ATOM 186 CB THR A 11 10.680 -0.524 -0.710 1.00 0.00 C ATOM 187 OG1 THR A 11 11.920 -1.055 -1.205 1.00 0.00 O ATOM 188 CG2 THR A 11 10.896 0.932 -0.257 1.00 0.00 C ATOM 0 H THR A 11 9.604 -2.924 -0.889 1.00 0.00 H new ATOM 0 HA THR A 11 10.874 -1.372 1.273 1.00 0.00 H new ATOM 0 HB THR A 11 9.924 -0.522 -1.495 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.790 -1.986 -1.482 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.260 1.524 -1.097 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.952 1.347 0.097 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.629 0.957 0.549 1.00 0.00 H new ATOM 196 N ILE A 12 8.725 -0.447 2.171 1.00 0.00 N ATOM 197 CA ILE A 12 7.533 0.188 2.749 1.00 0.00 C ATOM 198 C ILE A 12 7.456 1.638 2.239 1.00 0.00 C ATOM 199 O ILE A 12 8.284 2.474 2.609 1.00 0.00 O ATOM 200 CB ILE A 12 7.576 0.180 4.330 1.00 0.00 C ATOM 201 CG1 ILE A 12 7.906 -1.243 4.889 1.00 0.00 C ATOM 202 CG2 ILE A 12 6.251 0.721 4.928 1.00 0.00 C ATOM 203 CD1 ILE A 12 6.933 -2.342 4.506 1.00 0.00 C ATOM 0 H ILE A 12 9.514 -0.492 2.816 1.00 0.00 H new ATOM 0 HA ILE A 12 6.652 -0.376 2.442 1.00 0.00 H new ATOM 0 HB ILE A 12 8.381 0.847 4.638 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.900 -1.527 4.544 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.950 -1.185 5.977 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.309 0.704 6.016 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.090 1.744 4.589 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.421 0.095 4.599 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.257 -3.285 4.946 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.938 -2.092 4.875 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.903 -2.440 3.421 1.00 0.00 H new ATOM 215 N GLN A 13 6.489 1.913 1.360 1.00 0.00 N ATOM 216 CA GLN A 13 6.306 3.238 0.758 1.00 0.00 C ATOM 217 C GLN A 13 5.449 4.122 1.669 1.00 0.00 C ATOM 218 O GLN A 13 4.251 3.888 1.861 1.00 0.00 O ATOM 219 CB GLN A 13 5.704 3.142 -0.660 1.00 0.00 C ATOM 220 CG GLN A 13 6.661 2.520 -1.689 1.00 0.00 C ATOM 221 CD GLN A 13 6.128 2.608 -3.116 1.00 0.00 C ATOM 222 OE1 GLN A 13 4.921 2.555 -3.349 1.00 0.00 O ATOM 223 NE2 GLN A 13 7.018 2.787 -4.072 1.00 0.00 N ATOM 0 H GLN A 13 5.809 1.222 1.044 1.00 0.00 H new ATOM 0 HA GLN A 13 7.288 3.700 0.655 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.791 2.549 -0.619 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.421 4.140 -0.995 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.626 3.025 -1.634 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.833 1.474 -1.434 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.011 2.826 -3.843 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.713 2.886 -5.040 1.00 0.00 H new ATOM 232 N THR A 14 6.119 5.129 2.217 1.00 0.00 N ATOM 233 CA THR A 14 5.538 6.122 3.115 1.00 0.00 C ATOM 234 C THR A 14 4.887 7.249 2.294 1.00 0.00 C ATOM 235 O THR A 14 5.419 7.642 1.242 1.00 0.00 O ATOM 236 CB THR A 14 6.647 6.693 4.049 1.00 0.00 C ATOM 237 OG1 THR A 14 7.788 7.069 3.266 1.00 0.00 O ATOM 238 CG2 THR A 14 7.075 5.675 5.128 1.00 0.00 C ATOM 0 H THR A 14 7.112 5.282 2.044 1.00 0.00 H new ATOM 0 HA THR A 14 4.769 5.654 3.730 1.00 0.00 H new ATOM 0 HB THR A 14 6.235 7.564 4.558 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.157 7.910 3.608 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.849 6.115 5.756 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.214 5.413 5.743 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.464 4.777 4.647 1.00 0.00 H new ATOM 246 N LEU A 15 3.748 7.759 2.780 1.00 0.00 N ATOM 247 CA LEU A 15 2.983 8.819 2.118 1.00 0.00 C ATOM 248 C LEU A 15 3.329 10.175 2.748 1.00 0.00 C ATOM 249 O LEU A 15 3.057 10.411 3.932 1.00 0.00 O ATOM 250 CB LEU A 15 1.460 8.553 2.255 1.00 0.00 C ATOM 251 CG LEU A 15 0.522 9.623 1.614 1.00 0.00 C ATOM 252 CD1 LEU A 15 0.832 9.807 0.118 1.00 0.00 C ATOM 253 CD2 LEU A 15 -0.963 9.278 1.850 1.00 0.00 C ATOM 0 H LEU A 15 3.329 7.442 3.654 1.00 0.00 H new ATOM 0 HA LEU A 15 3.243 8.832 1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.238 7.586 1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.218 8.474 3.315 1.00 0.00 H new ATOM 0 HG LEU A 15 0.715 10.576 2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.163 10.558 -0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.865 10.133 -0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.687 8.860 -0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.591 10.042 1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.187 8.309 1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.162 9.239 2.921 1.00 0.00 H new ATOM 265 N LYS A 16 3.963 11.041 1.956 1.00 0.00 N ATOM 266 CA LYS A 16 4.203 12.441 2.308 1.00 0.00 C ATOM 267 C LYS A 16 3.159 13.333 1.620 1.00 0.00 C ATOM 268 O LYS A 16 3.121 13.430 0.389 1.00 0.00 O ATOM 269 CB LYS A 16 5.633 12.845 1.878 1.00 0.00 C ATOM 270 CG LYS A 16 5.986 14.340 2.065 1.00 0.00 C ATOM 271 CD LYS A 16 7.442 14.697 1.659 1.00 0.00 C ATOM 272 CE LYS A 16 7.734 14.579 0.144 1.00 0.00 C ATOM 273 NZ LYS A 16 7.643 13.186 -0.376 1.00 0.00 N ATOM 0 H LYS A 16 4.329 10.786 1.039 1.00 0.00 H new ATOM 0 HA LYS A 16 4.113 12.569 3.387 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.347 12.247 2.445 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.764 12.587 0.827 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.296 14.943 1.475 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.833 14.612 3.109 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.655 15.717 1.979 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.127 14.044 2.200 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.032 15.208 -0.403 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.732 14.968 -0.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.377 13.036 -1.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.783 12.514 0.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.705 13.034 -0.799 1.00 0.00 H new ATOM 287 N GLN A 17 2.297 13.946 2.428 1.00 0.00 N ATOM 288 CA GLN A 17 1.328 14.945 1.977 1.00 0.00 C ATOM 289 C GLN A 17 1.990 16.337 1.977 1.00 0.00 C ATOM 290 O GLN A 17 2.219 16.926 3.038 1.00 0.00 O ATOM 291 CB GLN A 17 0.097 14.921 2.915 1.00 0.00 C ATOM 292 CG GLN A 17 -0.751 13.643 2.824 1.00 0.00 C ATOM 293 CD GLN A 17 -1.853 13.605 3.881 1.00 0.00 C ATOM 294 OE1 GLN A 17 -1.662 13.060 4.967 1.00 0.00 O ATOM 295 NE2 GLN A 17 -2.986 14.233 3.591 1.00 0.00 N ATOM 0 H GLN A 17 2.250 13.761 3.430 1.00 0.00 H new ATOM 0 HA GLN A 17 0.999 14.718 0.963 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.438 15.043 3.943 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.536 15.778 2.685 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.199 13.576 1.832 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.106 12.772 2.942 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.106 14.673 2.679 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.736 14.276 4.281 1.00 0.00 H new ATOM 304 N THR A 18 2.351 16.817 0.782 1.00 0.00 N ATOM 305 CA THR A 18 2.890 18.173 0.570 1.00 0.00 C ATOM 306 C THR A 18 1.718 19.105 0.197 1.00 0.00 C ATOM 307 O THR A 18 0.633 18.617 -0.099 1.00 0.00 O ATOM 308 CB THR A 18 3.979 18.126 -0.558 1.00 0.00 C ATOM 309 OG1 THR A 18 4.924 17.082 -0.250 1.00 0.00 O ATOM 310 CG2 THR A 18 4.745 19.458 -0.727 1.00 0.00 C ATOM 0 H THR A 18 2.278 16.272 -0.077 1.00 0.00 H new ATOM 0 HA THR A 18 3.366 18.555 1.473 1.00 0.00 H new ATOM 0 HB THR A 18 3.458 17.935 -1.496 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.608 17.043 -0.950 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.482 19.355 -1.523 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.043 20.252 -0.983 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.251 19.708 0.206 1.00 0.00 H new ATOM 318 N ARG A 19 1.904 20.431 0.250 1.00 0.00 N ATOM 319 CA ARG A 19 0.852 21.394 -0.128 1.00 0.00 C ATOM 320 C ARG A 19 1.283 22.172 -1.386 1.00 0.00 C ATOM 321 O ARG A 19 2.455 22.144 -1.768 1.00 0.00 O ATOM 322 CB ARG A 19 0.558 22.355 1.065 1.00 0.00 C ATOM 323 CG ARG A 19 -0.776 23.146 0.956 1.00 0.00 C ATOM 324 CD ARG A 19 -1.064 24.014 2.188 1.00 0.00 C ATOM 325 NE ARG A 19 -0.035 25.044 2.385 1.00 0.00 N ATOM 326 CZ ARG A 19 0.240 25.664 3.538 1.00 0.00 C ATOM 327 NH1 ARG A 19 -0.429 25.382 4.648 1.00 0.00 N ATOM 328 NH2 ARG A 19 1.210 26.561 3.570 1.00 0.00 N ATOM 0 H ARG A 19 2.776 20.866 0.552 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.068 20.858 -0.362 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.544 21.773 1.986 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.379 23.067 1.150 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.743 23.781 0.071 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.597 22.444 0.814 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.038 24.490 2.077 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.118 23.381 3.074 1.00 0.00 H new ATOM 0 HE ARG A 19 0.519 25.310 1.571 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.169 24.680 4.633 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.203 25.867 5.517 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.737 26.772 2.723 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.431 27.042 4.442 1.00 0.00 H new ATOM 342 N ASP A 20 0.324 22.863 -2.010 1.00 0.00 N ATOM 343 CA ASP A 20 0.552 23.695 -3.208 1.00 0.00 C ATOM 344 C ASP A 20 0.432 25.166 -2.794 1.00 0.00 C ATOM 345 O ASP A 20 -0.142 25.464 -1.735 1.00 0.00 O ATOM 346 CB ASP A 20 -0.504 23.349 -4.298 1.00 0.00 C ATOM 347 CG ASP A 20 -0.212 23.995 -5.668 1.00 0.00 C ATOM 348 OD1 ASP A 20 0.529 23.396 -6.465 1.00 0.00 O ATOM 349 OD2 ASP A 20 -0.708 25.106 -5.943 1.00 0.00 O ATOM 0 H ASP A 20 -0.647 22.864 -1.698 1.00 0.00 H new ATOM 0 HA ASP A 20 1.542 23.506 -3.622 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.548 22.267 -4.418 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.487 23.672 -3.955 1.00 0.00 H new ATOM 354 N ILE A 21 0.962 26.083 -3.620 1.00 0.00 N ATOM 355 CA ILE A 21 0.850 27.540 -3.401 1.00 0.00 C ATOM 356 C ILE A 21 -0.621 28.053 -3.379 1.00 0.00 C ATOM 357 O ILE A 21 -0.879 29.164 -2.899 1.00 0.00 O ATOM 358 CB ILE A 21 1.691 28.320 -4.488 1.00 0.00 C ATOM 359 CG1 ILE A 21 1.934 29.819 -4.078 1.00 0.00 C ATOM 360 CG2 ILE A 21 1.022 28.224 -5.885 1.00 0.00 C ATOM 361 CD1 ILE A 21 2.844 30.597 -5.017 1.00 0.00 C ATOM 0 H ILE A 21 1.482 25.837 -4.462 1.00 0.00 H new ATOM 0 HA ILE A 21 1.256 27.737 -2.409 1.00 0.00 H new ATOM 0 HB ILE A 21 2.668 27.840 -4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.971 30.327 -4.024 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.363 29.842 -3.076 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.622 28.769 -6.614 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.951 27.178 -6.183 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.023 28.657 -5.840 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.953 31.619 -4.654 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.823 30.119 -5.054 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.409 30.611 -6.016 1.00 0.00 H new ATOM 373 N THR A 22 -1.600 27.230 -3.840 1.00 0.00 N ATOM 374 CA THR A 22 -3.028 27.614 -3.888 1.00 0.00 C ATOM 375 C THR A 22 -3.782 26.928 -2.718 1.00 0.00 C ATOM 376 O THR A 22 -4.942 27.233 -2.441 1.00 0.00 O ATOM 377 CB THR A 22 -3.662 27.205 -5.261 1.00 0.00 C ATOM 378 OG1 THR A 22 -3.499 25.796 -5.472 1.00 0.00 O ATOM 379 CG2 THR A 22 -3.021 27.961 -6.435 1.00 0.00 C ATOM 0 H THR A 22 -1.418 26.288 -4.186 1.00 0.00 H new ATOM 0 HA THR A 22 -3.112 28.696 -3.787 1.00 0.00 H new ATOM 0 HB THR A 22 -4.720 27.464 -5.222 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.557 25.600 -5.660 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.489 27.648 -7.368 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.164 29.033 -6.299 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.954 27.739 -6.472 1.00 0.00 H new ATOM 387 N GLY A 23 -3.079 25.989 -2.053 1.00 0.00 N ATOM 388 CA GLY A 23 -3.542 25.353 -0.816 1.00 0.00 C ATOM 389 C GLY A 23 -4.054 23.927 -0.969 1.00 0.00 C ATOM 390 O GLY A 23 -4.698 23.410 -0.048 1.00 0.00 O ATOM 0 H GLY A 23 -2.169 25.653 -2.366 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.721 25.352 -0.099 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.338 25.963 -0.389 1.00 0.00 H new ATOM 394 N GLU A 24 -3.764 23.259 -2.097 1.00 0.00 N ATOM 395 CA GLU A 24 -4.198 21.869 -2.348 1.00 0.00 C ATOM 396 C GLU A 24 -3.084 20.897 -1.916 1.00 0.00 C ATOM 397 O GLU A 24 -1.903 21.205 -2.059 1.00 0.00 O ATOM 398 CB GLU A 24 -4.523 21.685 -3.859 1.00 0.00 C ATOM 399 CG GLU A 24 -5.950 22.083 -4.299 1.00 0.00 C ATOM 400 CD GLU A 24 -6.427 23.470 -3.831 1.00 0.00 C ATOM 401 OE1 GLU A 24 -5.780 24.474 -4.171 1.00 0.00 O ATOM 402 OE2 GLU A 24 -7.460 23.561 -3.127 1.00 0.00 O ATOM 0 H GLU A 24 -3.223 23.664 -2.861 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.097 21.656 -1.769 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.809 22.271 -4.438 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.362 20.639 -4.120 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.998 22.050 -5.387 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.648 21.333 -3.926 1.00 0.00 H new ATOM 409 N ILE A 25 -3.475 19.729 -1.399 1.00 0.00 N ATOM 410 CA ILE A 25 -2.536 18.718 -0.882 1.00 0.00 C ATOM 411 C ILE A 25 -2.157 17.693 -1.981 1.00 0.00 C ATOM 412 O ILE A 25 -3.032 17.039 -2.561 1.00 0.00 O ATOM 413 CB ILE A 25 -3.147 17.976 0.365 1.00 0.00 C ATOM 414 CG1 ILE A 25 -3.481 18.993 1.504 1.00 0.00 C ATOM 415 CG2 ILE A 25 -2.212 16.852 0.881 1.00 0.00 C ATOM 416 CD1 ILE A 25 -2.291 19.787 2.030 1.00 0.00 C ATOM 0 H ILE A 25 -4.454 19.453 -1.325 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.629 19.237 -0.571 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.075 17.502 0.043 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.231 19.693 1.137 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.931 18.450 2.335 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.670 16.365 1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.054 16.119 0.090 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.254 17.282 1.174 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.624 20.464 2.816 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.546 19.101 2.433 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.851 20.364 1.217 1.00 0.00 H new ATOM 428 N LEU A 26 -0.843 17.579 -2.255 1.00 0.00 N ATOM 429 CA LEU A 26 -0.273 16.599 -3.191 1.00 0.00 C ATOM 430 C LEU A 26 0.219 15.384 -2.388 1.00 0.00 C ATOM 431 O LEU A 26 1.208 15.476 -1.650 1.00 0.00 O ATOM 432 CB LEU A 26 0.911 17.203 -4.016 1.00 0.00 C ATOM 433 CG LEU A 26 0.581 18.395 -4.980 1.00 0.00 C ATOM 434 CD1 LEU A 26 0.310 19.707 -4.208 1.00 0.00 C ATOM 435 CD2 LEU A 26 1.707 18.585 -6.022 1.00 0.00 C ATOM 0 H LEU A 26 -0.139 18.177 -1.823 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.047 16.305 -3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.675 17.538 -3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.352 16.402 -4.609 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.337 18.141 -5.509 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.086 20.506 -4.915 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.539 19.567 -3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.191 19.975 -3.625 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.457 19.417 -6.680 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.645 18.797 -5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.814 17.675 -6.612 1.00 0.00 H new ATOM 447 N GLU A 27 -0.501 14.264 -2.515 1.00 0.00 N ATOM 448 CA GLU A 27 -0.135 12.991 -1.878 1.00 0.00 C ATOM 449 C GLU A 27 0.942 12.282 -2.721 1.00 0.00 C ATOM 450 O GLU A 27 0.655 11.768 -3.804 1.00 0.00 O ATOM 451 CB GLU A 27 -1.408 12.114 -1.712 1.00 0.00 C ATOM 452 CG GLU A 27 -2.421 12.687 -0.701 1.00 0.00 C ATOM 453 CD GLU A 27 -3.729 11.878 -0.615 1.00 0.00 C ATOM 454 OE1 GLU A 27 -4.679 12.179 -1.372 1.00 0.00 O ATOM 455 OE2 GLU A 27 -3.814 10.944 0.212 1.00 0.00 O ATOM 0 H GLU A 27 -1.359 14.213 -3.065 1.00 0.00 H new ATOM 0 HA GLU A 27 0.283 13.170 -0.887 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.895 12.007 -2.681 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.112 11.115 -1.392 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.958 12.720 0.285 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.656 13.715 -0.978 1.00 0.00 H new ATOM 462 N THR A 28 2.186 12.279 -2.212 1.00 0.00 N ATOM 463 CA THR A 28 3.362 11.736 -2.922 1.00 0.00 C ATOM 464 C THR A 28 3.911 10.516 -2.179 1.00 0.00 C ATOM 465 O THR A 28 3.892 10.456 -0.944 1.00 0.00 O ATOM 466 CB THR A 28 4.490 12.808 -3.091 1.00 0.00 C ATOM 467 OG1 THR A 28 4.839 13.373 -1.814 1.00 0.00 O ATOM 468 CG2 THR A 28 4.061 13.925 -4.059 1.00 0.00 C ATOM 0 H THR A 28 2.408 12.655 -1.290 1.00 0.00 H new ATOM 0 HA THR A 28 3.033 11.440 -3.918 1.00 0.00 H new ATOM 0 HB THR A 28 5.362 12.309 -3.513 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.077 13.296 -1.203 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.867 14.653 -4.154 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.843 13.495 -5.037 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.169 14.419 -3.673 1.00 0.00 H new ATOM 476 N TRP A 29 4.438 9.564 -2.948 1.00 0.00 N ATOM 477 CA TRP A 29 4.848 8.252 -2.442 1.00 0.00 C ATOM 478 C TRP A 29 6.366 8.133 -2.494 1.00 0.00 C ATOM 479 O TRP A 29 6.958 8.000 -3.571 1.00 0.00 O ATOM 480 CB TRP A 29 4.150 7.140 -3.261 1.00 0.00 C ATOM 481 CG TRP A 29 2.650 7.164 -3.071 1.00 0.00 C ATOM 482 CD1 TRP A 29 1.710 7.733 -3.889 1.00 0.00 C ATOM 483 CD2 TRP A 29 1.939 6.643 -1.943 1.00 0.00 C ATOM 484 NE1 TRP A 29 0.459 7.552 -3.352 1.00 0.00 N ATOM 485 CE2 TRP A 29 0.574 6.892 -2.159 1.00 0.00 C ATOM 486 CE3 TRP A 29 2.332 5.978 -0.772 1.00 0.00 C ATOM 487 CZ2 TRP A 29 -0.407 6.490 -1.254 1.00 0.00 C ATOM 488 CZ3 TRP A 29 1.358 5.585 0.126 1.00 0.00 C ATOM 489 CH2 TRP A 29 0.001 5.842 -0.119 1.00 0.00 C ATOM 0 H TRP A 29 4.594 9.682 -3.949 1.00 0.00 H new ATOM 0 HA TRP A 29 4.544 8.139 -1.401 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.385 7.264 -4.318 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.540 6.167 -2.960 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.921 8.246 -4.816 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.416 7.860 -3.775 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.375 5.777 -0.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.453 6.683 -1.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.646 5.072 1.031 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.737 5.522 0.602 1.00 0.00 H new ATOM 500 N GLU A 30 6.986 8.212 -1.316 1.00 0.00 N ATOM 501 CA GLU A 30 8.436 8.099 -1.168 1.00 0.00 C ATOM 502 C GLU A 30 8.758 6.732 -0.564 1.00 0.00 C ATOM 503 O GLU A 30 8.008 6.213 0.272 1.00 0.00 O ATOM 504 CB GLU A 30 9.017 9.259 -0.313 1.00 0.00 C ATOM 505 CG GLU A 30 8.408 9.414 1.090 1.00 0.00 C ATOM 506 CD GLU A 30 9.132 10.467 1.949 1.00 0.00 C ATOM 507 OE1 GLU A 30 10.097 10.119 2.653 1.00 0.00 O ATOM 508 OE2 GLU A 30 8.746 11.645 1.913 1.00 0.00 O ATOM 0 H GLU A 30 6.494 8.357 -0.434 1.00 0.00 H new ATOM 0 HA GLU A 30 8.908 8.181 -2.147 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.092 9.108 -0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.877 10.193 -0.856 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.358 9.690 0.995 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.440 8.452 1.602 1.00 0.00 H new ATOM 515 N ASP A 31 9.873 6.159 -1.018 1.00 0.00 N ATOM 516 CA ASP A 31 10.354 4.855 -0.552 1.00 0.00 C ATOM 517 C ASP A 31 10.885 5.006 0.879 1.00 0.00 C ATOM 518 O ASP A 31 11.562 5.990 1.182 1.00 0.00 O ATOM 519 CB ASP A 31 11.449 4.311 -1.504 1.00 0.00 C ATOM 520 CG ASP A 31 10.925 3.976 -2.913 1.00 0.00 C ATOM 521 OD1 ASP A 31 10.170 2.989 -3.061 1.00 0.00 O ATOM 522 OD2 ASP A 31 11.262 4.691 -3.877 1.00 0.00 O ATOM 0 H ASP A 31 10.472 6.588 -1.723 1.00 0.00 H new ATOM 0 HA ASP A 31 9.535 4.135 -0.553 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.247 5.049 -1.587 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.888 3.415 -1.066 1.00 0.00 H new ATOM 527 N GLY A 32 10.570 4.036 1.751 1.00 0.00 N ATOM 528 CA GLY A 32 10.888 4.125 3.178 1.00 0.00 C ATOM 529 C GLY A 32 11.974 3.139 3.569 1.00 0.00 C ATOM 530 O GLY A 32 13.095 3.230 3.059 1.00 0.00 O ATOM 0 H GLY A 32 10.091 3.175 1.486 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.212 5.138 3.417 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.990 3.930 3.765 1.00 0.00 H new ATOM 534 N HIS A 33 11.641 2.174 4.449 1.00 0.00 N ATOM 535 CA HIS A 33 12.596 1.140 4.905 1.00 0.00 C ATOM 536 C HIS A 33 12.341 -0.137 4.102 1.00 0.00 C ATOM 537 O HIS A 33 11.190 -0.533 3.903 1.00 0.00 O ATOM 538 CB HIS A 33 12.446 0.860 6.426 1.00 0.00 C ATOM 539 CG HIS A 33 13.524 -0.023 7.025 1.00 0.00 C ATOM 540 ND1 HIS A 33 14.501 0.450 7.873 1.00 0.00 N ATOM 541 CD2 HIS A 33 13.742 -1.361 6.929 1.00 0.00 C ATOM 542 CE1 HIS A 33 15.267 -0.547 8.265 1.00 0.00 C ATOM 543 NE2 HIS A 33 14.828 -1.657 7.707 1.00 0.00 N ATOM 0 H HIS A 33 10.712 2.088 4.861 1.00 0.00 H new ATOM 0 HA HIS A 33 13.614 1.494 4.742 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.441 1.812 6.957 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.477 0.393 6.600 1.00 0.00 H new ATOM 0 HD2 HIS A 33 13.164 -2.062 6.345 1.00 0.00 H new ATOM 0 HE1 HIS A 33 16.113 -0.468 8.932 1.00 0.00 H new ATOM 0 HE2 HIS A 33 15.232 -2.585 7.834 1.00 0.00 H new ATOM 552 N THR A 34 13.416 -0.788 3.672 1.00 0.00 N ATOM 553 CA THR A 34 13.360 -1.991 2.845 1.00 0.00 C ATOM 554 C THR A 34 13.794 -3.204 3.698 1.00 0.00 C ATOM 555 O THR A 34 14.993 -3.425 3.895 1.00 0.00 O ATOM 556 CB THR A 34 14.294 -1.811 1.602 1.00 0.00 C ATOM 557 OG1 THR A 34 14.050 -0.524 1.008 1.00 0.00 O ATOM 558 CG2 THR A 34 14.076 -2.897 0.542 1.00 0.00 C ATOM 0 H THR A 34 14.367 -0.491 3.891 1.00 0.00 H new ATOM 0 HA THR A 34 12.345 -2.161 2.486 1.00 0.00 H new ATOM 0 HB THR A 34 15.323 -1.892 1.953 1.00 0.00 H new ATOM 0 HG1 THR A 34 13.384 -0.614 0.295 1.00 0.00 H new ATOM 0 HG21 THR A 34 14.748 -2.725 -0.298 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.281 -3.876 0.976 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.044 -2.863 0.194 1.00 0.00 H new ATOM 566 N LEU A 35 12.813 -3.949 4.259 1.00 0.00 N ATOM 567 CA LEU A 35 13.082 -5.087 5.185 1.00 0.00 C ATOM 568 C LEU A 35 12.638 -6.418 4.573 1.00 0.00 C ATOM 569 O LEU A 35 12.051 -6.462 3.496 1.00 0.00 O ATOM 570 CB LEU A 35 12.393 -4.899 6.577 1.00 0.00 C ATOM 571 CG LEU A 35 10.823 -4.772 6.594 1.00 0.00 C ATOM 572 CD1 LEU A 35 10.223 -5.275 7.930 1.00 0.00 C ATOM 573 CD2 LEU A 35 10.376 -3.319 6.316 1.00 0.00 C ATOM 0 H LEU A 35 11.821 -3.785 4.088 1.00 0.00 H new ATOM 0 HA LEU A 35 14.161 -5.103 5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.670 -5.744 7.207 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.809 -4.005 7.041 1.00 0.00 H new ATOM 0 HG LEU A 35 10.442 -5.408 5.795 1.00 0.00 H new ATOM 0 HD11 LEU A 35 9.138 -5.171 7.904 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.484 -6.323 8.074 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.624 -4.685 8.754 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.288 -3.263 6.334 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.786 -2.660 7.081 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.739 -3.008 5.336 1.00 0.00 H new ATOM 585 N TRP A 36 12.936 -7.500 5.300 1.00 0.00 N ATOM 586 CA TRP A 36 12.652 -8.877 4.875 1.00 0.00 C ATOM 587 C TRP A 36 11.127 -9.179 4.905 1.00 0.00 C ATOM 588 O TRP A 36 10.430 -8.820 5.864 1.00 0.00 O ATOM 589 CB TRP A 36 13.419 -9.875 5.788 1.00 0.00 C ATOM 590 CG TRP A 36 14.843 -9.469 6.145 1.00 0.00 C ATOM 591 CD1 TRP A 36 15.318 -9.192 7.402 1.00 0.00 C ATOM 592 CD2 TRP A 36 15.964 -9.277 5.259 1.00 0.00 C ATOM 593 NE1 TRP A 36 16.645 -8.869 7.353 1.00 0.00 N ATOM 594 CE2 TRP A 36 17.065 -8.912 6.056 1.00 0.00 C ATOM 595 CE3 TRP A 36 16.152 -9.382 3.873 1.00 0.00 C ATOM 596 CZ2 TRP A 36 18.326 -8.656 5.527 1.00 0.00 C ATOM 597 CZ3 TRP A 36 17.407 -9.130 3.355 1.00 0.00 C ATOM 598 CH2 TRP A 36 18.479 -8.774 4.178 1.00 0.00 C ATOM 0 H TRP A 36 13.387 -7.444 6.213 1.00 0.00 H new ATOM 0 HA TRP A 36 12.990 -8.994 3.845 1.00 0.00 H new ATOM 0 HB2 TRP A 36 12.854 -10.005 6.711 1.00 0.00 H new ATOM 0 HB3 TRP A 36 13.449 -10.846 5.293 1.00 0.00 H new ATOM 0 HD1 TRP A 36 14.726 -9.225 8.305 1.00 0.00 H new ATOM 0 HE1 TRP A 36 17.227 -8.634 8.157 1.00 0.00 H new ATOM 0 HE3 TRP A 36 15.332 -9.654 3.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 19.153 -8.374 6.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 17.564 -9.210 2.289 1.00 0.00 H new ATOM 0 HH2 TRP A 36 19.447 -8.589 3.736 1.00 0.00 H new ATOM 609 N ALA A 37 10.642 -9.834 3.833 1.00 0.00 N ATOM 610 CA ALA A 37 9.257 -10.353 3.726 1.00 0.00 C ATOM 611 C ALA A 37 9.242 -11.761 3.130 1.00 0.00 C ATOM 612 O ALA A 37 10.277 -12.298 2.801 1.00 0.00 O ATOM 613 CB ALA A 37 8.392 -9.419 2.876 1.00 0.00 C ATOM 0 H ALA A 37 11.205 -10.022 3.004 1.00 0.00 H new ATOM 0 HA ALA A 37 8.843 -10.398 4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.380 -9.819 2.811 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.363 -8.431 3.336 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.816 -9.341 1.875 1.00 0.00 H new ATOM 619 N SER A 38 8.067 -12.388 3.101 1.00 0.00 N ATOM 620 CA SER A 38 7.749 -13.526 2.249 1.00 0.00 C ATOM 621 C SER A 38 6.426 -13.188 1.564 1.00 0.00 C ATOM 622 O SER A 38 5.346 -13.371 2.140 1.00 0.00 O ATOM 623 CB SER A 38 7.635 -14.824 3.080 1.00 0.00 C ATOM 624 OG SER A 38 8.851 -15.108 3.745 1.00 0.00 O ATOM 0 H SER A 38 7.285 -12.105 3.692 1.00 0.00 H new ATOM 0 HA SER A 38 8.535 -13.703 1.515 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.832 -14.723 3.810 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.370 -15.656 2.427 1.00 0.00 H new ATOM 0 HG SER A 38 8.754 -15.933 4.266 1.00 0.00 H new ATOM 630 N VAL A 39 6.515 -12.667 0.342 1.00 0.00 N ATOM 631 CA VAL A 39 5.364 -12.154 -0.401 1.00 0.00 C ATOM 632 C VAL A 39 4.833 -13.272 -1.311 1.00 0.00 C ATOM 633 O VAL A 39 5.449 -13.631 -2.314 1.00 0.00 O ATOM 634 CB VAL A 39 5.735 -10.837 -1.202 1.00 0.00 C ATOM 635 CG1 VAL A 39 7.033 -10.998 -2.034 1.00 0.00 C ATOM 636 CG2 VAL A 39 4.558 -10.360 -2.086 1.00 0.00 C ATOM 0 H VAL A 39 7.396 -12.588 -0.166 1.00 0.00 H new ATOM 0 HA VAL A 39 4.573 -11.864 0.290 1.00 0.00 H new ATOM 0 HB VAL A 39 5.929 -10.064 -0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.243 -10.069 -2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.864 -11.233 -1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.905 -11.806 -2.755 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.848 -9.455 -2.620 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.303 -11.140 -2.804 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.693 -10.149 -1.457 1.00 0.00 H new ATOM 646 N ASN A 40 3.726 -13.904 -0.884 1.00 0.00 N ATOM 647 CA ASN A 40 3.085 -15.013 -1.610 1.00 0.00 C ATOM 648 C ASN A 40 1.672 -14.589 -2.029 1.00 0.00 C ATOM 649 O ASN A 40 0.857 -14.219 -1.180 1.00 0.00 O ATOM 650 CB ASN A 40 3.004 -16.303 -0.728 1.00 0.00 C ATOM 651 CG ASN A 40 4.361 -16.903 -0.326 1.00 0.00 C ATOM 652 OD1 ASN A 40 5.271 -16.094 0.202 1.00 0.00 O flip ATOM 653 ND2 ASN A 40 4.561 -18.111 -0.429 1.00 0.00 N flip ATOM 0 H ASN A 40 3.247 -13.657 -0.018 1.00 0.00 H new ATOM 0 HA ASN A 40 3.688 -15.243 -2.488 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.444 -16.071 0.178 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.435 -17.059 -1.269 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.847 -18.713 -0.838 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.441 -18.512 -0.105 1.00 0.00 H new ATOM 660 N MET A 41 1.382 -14.637 -3.337 1.00 0.00 N ATOM 661 CA MET A 41 0.026 -14.382 -3.856 1.00 0.00 C ATOM 662 C MET A 41 -0.879 -15.570 -3.506 1.00 0.00 C ATOM 663 O MET A 41 -0.409 -16.721 -3.452 1.00 0.00 O ATOM 664 CB MET A 41 0.040 -14.167 -5.393 1.00 0.00 C ATOM 665 CG MET A 41 1.004 -13.085 -5.891 1.00 0.00 C ATOM 666 SD MET A 41 0.828 -12.735 -7.667 1.00 0.00 S ATOM 667 CE MET A 41 -0.775 -11.940 -7.723 1.00 0.00 C ATOM 0 H MET A 41 2.070 -14.851 -4.059 1.00 0.00 H new ATOM 0 HA MET A 41 -0.356 -13.471 -3.394 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.298 -15.111 -5.874 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.968 -13.910 -5.717 1.00 0.00 H new ATOM 0 HG2 MET A 41 0.834 -12.168 -5.327 1.00 0.00 H new ATOM 0 HG3 MET A 41 2.028 -13.398 -5.688 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.423 -12.476 -8.416 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.221 -11.949 -6.728 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.659 -10.910 -8.059 1.00 0.00 H new ATOM 677 N VAL A 42 -2.159 -15.294 -3.239 1.00 0.00 N ATOM 678 CA VAL A 42 -3.148 -16.341 -2.981 1.00 0.00 C ATOM 679 C VAL A 42 -3.384 -17.128 -4.287 1.00 0.00 C ATOM 680 O VAL A 42 -3.480 -16.539 -5.382 1.00 0.00 O ATOM 681 CB VAL A 42 -4.504 -15.786 -2.386 1.00 0.00 C ATOM 682 CG1 VAL A 42 -4.240 -14.840 -1.188 1.00 0.00 C ATOM 683 CG2 VAL A 42 -5.409 -15.128 -3.457 1.00 0.00 C ATOM 0 H VAL A 42 -2.535 -14.347 -3.196 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.750 -17.003 -2.212 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.062 -16.646 -2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.189 -14.473 -0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.712 -15.384 -0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.633 -13.997 -1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.324 -14.767 -2.988 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.881 -14.291 -3.915 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.659 -15.862 -4.223 1.00 0.00 H new ATOM 693 N SER A 43 -3.401 -18.455 -4.168 1.00 0.00 N ATOM 694 CA SER A 43 -3.616 -19.365 -5.294 1.00 0.00 C ATOM 695 C SER A 43 -5.126 -19.520 -5.558 1.00 0.00 C ATOM 696 O SER A 43 -5.966 -18.973 -4.815 1.00 0.00 O ATOM 697 CB SER A 43 -2.950 -20.730 -4.975 1.00 0.00 C ATOM 698 OG SER A 43 -2.913 -21.581 -6.109 1.00 0.00 O ATOM 0 H SER A 43 -3.265 -18.934 -3.278 1.00 0.00 H new ATOM 0 HA SER A 43 -3.161 -18.961 -6.199 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.935 -20.563 -4.614 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.497 -21.221 -4.171 1.00 0.00 H new ATOM 0 HG SER A 43 -2.485 -22.429 -5.868 1.00 0.00 H new ATOM 704 N SER A 44 -5.454 -20.271 -6.617 1.00 0.00 N ATOM 705 CA SER A 44 -6.839 -20.623 -6.964 1.00 0.00 C ATOM 706 C SER A 44 -7.508 -21.415 -5.822 1.00 0.00 C ATOM 707 O SER A 44 -8.703 -21.281 -5.595 1.00 0.00 O ATOM 708 CB SER A 44 -6.855 -21.407 -8.291 1.00 0.00 C ATOM 709 OG SER A 44 -5.885 -22.442 -8.293 1.00 0.00 O ATOM 0 H SER A 44 -4.763 -20.654 -7.262 1.00 0.00 H new ATOM 0 HA SER A 44 -7.419 -19.710 -7.099 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.845 -21.834 -8.451 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.664 -20.726 -9.120 1.00 0.00 H new ATOM 0 HG SER A 44 -5.921 -22.922 -9.147 1.00 0.00 H new ATOM 715 N LYS A 45 -6.687 -22.191 -5.086 1.00 0.00 N ATOM 716 CA LYS A 45 -7.120 -22.931 -3.882 1.00 0.00 C ATOM 717 C LYS A 45 -7.735 -21.977 -2.838 1.00 0.00 C ATOM 718 O LYS A 45 -8.845 -22.210 -2.348 1.00 0.00 O ATOM 719 CB LYS A 45 -5.910 -23.686 -3.261 1.00 0.00 C ATOM 720 CG LYS A 45 -6.219 -24.436 -1.943 1.00 0.00 C ATOM 721 CD LYS A 45 -4.967 -25.100 -1.325 1.00 0.00 C ATOM 722 CE LYS A 45 -5.240 -25.716 0.059 1.00 0.00 C ATOM 723 NZ LYS A 45 -6.239 -26.813 0.015 1.00 0.00 N ATOM 0 H LYS A 45 -5.701 -22.323 -5.310 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.883 -23.651 -4.179 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.534 -24.403 -3.991 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.109 -22.970 -3.076 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.646 -23.737 -1.224 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.973 -25.199 -2.133 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.604 -25.877 -1.998 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.174 -24.358 -1.237 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.306 -26.098 0.472 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.593 -24.937 0.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.383 -27.190 0.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.141 -26.447 -0.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.894 -27.572 -0.607 1.00 0.00 H new ATOM 737 N GLU A 46 -7.004 -20.884 -2.549 1.00 0.00 N ATOM 738 CA GLU A 46 -7.392 -19.892 -1.525 1.00 0.00 C ATOM 739 C GLU A 46 -8.699 -19.176 -1.922 1.00 0.00 C ATOM 740 O GLU A 46 -9.596 -19.004 -1.091 1.00 0.00 O ATOM 741 CB GLU A 46 -6.260 -18.853 -1.312 1.00 0.00 C ATOM 742 CG GLU A 46 -4.842 -19.444 -1.116 1.00 0.00 C ATOM 743 CD GLU A 46 -4.739 -20.497 0.003 1.00 0.00 C ATOM 744 OE1 GLU A 46 -4.764 -20.120 1.198 1.00 0.00 O ATOM 745 OE2 GLU A 46 -4.617 -21.704 -0.307 1.00 0.00 O ATOM 0 H GLU A 46 -6.126 -20.662 -3.019 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.559 -20.425 -0.589 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.240 -18.182 -2.171 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.506 -18.247 -0.440 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.517 -19.895 -2.054 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.150 -18.631 -0.897 1.00 0.00 H new ATOM 752 N ALA A 47 -8.774 -18.789 -3.212 1.00 0.00 N ATOM 753 CA ALA A 47 -9.960 -18.133 -3.804 1.00 0.00 C ATOM 754 C ALA A 47 -11.241 -19.009 -3.692 1.00 0.00 C ATOM 755 O ALA A 47 -12.311 -18.515 -3.318 1.00 0.00 O ATOM 756 CB ALA A 47 -9.669 -17.778 -5.270 1.00 0.00 C ATOM 0 H ALA A 47 -8.011 -18.923 -3.876 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.157 -17.223 -3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -10.542 -17.294 -5.708 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.817 -17.100 -5.318 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.441 -18.687 -5.826 1.00 0.00 H new ATOM 762 N ILE A 48 -11.101 -20.307 -4.023 1.00 0.00 N ATOM 763 CA ILE A 48 -12.201 -21.302 -3.912 1.00 0.00 C ATOM 764 C ILE A 48 -12.669 -21.457 -2.448 1.00 0.00 C ATOM 765 O ILE A 48 -13.874 -21.410 -2.167 1.00 0.00 O ATOM 766 CB ILE A 48 -11.759 -22.703 -4.502 1.00 0.00 C ATOM 767 CG1 ILE A 48 -11.493 -22.594 -6.041 1.00 0.00 C ATOM 768 CG2 ILE A 48 -12.794 -23.826 -4.210 1.00 0.00 C ATOM 769 CD1 ILE A 48 -10.863 -23.832 -6.679 1.00 0.00 C ATOM 0 H ILE A 48 -10.228 -20.701 -4.374 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.041 -20.931 -4.499 1.00 0.00 H new ATOM 0 HB ILE A 48 -10.834 -22.980 -3.997 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -12.438 -22.386 -6.544 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -10.841 -21.739 -6.222 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -12.442 -24.765 -4.636 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -12.914 -23.939 -3.133 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -13.753 -23.562 -4.656 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -10.719 -23.658 -7.745 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -9.900 -24.033 -6.210 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -11.521 -24.689 -6.537 1.00 0.00 H new ATOM 781 N SER A 49 -11.703 -21.597 -1.526 1.00 0.00 N ATOM 782 CA SER A 49 -11.969 -21.810 -0.085 1.00 0.00 C ATOM 783 C SER A 49 -12.650 -20.590 0.569 1.00 0.00 C ATOM 784 O SER A 49 -13.415 -20.740 1.527 1.00 0.00 O ATOM 785 CB SER A 49 -10.648 -22.134 0.639 1.00 0.00 C ATOM 786 OG SER A 49 -10.029 -23.263 0.062 1.00 0.00 O ATOM 0 H SER A 49 -10.710 -21.566 -1.755 1.00 0.00 H new ATOM 0 HA SER A 49 -12.659 -22.649 0.007 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.977 -21.277 0.584 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.842 -22.319 1.695 1.00 0.00 H new ATOM 0 HG SER A 49 -9.593 -23.004 -0.777 1.00 0.00 H new ATOM 792 N SER A 50 -12.374 -19.402 0.030 1.00 0.00 N ATOM 793 CA SER A 50 -12.904 -18.130 0.550 1.00 0.00 C ATOM 794 C SER A 50 -14.242 -17.748 -0.113 1.00 0.00 C ATOM 795 O SER A 50 -14.959 -16.867 0.389 1.00 0.00 O ATOM 796 CB SER A 50 -11.858 -17.039 0.302 1.00 0.00 C ATOM 797 OG SER A 50 -11.622 -16.862 -1.079 1.00 0.00 O ATOM 0 H SER A 50 -11.772 -19.289 -0.786 1.00 0.00 H new ATOM 0 HA SER A 50 -13.101 -18.239 1.616 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.198 -16.100 0.739 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.926 -17.304 0.802 1.00 0.00 H new ATOM 0 HG SER A 50 -12.112 -17.544 -1.585 1.00 0.00 H new ATOM 803 N GLY A 51 -14.545 -18.375 -1.268 1.00 0.00 N ATOM 804 CA GLY A 51 -15.785 -18.113 -2.010 1.00 0.00 C ATOM 805 C GLY A 51 -15.680 -16.837 -2.840 1.00 0.00 C ATOM 806 O GLY A 51 -15.427 -16.888 -4.048 1.00 0.00 O ATOM 0 H GLY A 51 -13.940 -19.070 -1.705 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -16.004 -18.957 -2.664 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.617 -18.027 -1.311 1.00 0.00 H new ATOM 810 N ALA A 52 -15.843 -15.679 -2.172 1.00 0.00 N ATOM 811 CA ALA A 52 -15.735 -14.349 -2.813 1.00 0.00 C ATOM 812 C ALA A 52 -14.992 -13.346 -1.893 1.00 0.00 C ATOM 813 O ALA A 52 -14.975 -12.138 -2.164 1.00 0.00 O ATOM 814 CB ALA A 52 -17.139 -13.835 -3.214 1.00 0.00 C ATOM 0 H ALA A 52 -16.053 -15.636 -1.175 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.142 -14.444 -3.722 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -17.047 -12.856 -3.684 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.596 -14.533 -3.915 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -17.764 -13.753 -2.325 1.00 0.00 H new ATOM 820 N GLU A 53 -14.353 -13.858 -0.817 1.00 0.00 N ATOM 821 CA GLU A 53 -13.529 -13.036 0.102 1.00 0.00 C ATOM 822 C GLU A 53 -12.155 -12.755 -0.549 1.00 0.00 C ATOM 823 O GLU A 53 -11.741 -11.606 -0.670 1.00 0.00 O ATOM 824 CB GLU A 53 -13.374 -13.757 1.471 1.00 0.00 C ATOM 825 CG GLU A 53 -12.466 -13.052 2.505 1.00 0.00 C ATOM 826 CD GLU A 53 -13.030 -11.715 3.025 1.00 0.00 C ATOM 827 OE1 GLU A 53 -13.930 -11.734 3.895 1.00 0.00 O ATOM 828 OE2 GLU A 53 -12.579 -10.644 2.572 1.00 0.00 O ATOM 0 H GLU A 53 -14.392 -14.845 -0.561 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.023 -12.082 0.285 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -14.364 -13.880 1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -12.979 -14.757 1.291 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -12.308 -13.721 3.351 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.490 -12.872 2.054 1.00 0.00 H new ATOM 835 N LEU A 54 -11.473 -13.835 -0.972 1.00 0.00 N ATOM 836 CA LEU A 54 -10.206 -13.764 -1.734 1.00 0.00 C ATOM 837 C LEU A 54 -10.485 -14.137 -3.190 1.00 0.00 C ATOM 838 O LEU A 54 -11.360 -14.955 -3.465 1.00 0.00 O ATOM 839 CB LEU A 54 -9.128 -14.733 -1.152 1.00 0.00 C ATOM 840 CG LEU A 54 -8.736 -14.523 0.342 1.00 0.00 C ATOM 841 CD1 LEU A 54 -7.648 -15.535 0.779 1.00 0.00 C ATOM 842 CD2 LEU A 54 -8.304 -13.060 0.600 1.00 0.00 C ATOM 0 H LEU A 54 -11.785 -14.790 -0.795 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.818 -12.748 -1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.489 -15.755 -1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.226 -14.642 -1.757 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.616 -14.713 0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.393 -15.366 1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.025 -16.550 0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.759 -15.402 0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.036 -12.940 1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.444 -12.819 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.128 -12.389 0.357 1.00 0.00 H new ATOM 854 N ALA A 55 -9.736 -13.522 -4.103 1.00 0.00 N ATOM 855 CA ALA A 55 -9.769 -13.830 -5.541 1.00 0.00 C ATOM 856 C ALA A 55 -8.327 -13.980 -6.031 1.00 0.00 C ATOM 857 O ALA A 55 -7.405 -13.472 -5.379 1.00 0.00 O ATOM 858 CB ALA A 55 -10.510 -12.723 -6.313 1.00 0.00 C ATOM 0 H ALA A 55 -9.076 -12.782 -3.865 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.310 -14.760 -5.716 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.525 -12.967 -7.375 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.533 -12.645 -5.944 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.998 -11.772 -6.167 1.00 0.00 H new ATOM 864 N ILE A 56 -8.130 -14.671 -7.163 1.00 0.00 N ATOM 865 CA ILE A 56 -6.786 -14.833 -7.749 1.00 0.00 C ATOM 866 C ILE A 56 -6.242 -13.433 -8.137 1.00 0.00 C ATOM 867 O ILE A 56 -6.876 -12.719 -8.921 1.00 0.00 O ATOM 868 CB ILE A 56 -6.796 -15.768 -9.020 1.00 0.00 C ATOM 869 CG1 ILE A 56 -7.471 -17.142 -8.699 1.00 0.00 C ATOM 870 CG2 ILE A 56 -5.360 -15.966 -9.584 1.00 0.00 C ATOM 871 CD1 ILE A 56 -7.597 -18.089 -9.890 1.00 0.00 C ATOM 0 H ILE A 56 -8.876 -15.125 -7.690 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.146 -15.307 -7.005 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.389 -15.276 -9.791 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -6.896 -17.639 -7.917 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -8.466 -16.956 -8.294 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.399 -16.615 -10.459 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.944 -14.999 -9.867 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.729 -16.423 -8.821 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -8.076 -19.014 -9.570 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.199 -17.618 -10.667 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.606 -18.312 -10.284 1.00 0.00 H new ATOM 883 N GLY A 57 -5.098 -13.050 -7.550 1.00 0.00 N ATOM 884 CA GLY A 57 -4.538 -11.691 -7.695 1.00 0.00 C ATOM 885 C GLY A 57 -4.452 -10.945 -6.361 1.00 0.00 C ATOM 886 O GLY A 57 -3.819 -9.882 -6.281 1.00 0.00 O ATOM 0 H GLY A 57 -4.535 -13.667 -6.964 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.543 -11.757 -8.135 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.156 -11.119 -8.388 1.00 0.00 H new ATOM 890 N THR A 58 -5.091 -11.505 -5.310 1.00 0.00 N ATOM 891 CA THR A 58 -4.871 -11.065 -3.919 1.00 0.00 C ATOM 892 C THR A 58 -3.475 -11.539 -3.485 1.00 0.00 C ATOM 893 O THR A 58 -3.046 -12.629 -3.863 1.00 0.00 O ATOM 894 CB THR A 58 -5.954 -11.633 -2.936 1.00 0.00 C ATOM 895 OG1 THR A 58 -7.262 -11.362 -3.442 1.00 0.00 O ATOM 896 CG2 THR A 58 -5.826 -11.052 -1.512 1.00 0.00 C ATOM 0 H THR A 58 -5.765 -12.265 -5.402 1.00 0.00 H new ATOM 0 HA THR A 58 -4.948 -9.978 -3.881 1.00 0.00 H new ATOM 0 HB THR A 58 -5.789 -12.708 -2.869 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.427 -11.915 -4.234 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.600 -11.479 -0.874 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.845 -11.297 -1.106 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.943 -9.969 -1.549 1.00 0.00 H new ATOM 904 N VAL A 59 -2.752 -10.696 -2.746 1.00 0.00 N ATOM 905 CA VAL A 59 -1.372 -10.971 -2.317 1.00 0.00 C ATOM 906 C VAL A 59 -1.263 -10.912 -0.782 1.00 0.00 C ATOM 907 O VAL A 59 -1.595 -9.894 -0.175 1.00 0.00 O ATOM 908 CB VAL A 59 -0.375 -9.934 -2.952 1.00 0.00 C ATOM 909 CG1 VAL A 59 1.089 -10.298 -2.612 1.00 0.00 C ATOM 910 CG2 VAL A 59 -0.591 -9.803 -4.486 1.00 0.00 C ATOM 0 H VAL A 59 -3.107 -9.795 -2.424 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.108 -11.972 -2.658 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.584 -8.958 -2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.760 -9.566 -3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.223 -10.296 -1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.318 -11.289 -3.004 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.115 -9.078 -4.892 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.430 -10.771 -4.960 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.609 -9.468 -4.683 1.00 0.00 H new ATOM 920 N ARG A 60 -0.810 -12.014 -0.164 1.00 0.00 N ATOM 921 CA ARG A 60 -0.469 -12.051 1.271 1.00 0.00 C ATOM 922 C ARG A 60 1.029 -11.773 1.430 1.00 0.00 C ATOM 923 O ARG A 60 1.851 -12.310 0.681 1.00 0.00 O ATOM 924 CB ARG A 60 -0.862 -13.411 1.898 1.00 0.00 C ATOM 925 CG ARG A 60 -2.387 -13.625 1.974 1.00 0.00 C ATOM 926 CD ARG A 60 -2.775 -14.926 2.692 1.00 0.00 C ATOM 927 NE ARG A 60 -2.314 -16.131 1.970 1.00 0.00 N ATOM 928 CZ ARG A 60 -2.917 -17.333 1.996 1.00 0.00 C ATOM 929 NH1 ARG A 60 -4.045 -17.522 2.677 1.00 0.00 N ATOM 930 NH2 ARG A 60 -2.395 -18.342 1.322 1.00 0.00 N ATOM 0 H ARG A 60 -0.669 -12.904 -0.642 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.032 -11.283 1.801 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.417 -14.216 1.313 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.442 -13.476 2.902 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.841 -12.781 2.493 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.797 -13.637 0.964 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.351 -14.923 3.696 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -3.858 -14.966 2.804 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.469 -16.044 1.406 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.466 -16.748 3.191 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.488 -18.441 2.685 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.538 -18.208 0.785 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.849 -19.255 1.339 1.00 0.00 H new ATOM 944 N ILE A 61 1.378 -10.924 2.404 1.00 0.00 N ATOM 945 CA ILE A 61 2.745 -10.406 2.567 1.00 0.00 C ATOM 946 C ILE A 61 3.148 -10.540 4.034 1.00 0.00 C ATOM 947 O ILE A 61 2.646 -9.829 4.903 1.00 0.00 O ATOM 948 CB ILE A 61 2.861 -8.907 2.089 1.00 0.00 C ATOM 949 CG1 ILE A 61 2.374 -8.780 0.606 1.00 0.00 C ATOM 950 CG2 ILE A 61 4.308 -8.374 2.273 1.00 0.00 C ATOM 951 CD1 ILE A 61 2.304 -7.379 0.050 1.00 0.00 C ATOM 0 H ILE A 61 0.722 -10.576 3.103 1.00 0.00 H new ATOM 0 HA ILE A 61 3.421 -10.989 1.942 1.00 0.00 H new ATOM 0 HB ILE A 61 2.215 -8.286 2.709 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.040 -9.367 -0.026 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.384 -9.230 0.530 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.360 -7.339 1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.584 -8.427 3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.997 -8.982 1.686 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.955 -7.414 -0.982 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.612 -6.785 0.647 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.294 -6.925 0.083 1.00 0.00 H new ATOM 963 N TRP A 62 4.048 -11.484 4.283 1.00 0.00 N ATOM 964 CA TRP A 62 4.495 -11.845 5.627 1.00 0.00 C ATOM 965 C TRP A 62 5.779 -11.097 5.946 1.00 0.00 C ATOM 966 O TRP A 62 6.777 -11.324 5.306 1.00 0.00 O ATOM 967 CB TRP A 62 4.732 -13.382 5.689 1.00 0.00 C ATOM 968 CG TRP A 62 3.474 -14.222 5.588 1.00 0.00 C ATOM 969 CD1 TRP A 62 2.367 -13.997 4.809 1.00 0.00 C ATOM 970 CD2 TRP A 62 3.214 -15.437 6.288 1.00 0.00 C ATOM 971 NE1 TRP A 62 1.438 -14.973 5.016 1.00 0.00 N ATOM 972 CE2 TRP A 62 1.932 -15.874 5.918 1.00 0.00 C ATOM 973 CE3 TRP A 62 3.943 -16.184 7.208 1.00 0.00 C ATOM 974 CZ2 TRP A 62 1.362 -17.030 6.439 1.00 0.00 C ATOM 975 CZ3 TRP A 62 3.384 -17.333 7.719 1.00 0.00 C ATOM 976 CH2 TRP A 62 2.103 -17.747 7.336 1.00 0.00 C ATOM 0 H TRP A 62 4.496 -12.030 3.547 1.00 0.00 H new ATOM 0 HA TRP A 62 3.737 -11.573 6.361 1.00 0.00 H new ATOM 0 HB2 TRP A 62 5.407 -13.665 4.881 1.00 0.00 H new ATOM 0 HB3 TRP A 62 5.237 -13.620 6.625 1.00 0.00 H new ATOM 0 HD1 TRP A 62 2.249 -13.166 4.129 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.522 -15.023 4.570 1.00 0.00 H new ATOM 0 HE3 TRP A 62 4.929 -15.868 7.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 0.373 -17.349 6.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 3.943 -17.926 8.428 1.00 0.00 H new ATOM 0 HH2 TRP A 62 1.692 -18.652 7.758 1.00 0.00 H new ATOM 987 N ILE A 63 5.765 -10.217 6.939 1.00 0.00 N ATOM 988 CA ILE A 63 6.984 -9.508 7.384 1.00 0.00 C ATOM 989 C ILE A 63 7.189 -9.810 8.861 1.00 0.00 C ATOM 990 O ILE A 63 6.256 -10.256 9.531 1.00 0.00 O ATOM 991 CB ILE A 63 6.906 -7.953 7.161 1.00 0.00 C ATOM 992 CG1 ILE A 63 5.649 -7.352 7.857 1.00 0.00 C ATOM 993 CG2 ILE A 63 6.924 -7.600 5.654 1.00 0.00 C ATOM 994 CD1 ILE A 63 5.589 -5.841 7.822 1.00 0.00 C ATOM 0 H ILE A 63 4.925 -9.968 7.461 1.00 0.00 H new ATOM 0 HA ILE A 63 7.823 -9.861 6.784 1.00 0.00 H new ATOM 0 HB ILE A 63 7.790 -7.509 7.617 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.755 -7.752 7.378 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.629 -7.682 8.896 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.869 -6.518 5.533 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.846 -7.969 5.205 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.070 -8.064 5.161 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.685 -5.501 8.327 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.463 -5.430 8.327 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.576 -5.501 6.786 1.00 0.00 H new ATOM 1006 N ARG A 64 8.419 -9.640 9.355 1.00 0.00 N ATOM 1007 CA ARG A 64 8.691 -9.652 10.802 1.00 0.00 C ATOM 1008 C ARG A 64 7.798 -8.584 11.511 1.00 0.00 C ATOM 1009 O ARG A 64 7.649 -7.467 11.005 1.00 0.00 O ATOM 1010 CB ARG A 64 10.219 -9.428 11.058 1.00 0.00 C ATOM 1011 CG ARG A 64 10.750 -9.921 12.436 1.00 0.00 C ATOM 1012 CD ARG A 64 10.369 -9.015 13.622 1.00 0.00 C ATOM 1013 NE ARG A 64 10.519 -9.697 14.917 1.00 0.00 N ATOM 1014 CZ ARG A 64 9.842 -9.379 16.031 1.00 0.00 C ATOM 1015 NH1 ARG A 64 9.032 -8.324 16.065 1.00 0.00 N ATOM 1016 NH2 ARG A 64 10.000 -10.107 17.127 1.00 0.00 N ATOM 0 H ARG A 64 9.246 -9.492 8.776 1.00 0.00 H new ATOM 0 HA ARG A 64 8.435 -10.623 11.227 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.779 -9.934 10.271 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.432 -8.363 10.967 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.367 -10.924 12.622 1.00 0.00 H new ATOM 0 HG3 ARG A 64 11.836 -9.999 12.387 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.994 -8.122 13.610 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.337 -8.683 13.506 1.00 0.00 H new ATOM 0 HE ARG A 64 11.186 -10.467 14.972 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.918 -7.742 15.235 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.525 -8.097 16.921 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.634 -10.906 17.122 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.487 -9.869 17.976 1.00 0.00 H new ATOM 1030 N TYR A 65 7.216 -8.985 12.671 1.00 0.00 N ATOM 1031 CA TYR A 65 6.200 -8.219 13.438 1.00 0.00 C ATOM 1032 C TYR A 65 6.589 -6.745 13.657 1.00 0.00 C ATOM 1033 O TYR A 65 7.583 -6.456 14.329 1.00 0.00 O ATOM 1034 CB TYR A 65 5.980 -8.921 14.803 1.00 0.00 C ATOM 1035 CG TYR A 65 4.830 -8.360 15.668 1.00 0.00 C ATOM 1036 CD1 TYR A 65 3.537 -8.864 15.542 1.00 0.00 C ATOM 1037 CD2 TYR A 65 5.037 -7.338 16.602 1.00 0.00 C ATOM 1038 CE1 TYR A 65 2.505 -8.383 16.315 1.00 0.00 C ATOM 1039 CE2 TYR A 65 4.004 -6.862 17.375 1.00 0.00 C ATOM 1040 CZ TYR A 65 2.739 -7.383 17.224 1.00 0.00 C ATOM 1041 OH TYR A 65 1.704 -6.914 18.001 1.00 0.00 O ATOM 0 H TYR A 65 7.448 -9.876 13.111 1.00 0.00 H new ATOM 0 HA TYR A 65 5.281 -8.206 12.852 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.790 -9.979 14.620 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.905 -8.858 15.376 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.341 -9.647 14.824 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.025 -6.916 16.717 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.512 -8.793 16.206 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.185 -6.081 18.099 1.00 0.00 H new ATOM 0 HH TYR A 65 1.979 -6.905 18.942 1.00 0.00 H new ATOM 1051 N ARG A 66 5.803 -5.833 13.054 1.00 0.00 N ATOM 1052 CA ARG A 66 5.901 -4.379 13.292 1.00 0.00 C ATOM 1053 C ARG A 66 4.493 -3.789 13.394 1.00 0.00 C ATOM 1054 O ARG A 66 3.732 -3.835 12.422 1.00 0.00 O ATOM 1055 CB ARG A 66 6.663 -3.636 12.154 1.00 0.00 C ATOM 1056 CG ARG A 66 8.062 -4.182 11.841 1.00 0.00 C ATOM 1057 CD ARG A 66 8.834 -3.297 10.856 1.00 0.00 C ATOM 1058 NE ARG A 66 9.091 -1.965 11.434 1.00 0.00 N ATOM 1059 CZ ARG A 66 8.879 -0.788 10.838 1.00 0.00 C ATOM 1060 NH1 ARG A 66 8.433 -0.722 9.590 1.00 0.00 N ATOM 1061 NH2 ARG A 66 9.128 0.328 11.494 1.00 0.00 N ATOM 0 H ARG A 66 5.077 -6.085 12.383 1.00 0.00 H new ATOM 0 HA ARG A 66 6.460 -4.242 14.218 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.061 -3.681 11.246 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.753 -2.584 12.425 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.630 -4.269 12.767 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.972 -5.186 11.427 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.779 -3.774 10.597 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.265 -3.193 9.932 1.00 0.00 H new ATOM 0 HE ARG A 66 9.467 -1.940 12.382 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.246 -1.579 9.069 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.277 0.186 9.151 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.480 0.290 12.450 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.968 1.230 11.045 1.00 0.00 H new ATOM 1075 N LYS A 67 4.170 -3.186 14.549 1.00 0.00 N ATOM 1076 CA LYS A 67 2.907 -2.438 14.737 1.00 0.00 C ATOM 1077 C LYS A 67 3.006 -1.019 14.124 1.00 0.00 C ATOM 1078 O LYS A 67 2.097 -0.205 14.285 1.00 0.00 O ATOM 1079 CB LYS A 67 2.552 -2.327 16.244 1.00 0.00 C ATOM 1080 CG LYS A 67 2.432 -3.671 16.974 1.00 0.00 C ATOM 1081 CD LYS A 67 1.945 -3.560 18.447 1.00 0.00 C ATOM 1082 CE LYS A 67 2.839 -2.700 19.367 1.00 0.00 C ATOM 1083 NZ LYS A 67 2.619 -1.235 19.186 1.00 0.00 N ATOM 0 H LYS A 67 4.768 -3.200 15.375 1.00 0.00 H new ATOM 0 HA LYS A 67 2.119 -2.990 14.224 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.314 -1.726 16.740 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.609 -1.790 16.343 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.742 -4.310 16.423 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.403 -4.166 16.961 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.938 -3.143 18.450 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.876 -4.563 18.867 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.645 -2.966 20.406 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.885 -2.932 19.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.483 -0.799 18.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.833 -1.081 18.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.388 -0.803 20.103 1.00 0.00 H new ATOM 1097 N ASP A 68 4.111 -0.743 13.401 1.00 0.00 N ATOM 1098 CA ASP A 68 4.377 0.578 12.798 1.00 0.00 C ATOM 1099 C ASP A 68 3.819 0.630 11.370 1.00 0.00 C ATOM 1100 O ASP A 68 3.518 1.709 10.851 1.00 0.00 O ATOM 1101 CB ASP A 68 5.908 0.850 12.809 1.00 0.00 C ATOM 1102 CG ASP A 68 6.310 2.157 12.095 1.00 0.00 C ATOM 1103 OD1 ASP A 68 5.973 3.250 12.602 1.00 0.00 O ATOM 1104 OD2 ASP A 68 6.963 2.100 11.029 1.00 0.00 O ATOM 0 H ASP A 68 4.843 -1.430 13.219 1.00 0.00 H new ATOM 0 HA ASP A 68 3.879 1.353 13.380 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.254 0.889 13.842 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.420 0.014 12.333 1.00 0.00 H new ATOM 1109 N ILE A 69 3.651 -0.547 10.757 1.00 0.00 N ATOM 1110 CA ILE A 69 3.097 -0.668 9.400 1.00 0.00 C ATOM 1111 C ILE A 69 1.614 -0.284 9.419 1.00 0.00 C ATOM 1112 O ILE A 69 0.864 -0.759 10.277 1.00 0.00 O ATOM 1113 CB ILE A 69 3.272 -2.119 8.828 1.00 0.00 C ATOM 1114 CG1 ILE A 69 4.763 -2.558 8.921 1.00 0.00 C ATOM 1115 CG2 ILE A 69 2.734 -2.219 7.372 1.00 0.00 C ATOM 1116 CD1 ILE A 69 5.733 -1.749 8.081 1.00 0.00 C ATOM 0 H ILE A 69 3.894 -1.441 11.184 1.00 0.00 H new ATOM 0 HA ILE A 69 3.647 0.010 8.746 1.00 0.00 H new ATOM 0 HB ILE A 69 2.679 -2.804 9.434 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.077 -2.501 9.963 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.835 -3.604 8.623 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.869 -3.236 7.003 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.674 -1.966 7.358 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.281 -1.526 6.733 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.743 -2.136 8.218 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.455 -1.824 7.030 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.699 -0.705 8.391 1.00 0.00 H new ATOM 1128 N ASN A 70 1.215 0.591 8.489 1.00 0.00 N ATOM 1129 CA ASN A 70 -0.159 1.122 8.400 1.00 0.00 C ATOM 1130 C ASN A 70 -0.715 0.852 6.990 1.00 0.00 C ATOM 1131 O ASN A 70 0.054 0.580 6.066 1.00 0.00 O ATOM 1132 CB ASN A 70 -0.146 2.646 8.718 1.00 0.00 C ATOM 1133 CG ASN A 70 -1.538 3.216 9.005 1.00 0.00 C ATOM 1134 OD1 ASN A 70 -2.243 3.660 8.101 1.00 0.00 O ATOM 1135 ND2 ASN A 70 -1.941 3.216 10.269 1.00 0.00 N ATOM 0 H ASN A 70 1.838 0.956 7.769 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.804 0.627 9.126 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.497 2.825 9.580 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.292 3.182 7.876 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -2.858 3.591 10.512 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.334 2.841 10.998 1.00 0.00 H new ATOM 1142 N ALA A 71 -2.049 0.937 6.835 1.00 0.00 N ATOM 1143 CA ALA A 71 -2.730 0.739 5.537 1.00 0.00 C ATOM 1144 C ALA A 71 -2.428 1.889 4.539 1.00 0.00 C ATOM 1145 O ALA A 71 -2.659 1.746 3.331 1.00 0.00 O ATOM 1146 CB ALA A 71 -4.244 0.571 5.756 1.00 0.00 C ATOM 0 H ALA A 71 -2.687 1.145 7.604 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.338 -0.173 5.088 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.737 0.426 4.795 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.426 -0.296 6.392 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.643 1.464 6.237 1.00 0.00 H new ATOM 1152 N THR A 72 -1.898 3.023 5.057 1.00 0.00 N ATOM 1153 CA THR A 72 -1.462 4.172 4.234 1.00 0.00 C ATOM 1154 C THR A 72 -0.037 3.966 3.678 1.00 0.00 C ATOM 1155 O THR A 72 0.520 4.858 3.039 1.00 0.00 O ATOM 1156 CB THR A 72 -1.526 5.506 5.055 1.00 0.00 C ATOM 1157 OG1 THR A 72 -0.671 5.413 6.210 1.00 0.00 O ATOM 1158 CG2 THR A 72 -2.961 5.832 5.507 1.00 0.00 C ATOM 0 H THR A 72 -1.762 3.165 6.058 1.00 0.00 H new ATOM 0 HA THR A 72 -2.150 4.242 3.391 1.00 0.00 H new ATOM 0 HB THR A 72 -1.186 6.310 4.402 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.095 4.843 6.885 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.961 6.764 6.073 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.603 5.938 4.632 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.336 5.025 6.137 1.00 0.00 H new ATOM 1166 N SER A 73 0.554 2.792 3.961 1.00 0.00 N ATOM 1167 CA SER A 73 1.837 2.365 3.387 1.00 0.00 C ATOM 1168 C SER A 73 1.563 1.366 2.250 1.00 0.00 C ATOM 1169 O SER A 73 0.672 0.526 2.375 1.00 0.00 O ATOM 1170 CB SER A 73 2.717 1.731 4.493 1.00 0.00 C ATOM 1171 OG SER A 73 2.882 2.617 5.597 1.00 0.00 O ATOM 0 H SER A 73 0.149 2.109 4.601 1.00 0.00 H new ATOM 0 HA SER A 73 2.376 3.221 2.980 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.261 0.802 4.835 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.693 1.474 4.081 1.00 0.00 H new ATOM 0 HG SER A 73 3.440 2.189 6.279 1.00 0.00 H new ATOM 1177 N ARG A 74 2.287 1.494 1.127 1.00 0.00 N ATOM 1178 CA ARG A 74 2.176 0.552 -0.013 1.00 0.00 C ATOM 1179 C ARG A 74 3.413 -0.344 -0.047 1.00 0.00 C ATOM 1180 O ARG A 74 4.541 0.137 0.100 1.00 0.00 O ATOM 1181 CB ARG A 74 2.037 1.310 -1.356 1.00 0.00 C ATOM 1182 CG ARG A 74 0.815 2.233 -1.434 1.00 0.00 C ATOM 1183 CD ARG A 74 0.875 3.211 -2.620 1.00 0.00 C ATOM 1184 NE ARG A 74 0.876 2.572 -3.938 1.00 0.00 N ATOM 1185 CZ ARG A 74 1.031 3.239 -5.093 1.00 0.00 C ATOM 1186 NH1 ARG A 74 1.213 4.556 -5.103 1.00 0.00 N ATOM 1187 NH2 ARG A 74 0.979 2.594 -6.238 1.00 0.00 N ATOM 0 H ARG A 74 2.962 2.244 0.978 1.00 0.00 H new ATOM 0 HA ARG A 74 1.281 -0.054 0.123 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.937 1.903 -1.520 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.981 0.583 -2.166 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.087 1.626 -1.516 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.735 2.800 -0.506 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.023 3.888 -2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.773 3.821 -2.526 1.00 0.00 H new ATOM 0 HE ARG A 74 0.752 1.561 -3.981 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.236 5.074 -4.225 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.329 5.048 -5.989 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.821 1.586 -6.249 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.097 3.101 -7.115 1.00 0.00 H new ATOM 1201 N ILE A 75 3.199 -1.645 -0.237 1.00 0.00 N ATOM 1202 CA ILE A 75 4.267 -2.642 -0.200 1.00 0.00 C ATOM 1203 C ILE A 75 4.796 -2.905 -1.626 1.00 0.00 C ATOM 1204 O ILE A 75 4.150 -3.606 -2.408 1.00 0.00 O ATOM 1205 CB ILE A 75 3.736 -3.980 0.427 1.00 0.00 C ATOM 1206 CG1 ILE A 75 2.978 -3.730 1.776 1.00 0.00 C ATOM 1207 CG2 ILE A 75 4.890 -4.984 0.602 1.00 0.00 C ATOM 1208 CD1 ILE A 75 3.805 -3.095 2.877 1.00 0.00 C ATOM 0 H ILE A 75 2.276 -2.038 -0.422 1.00 0.00 H new ATOM 0 HA ILE A 75 5.081 -2.260 0.416 1.00 0.00 H new ATOM 0 HB ILE A 75 3.011 -4.411 -0.263 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.117 -3.092 1.577 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.591 -4.683 2.138 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.507 -5.907 1.038 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.336 -5.199 -0.369 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.646 -4.558 1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.188 -2.965 3.766 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.652 -3.739 3.114 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.170 -2.124 2.544 1.00 0.00 H new ATOM 1220 N LYS A 76 5.966 -2.335 -1.966 1.00 0.00 N ATOM 1221 CA LYS A 76 6.594 -2.540 -3.286 1.00 0.00 C ATOM 1222 C LYS A 76 7.761 -3.522 -3.149 1.00 0.00 C ATOM 1223 O LYS A 76 8.767 -3.207 -2.518 1.00 0.00 O ATOM 1224 CB LYS A 76 7.075 -1.202 -3.891 1.00 0.00 C ATOM 1225 CG LYS A 76 7.606 -1.338 -5.337 1.00 0.00 C ATOM 1226 CD LYS A 76 8.014 0.009 -5.964 1.00 0.00 C ATOM 1227 CE LYS A 76 9.181 0.685 -5.231 1.00 0.00 C ATOM 1228 NZ LYS A 76 9.551 1.989 -5.838 1.00 0.00 N ATOM 0 H LYS A 76 6.498 -1.727 -1.343 1.00 0.00 H new ATOM 0 HA LYS A 76 5.851 -2.957 -3.965 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.250 -0.489 -3.880 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.862 -0.788 -3.260 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.466 -2.008 -5.340 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.839 -1.802 -5.957 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.291 -0.151 -7.006 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.154 0.679 -5.962 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.911 0.837 -4.186 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.047 0.023 -5.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.851 2.647 -5.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.332 1.850 -6.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.730 2.385 -6.338 1.00 0.00 H new ATOM 1242 N VAL A 77 7.616 -4.717 -3.746 1.00 0.00 N ATOM 1243 CA VAL A 77 8.579 -5.823 -3.586 1.00 0.00 C ATOM 1244 C VAL A 77 9.910 -5.526 -4.308 1.00 0.00 C ATOM 1245 O VAL A 77 9.942 -5.322 -5.527 1.00 0.00 O ATOM 1246 CB VAL A 77 7.971 -7.173 -4.099 1.00 0.00 C ATOM 1247 CG1 VAL A 77 8.968 -8.355 -3.982 1.00 0.00 C ATOM 1248 CG2 VAL A 77 6.657 -7.480 -3.354 1.00 0.00 C ATOM 0 H VAL A 77 6.829 -4.945 -4.353 1.00 0.00 H new ATOM 0 HA VAL A 77 8.789 -5.918 -2.521 1.00 0.00 H new ATOM 0 HB VAL A 77 7.757 -7.053 -5.161 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.497 -9.266 -4.351 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.857 -8.141 -4.575 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.251 -8.490 -2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.243 -8.420 -3.718 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.855 -7.561 -2.285 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.942 -6.676 -3.531 1.00 0.00 H new ATOM 1258 N SER A 78 10.986 -5.507 -3.513 1.00 0.00 N ATOM 1259 CA SER A 78 12.363 -5.250 -3.971 1.00 0.00 C ATOM 1260 C SER A 78 12.995 -6.502 -4.612 1.00 0.00 C ATOM 1261 O SER A 78 13.799 -6.393 -5.545 1.00 0.00 O ATOM 1262 CB SER A 78 13.185 -4.765 -2.768 1.00 0.00 C ATOM 1263 OG SER A 78 12.516 -3.699 -2.118 1.00 0.00 O ATOM 0 H SER A 78 10.926 -5.674 -2.508 1.00 0.00 H new ATOM 0 HA SER A 78 12.351 -4.484 -4.746 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.340 -5.587 -2.069 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.170 -4.438 -3.099 1.00 0.00 H new ATOM 0 HG SER A 78 13.075 -2.894 -2.150 1.00 0.00 H new ATOM 1269 N THR A 79 12.597 -7.681 -4.115 1.00 0.00 N ATOM 1270 CA THR A 79 13.086 -8.971 -4.624 1.00 0.00 C ATOM 1271 C THR A 79 12.111 -10.076 -4.205 1.00 0.00 C ATOM 1272 O THR A 79 11.542 -10.025 -3.111 1.00 0.00 O ATOM 1273 CB THR A 79 14.547 -9.301 -4.150 1.00 0.00 C ATOM 1274 OG1 THR A 79 15.060 -10.419 -4.889 1.00 0.00 O ATOM 1275 CG2 THR A 79 14.639 -9.597 -2.644 1.00 0.00 C ATOM 0 H THR A 79 11.928 -7.768 -3.350 1.00 0.00 H new ATOM 0 HA THR A 79 13.132 -8.907 -5.711 1.00 0.00 H new ATOM 0 HB THR A 79 15.146 -8.411 -4.340 1.00 0.00 H new ATOM 0 HG1 THR A 79 15.972 -10.618 -4.590 1.00 0.00 H new ATOM 0 HG21 THR A 79 15.673 -9.817 -2.379 1.00 0.00 H new ATOM 0 HG22 THR A 79 14.297 -8.728 -2.081 1.00 0.00 H new ATOM 0 HG23 THR A 79 14.012 -10.455 -2.403 1.00 0.00 H new ATOM 1283 N GLY A 80 11.906 -11.056 -5.103 1.00 0.00 N ATOM 1284 CA GLY A 80 10.936 -12.132 -4.888 1.00 0.00 C ATOM 1285 C GLY A 80 10.098 -12.394 -6.129 1.00 0.00 C ATOM 1286 O GLY A 80 10.508 -11.996 -7.223 1.00 0.00 O ATOM 0 H GLY A 80 12.406 -11.120 -5.990 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.462 -13.044 -4.605 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.282 -11.871 -4.056 1.00 0.00 H new ATOM 1290 N PRO A 81 8.905 -13.059 -6.006 1.00 0.00 N ATOM 1291 CA PRO A 81 8.044 -13.395 -7.170 1.00 0.00 C ATOM 1292 C PRO A 81 7.454 -12.145 -7.852 1.00 0.00 C ATOM 1293 O PRO A 81 7.154 -12.161 -9.051 1.00 0.00 O ATOM 1294 CB PRO A 81 6.929 -14.284 -6.554 1.00 0.00 C ATOM 1295 CG PRO A 81 6.874 -13.870 -5.118 1.00 0.00 C ATOM 1296 CD PRO A 81 8.297 -13.533 -4.725 1.00 0.00 C ATOM 0 HA PRO A 81 8.604 -13.894 -7.961 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.972 -14.123 -7.051 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.165 -15.343 -6.653 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.218 -13.009 -4.985 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.477 -14.672 -4.496 1.00 0.00 H new ATOM 0 HD2 PRO A 81 8.330 -12.762 -3.955 1.00 0.00 H new ATOM 0 HD3 PRO A 81 8.821 -14.402 -4.328 1.00 0.00 H new ATOM 1304 N LEU A 82 7.286 -11.061 -7.066 1.00 0.00 N ATOM 1305 CA LEU A 82 6.635 -9.816 -7.516 1.00 0.00 C ATOM 1306 C LEU A 82 7.623 -8.640 -7.509 1.00 0.00 C ATOM 1307 O LEU A 82 7.221 -7.495 -7.286 1.00 0.00 O ATOM 1308 CB LEU A 82 5.412 -9.502 -6.606 1.00 0.00 C ATOM 1309 CG LEU A 82 4.349 -10.630 -6.449 1.00 0.00 C ATOM 1310 CD1 LEU A 82 3.168 -10.134 -5.592 1.00 0.00 C ATOM 1311 CD2 LEU A 82 3.879 -11.163 -7.824 1.00 0.00 C ATOM 0 H LEU A 82 7.600 -11.026 -6.096 1.00 0.00 H new ATOM 0 HA LEU A 82 6.293 -9.958 -8.541 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.783 -9.244 -5.614 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.913 -8.617 -7.000 1.00 0.00 H new ATOM 0 HG LEU A 82 4.813 -11.469 -5.931 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.432 -10.932 -5.490 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.530 -9.846 -4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.705 -9.273 -6.074 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.138 -11.948 -7.676 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.435 -10.349 -8.397 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.732 -11.567 -8.369 1.00 0.00 H new ATOM 1323 N ALA A 83 8.915 -8.933 -7.766 1.00 0.00 N ATOM 1324 CA ALA A 83 9.995 -7.915 -7.799 1.00 0.00 C ATOM 1325 C ALA A 83 9.738 -6.853 -8.891 1.00 0.00 C ATOM 1326 O ALA A 83 10.027 -7.076 -10.074 1.00 0.00 O ATOM 1327 CB ALA A 83 11.356 -8.597 -7.998 1.00 0.00 C ATOM 0 H ALA A 83 9.242 -9.880 -7.957 1.00 0.00 H new ATOM 0 HA ALA A 83 10.004 -7.395 -6.841 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.142 -7.842 -8.021 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.541 -9.288 -7.175 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.353 -9.146 -8.939 1.00 0.00 H new ATOM 1333 N GLY A 84 9.127 -5.723 -8.480 1.00 0.00 N ATOM 1334 CA GLY A 84 8.770 -4.622 -9.386 1.00 0.00 C ATOM 1335 C GLY A 84 7.327 -4.141 -9.207 1.00 0.00 C ATOM 1336 O GLY A 84 6.977 -3.029 -9.627 1.00 0.00 O ATOM 0 H GLY A 84 8.869 -5.552 -7.508 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.449 -3.786 -9.218 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.913 -4.946 -10.417 1.00 0.00 H new ATOM 1340 N ARG A 85 6.476 -4.980 -8.586 1.00 0.00 N ATOM 1341 CA ARG A 85 5.061 -4.648 -8.317 1.00 0.00 C ATOM 1342 C ARG A 85 4.912 -3.885 -6.987 1.00 0.00 C ATOM 1343 O ARG A 85 5.608 -4.191 -6.013 1.00 0.00 O ATOM 1344 CB ARG A 85 4.188 -5.929 -8.260 1.00 0.00 C ATOM 1345 CG ARG A 85 4.203 -6.767 -9.553 1.00 0.00 C ATOM 1346 CD ARG A 85 3.152 -7.895 -9.528 1.00 0.00 C ATOM 1347 NE ARG A 85 3.173 -8.703 -10.757 1.00 0.00 N ATOM 1348 CZ ARG A 85 2.484 -8.433 -11.875 1.00 0.00 C ATOM 1349 NH1 ARG A 85 1.709 -7.353 -11.958 1.00 0.00 N ATOM 1350 NH2 ARG A 85 2.575 -9.261 -12.907 1.00 0.00 N ATOM 0 H ARG A 85 6.748 -5.906 -8.257 1.00 0.00 H new ATOM 0 HA ARG A 85 4.721 -4.015 -9.136 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.531 -6.552 -7.434 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.160 -5.644 -8.038 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.015 -6.117 -10.408 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.194 -7.199 -9.693 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.334 -8.540 -8.668 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.160 -7.462 -9.397 1.00 0.00 H new ATOM 0 HE ARG A 85 3.760 -9.537 -10.759 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.633 -6.717 -11.164 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.191 -7.162 -12.816 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.164 -10.091 -12.844 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.056 -9.067 -13.764 1.00 0.00 H new ATOM 1364 N VAL A 86 3.984 -2.905 -6.959 1.00 0.00 N ATOM 1365 CA VAL A 86 3.597 -2.186 -5.730 1.00 0.00 C ATOM 1366 C VAL A 86 2.189 -2.652 -5.297 1.00 0.00 C ATOM 1367 O VAL A 86 1.163 -2.207 -5.819 1.00 0.00 O ATOM 1368 CB VAL A 86 3.687 -0.612 -5.887 1.00 0.00 C ATOM 1369 CG1 VAL A 86 2.889 -0.088 -7.109 1.00 0.00 C ATOM 1370 CG2 VAL A 86 3.273 0.099 -4.570 1.00 0.00 C ATOM 0 H VAL A 86 3.482 -2.591 -7.790 1.00 0.00 H new ATOM 0 HA VAL A 86 4.311 -2.433 -4.944 1.00 0.00 H new ATOM 0 HB VAL A 86 4.730 -0.366 -6.085 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.985 0.996 -7.169 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.282 -0.538 -8.021 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.838 -0.353 -6.998 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.343 1.179 -4.702 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.247 -0.170 -4.318 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.938 -0.212 -3.764 1.00 0.00 H new ATOM 1380 N LEU A 87 2.179 -3.627 -4.389 1.00 0.00 N ATOM 1381 CA LEU A 87 0.951 -4.198 -3.822 1.00 0.00 C ATOM 1382 C LEU A 87 0.380 -3.238 -2.770 1.00 0.00 C ATOM 1383 O LEU A 87 1.092 -2.790 -1.869 1.00 0.00 O ATOM 1384 CB LEU A 87 1.197 -5.611 -3.208 1.00 0.00 C ATOM 1385 CG LEU A 87 1.891 -6.681 -4.123 1.00 0.00 C ATOM 1386 CD1 LEU A 87 1.293 -6.716 -5.541 1.00 0.00 C ATOM 1387 CD2 LEU A 87 3.420 -6.519 -4.157 1.00 0.00 C ATOM 0 H LEU A 87 3.031 -4.050 -4.020 1.00 0.00 H new ATOM 0 HA LEU A 87 0.228 -4.325 -4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.805 -5.488 -2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.235 -6.013 -2.889 1.00 0.00 H new ATOM 0 HG LEU A 87 1.684 -7.649 -3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.807 -7.472 -6.134 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.232 -6.960 -5.483 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.415 -5.740 -6.012 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.853 -7.283 -4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.673 -5.531 -4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.820 -6.628 -3.149 1.00 0.00 H new ATOM 1399 N ASN A 88 -0.907 -2.915 -2.910 1.00 0.00 N ATOM 1400 CA ASN A 88 -1.601 -1.943 -2.048 1.00 0.00 C ATOM 1401 C ASN A 88 -2.401 -2.694 -0.990 1.00 0.00 C ATOM 1402 O ASN A 88 -3.024 -3.716 -1.300 1.00 0.00 O ATOM 1403 CB ASN A 88 -2.521 -1.048 -2.915 1.00 0.00 C ATOM 1404 CG ASN A 88 -1.734 -0.115 -3.831 1.00 0.00 C ATOM 1405 OD1 ASN A 88 -1.501 1.041 -3.505 1.00 0.00 O ATOM 1406 ND2 ASN A 88 -1.278 -0.632 -4.958 1.00 0.00 N ATOM 0 H ASN A 88 -1.506 -3.321 -3.629 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.878 -1.301 -1.545 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.173 -1.680 -3.518 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.164 -0.456 -2.264 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.712 -0.063 -5.588 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.492 -1.600 -5.198 1.00 0.00 H new ATOM 1413 N ILE A 89 -2.427 -2.159 0.249 1.00 0.00 N ATOM 1414 CA ILE A 89 -3.020 -2.862 1.405 1.00 0.00 C ATOM 1415 C ILE A 89 -4.548 -2.726 1.345 1.00 0.00 C ATOM 1416 O ILE A 89 -5.074 -1.608 1.309 1.00 0.00 O ATOM 1417 CB ILE A 89 -2.488 -2.312 2.784 1.00 0.00 C ATOM 1418 CG1 ILE A 89 -0.931 -2.433 2.849 1.00 0.00 C ATOM 1419 CG2 ILE A 89 -3.164 -3.023 4.003 1.00 0.00 C ATOM 1420 CD1 ILE A 89 -0.307 -1.953 4.154 1.00 0.00 C ATOM 0 H ILE A 89 -2.043 -1.241 0.474 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.726 -3.910 1.344 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.759 -1.258 2.848 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.655 -3.476 2.692 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.501 -1.862 2.026 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.766 -2.611 4.931 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.241 -2.861 3.967 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.956 -4.092 3.962 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.775 -2.075 4.107 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.547 -0.901 4.307 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.702 -2.539 4.984 1.00 0.00 H new ATOM 1432 N ILE A 90 -5.245 -3.867 1.325 1.00 0.00 N ATOM 1433 CA ILE A 90 -6.715 -3.913 1.219 1.00 0.00 C ATOM 1434 C ILE A 90 -7.337 -4.143 2.612 1.00 0.00 C ATOM 1435 O ILE A 90 -7.555 -5.278 3.043 1.00 0.00 O ATOM 1436 CB ILE A 90 -7.191 -4.999 0.167 1.00 0.00 C ATOM 1437 CG1 ILE A 90 -6.471 -6.368 0.396 1.00 0.00 C ATOM 1438 CG2 ILE A 90 -6.967 -4.488 -1.280 1.00 0.00 C ATOM 1439 CD1 ILE A 90 -6.989 -7.529 -0.422 1.00 0.00 C ATOM 0 H ILE A 90 -4.810 -4.788 1.382 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.067 -2.951 0.846 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.259 -5.163 0.312 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.410 -6.240 0.179 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.552 -6.627 1.452 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.299 -5.246 -1.989 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.537 -3.572 -1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.907 -4.286 -1.435 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.418 -8.426 -0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.041 -7.696 -0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.882 -7.303 -1.483 1.00 0.00 H new ATOM 1451 N GLY A 91 -7.558 -3.038 3.339 1.00 0.00 N ATOM 1452 CA GLY A 91 -8.203 -3.072 4.649 1.00 0.00 C ATOM 1453 C GLY A 91 -7.303 -2.491 5.722 1.00 0.00 C ATOM 1454 O GLY A 91 -7.253 -1.267 5.899 1.00 0.00 O ATOM 0 H GLY A 91 -7.294 -2.102 3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.137 -2.511 4.612 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.459 -4.100 4.904 1.00 0.00 H new ATOM 1458 N GLN A 92 -6.550 -3.374 6.400 1.00 0.00 N ATOM 1459 CA GLN A 92 -5.677 -3.014 7.531 1.00 0.00 C ATOM 1460 C GLN A 92 -4.599 -4.099 7.733 1.00 0.00 C ATOM 1461 O GLN A 92 -4.879 -5.273 7.492 1.00 0.00 O ATOM 1462 CB GLN A 92 -6.523 -2.825 8.832 1.00 0.00 C ATOM 1463 CG GLN A 92 -7.244 -4.092 9.343 1.00 0.00 C ATOM 1464 CD GLN A 92 -8.144 -3.820 10.550 1.00 0.00 C ATOM 1465 OE1 GLN A 92 -7.703 -3.884 11.696 1.00 0.00 O ATOM 1466 NE2 GLN A 92 -9.412 -3.523 10.304 1.00 0.00 N ATOM 0 H GLN A 92 -6.530 -4.369 6.176 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.180 -2.070 7.308 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.867 -2.457 9.621 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -7.269 -2.051 8.651 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -7.844 -4.512 8.536 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.501 -4.843 9.612 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -9.748 -3.478 9.342 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.052 -3.340 11.077 1.00 0.00 H new ATOM 1475 N PRO A 93 -3.346 -3.732 8.163 1.00 0.00 N ATOM 1476 CA PRO A 93 -2.288 -4.722 8.506 1.00 0.00 C ATOM 1477 C PRO A 93 -2.690 -5.563 9.746 1.00 0.00 C ATOM 1478 O PRO A 93 -2.839 -5.025 10.844 1.00 0.00 O ATOM 1479 CB PRO A 93 -1.043 -3.828 8.781 1.00 0.00 C ATOM 1480 CG PRO A 93 -1.615 -2.505 9.176 1.00 0.00 C ATOM 1481 CD PRO A 93 -2.850 -2.338 8.325 1.00 0.00 C ATOM 0 HA PRO A 93 -2.109 -5.456 7.721 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.422 -4.245 9.574 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.413 -3.740 7.896 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.862 -2.484 10.237 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.903 -1.699 8.999 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.590 -1.702 8.811 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.617 -1.880 7.364 1.00 0.00 H new ATOM 1489 N LEU A 94 -2.884 -6.874 9.541 1.00 0.00 N ATOM 1490 CA LEU A 94 -3.404 -7.806 10.575 1.00 0.00 C ATOM 1491 C LEU A 94 -2.209 -8.555 11.244 1.00 0.00 C ATOM 1492 O LEU A 94 -1.588 -9.390 10.604 1.00 0.00 O ATOM 1493 CB LEU A 94 -4.427 -8.810 9.901 1.00 0.00 C ATOM 1494 CG LEU A 94 -5.456 -9.580 10.817 1.00 0.00 C ATOM 1495 CD1 LEU A 94 -4.797 -10.674 11.683 1.00 0.00 C ATOM 1496 CD2 LEU A 94 -6.287 -8.596 11.672 1.00 0.00 C ATOM 0 H LEU A 94 -2.686 -7.329 8.650 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.933 -7.258 11.355 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.999 -8.250 9.161 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.847 -9.556 9.358 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.137 -10.103 10.145 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.558 -11.166 12.289 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.317 -11.409 11.037 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.050 -10.221 12.335 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.987 -9.155 12.293 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.620 -8.015 12.310 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.840 -7.923 11.017 1.00 0.00 H new ATOM 1508 N PRO A 95 -1.855 -8.253 12.541 1.00 0.00 N ATOM 1509 CA PRO A 95 -0.791 -8.995 13.292 1.00 0.00 C ATOM 1510 C PRO A 95 -1.212 -10.442 13.630 1.00 0.00 C ATOM 1511 O PRO A 95 -2.386 -10.681 13.931 1.00 0.00 O ATOM 1512 CB PRO A 95 -0.601 -8.140 14.584 1.00 0.00 C ATOM 1513 CG PRO A 95 -1.271 -6.828 14.287 1.00 0.00 C ATOM 1514 CD PRO A 95 -2.424 -7.165 13.374 1.00 0.00 C ATOM 0 HA PRO A 95 0.125 -9.108 12.712 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -1.053 -8.626 15.449 1.00 0.00 H new ATOM 0 HB3 PRO A 95 0.456 -8.000 14.813 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -1.621 -6.350 15.202 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.581 -6.134 13.808 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -3.301 -7.494 13.931 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -2.731 -6.309 12.772 1.00 0.00 H new ATOM 1522 N ASP A 96 -0.263 -11.409 13.598 1.00 0.00 N ATOM 1523 CA ASP A 96 -0.592 -12.834 13.871 1.00 0.00 C ATOM 1524 C ASP A 96 -0.786 -13.071 15.392 1.00 0.00 C ATOM 1525 O ASP A 96 -0.428 -12.220 16.220 1.00 0.00 O ATOM 1526 CB ASP A 96 0.491 -13.796 13.298 1.00 0.00 C ATOM 1527 CG ASP A 96 1.749 -13.895 14.175 1.00 0.00 C ATOM 1528 OD1 ASP A 96 2.379 -12.861 14.417 1.00 0.00 O ATOM 1529 OD2 ASP A 96 2.092 -14.996 14.645 1.00 0.00 O ATOM 0 H ASP A 96 0.720 -11.236 13.390 1.00 0.00 H new ATOM 0 HA ASP A 96 -1.530 -13.056 13.362 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.059 -14.790 13.183 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.777 -13.456 12.303 1.00 0.00 H new ATOM 1534 N ALA A 97 -1.311 -14.261 15.732 1.00 0.00 N ATOM 1535 CA ALA A 97 -1.678 -14.639 17.115 1.00 0.00 C ATOM 1536 C ALA A 97 -0.456 -14.817 18.030 1.00 0.00 C ATOM 1537 O ALA A 97 -0.562 -14.659 19.248 1.00 0.00 O ATOM 1538 CB ALA A 97 -2.512 -15.931 17.093 1.00 0.00 C ATOM 0 H ALA A 97 -1.496 -14.997 15.050 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.264 -13.819 17.529 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.781 -16.208 18.112 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.418 -15.769 16.510 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.928 -16.733 16.641 1.00 0.00 H new ATOM 1544 N ALA A 98 0.694 -15.179 17.442 1.00 0.00 N ATOM 1545 CA ALA A 98 1.933 -15.453 18.206 1.00 0.00 C ATOM 1546 C ALA A 98 2.844 -14.216 18.299 1.00 0.00 C ATOM 1547 O ALA A 98 3.855 -14.250 19.019 1.00 0.00 O ATOM 1548 CB ALA A 98 2.681 -16.633 17.572 1.00 0.00 C ATOM 0 H ALA A 98 0.798 -15.291 16.433 1.00 0.00 H new ATOM 0 HA ALA A 98 1.648 -15.711 19.226 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.592 -16.832 18.136 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.044 -17.518 17.587 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.939 -16.389 16.541 1.00 0.00 H new ATOM 1554 N ARG A 99 2.477 -13.136 17.566 1.00 0.00 N ATOM 1555 CA ARG A 99 3.236 -11.861 17.511 1.00 0.00 C ATOM 1556 C ARG A 99 4.661 -12.071 16.924 1.00 0.00 C ATOM 1557 O ARG A 99 5.601 -11.324 17.232 1.00 0.00 O ATOM 1558 CB ARG A 99 3.280 -11.119 18.898 1.00 0.00 C ATOM 1559 CG ARG A 99 1.935 -10.509 19.401 1.00 0.00 C ATOM 1560 CD ARG A 99 0.892 -11.559 19.822 1.00 0.00 C ATOM 1561 NE ARG A 99 -0.321 -10.952 20.392 1.00 0.00 N ATOM 1562 CZ ARG A 99 -1.269 -11.606 21.082 1.00 0.00 C ATOM 1563 NH1 ARG A 99 -1.204 -12.916 21.289 1.00 0.00 N ATOM 1564 NH2 ARG A 99 -2.291 -10.927 21.562 1.00 0.00 N ATOM 0 H ARG A 99 1.636 -13.125 16.989 1.00 0.00 H new ATOM 0 HA ARG A 99 2.692 -11.205 16.831 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.639 -11.822 19.650 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.016 -10.317 18.834 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.139 -9.854 20.248 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.512 -9.887 18.612 1.00 0.00 H new ATOM 0 HD2 ARG A 99 0.620 -12.163 18.957 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.335 -12.233 20.555 1.00 0.00 H new ATOM 0 HE ARG A 99 -0.453 -9.950 20.251 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.419 -13.452 20.920 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -1.939 -13.386 21.817 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.353 -9.921 21.407 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -3.020 -11.408 22.089 1.00 0.00 H new ATOM 1578 N THR A 100 4.785 -13.073 16.036 1.00 0.00 N ATOM 1579 CA THR A 100 6.050 -13.415 15.350 1.00 0.00 C ATOM 1580 C THR A 100 6.192 -12.653 14.017 1.00 0.00 C ATOM 1581 O THR A 100 7.302 -12.507 13.484 1.00 0.00 O ATOM 1582 CB THR A 100 6.123 -14.959 15.078 1.00 0.00 C ATOM 1583 OG1 THR A 100 4.990 -15.380 14.286 1.00 0.00 O ATOM 1584 CG2 THR A 100 6.161 -15.769 16.389 1.00 0.00 C ATOM 0 H THR A 100 4.006 -13.675 15.770 1.00 0.00 H new ATOM 0 HA THR A 100 6.869 -13.120 16.006 1.00 0.00 H new ATOM 0 HB THR A 100 7.047 -15.150 14.533 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.046 -16.344 14.121 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.211 -16.833 16.158 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.038 -15.482 16.969 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.260 -15.566 16.968 1.00 0.00 H new ATOM 1592 N ARG A 101 5.059 -12.131 13.510 1.00 0.00 N ATOM 1593 CA ARG A 101 4.968 -11.592 12.148 1.00 0.00 C ATOM 1594 C ARG A 101 3.778 -10.619 12.023 1.00 0.00 C ATOM 1595 O ARG A 101 2.914 -10.531 12.909 1.00 0.00 O ATOM 1596 CB ARG A 101 4.804 -12.753 11.117 1.00 0.00 C ATOM 1597 CG ARG A 101 3.358 -13.280 11.006 1.00 0.00 C ATOM 1598 CD ARG A 101 3.225 -14.567 10.218 1.00 0.00 C ATOM 1599 NE ARG A 101 3.823 -15.711 10.933 1.00 0.00 N ATOM 1600 CZ ARG A 101 3.187 -16.856 11.232 1.00 0.00 C ATOM 1601 NH1 ARG A 101 1.908 -17.033 10.904 1.00 0.00 N ATOM 1602 NH2 ARG A 101 3.827 -17.810 11.879 1.00 0.00 N ATOM 0 H ARG A 101 4.186 -12.073 14.034 1.00 0.00 H new ATOM 0 HA ARG A 101 5.889 -11.049 11.937 1.00 0.00 H new ATOM 0 HB2 ARG A 101 5.132 -12.407 10.137 1.00 0.00 H new ATOM 0 HB3 ARG A 101 5.461 -13.575 11.401 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.963 -13.439 12.009 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.739 -12.515 10.538 1.00 0.00 H new ATOM 0 HD2 ARG A 101 2.171 -14.769 10.026 1.00 0.00 H new ATOM 0 HD3 ARG A 101 3.709 -14.451 9.248 1.00 0.00 H new ATOM 0 HE ARG A 101 4.797 -15.626 11.223 1.00 0.00 H new ATOM 0 HH11 ARG A 101 1.399 -16.294 10.419 1.00 0.00 H new ATOM 0 HH12 ARG A 101 1.438 -17.908 11.137 1.00 0.00 H new ATOM 0 HH21 ARG A 101 4.801 -17.677 12.151 1.00 0.00 H new ATOM 0 HH22 ARG A 101 3.348 -18.681 12.108 1.00 0.00 H new ATOM 1616 N LEU A 102 3.724 -9.939 10.878 1.00 0.00 N ATOM 1617 CA LEU A 102 2.627 -9.054 10.511 1.00 0.00 C ATOM 1618 C LEU A 102 2.089 -9.527 9.155 1.00 0.00 C ATOM 1619 O LEU A 102 2.806 -9.482 8.146 1.00 0.00 O ATOM 1620 CB LEU A 102 3.106 -7.554 10.473 1.00 0.00 C ATOM 1621 CG LEU A 102 2.255 -6.526 11.277 1.00 0.00 C ATOM 1622 CD1 LEU A 102 0.793 -6.485 10.799 1.00 0.00 C ATOM 1623 CD2 LEU A 102 2.355 -6.796 12.793 1.00 0.00 C ATOM 0 H LEU A 102 4.456 -9.991 10.169 1.00 0.00 H new ATOM 0 HA LEU A 102 1.829 -9.095 11.252 1.00 0.00 H new ATOM 0 HB2 LEU A 102 4.129 -7.514 10.846 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.134 -7.232 9.432 1.00 0.00 H new ATOM 0 HG LEU A 102 2.670 -5.536 11.086 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.238 -5.755 11.388 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.762 -6.202 9.747 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.342 -7.469 10.923 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.753 -6.066 13.333 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.988 -7.800 13.009 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.395 -6.714 13.109 1.00 0.00 H new ATOM 1635 N GLU A 103 0.846 -10.032 9.168 1.00 0.00 N ATOM 1636 CA GLU A 103 0.134 -10.457 7.959 1.00 0.00 C ATOM 1637 C GLU A 103 -0.417 -9.213 7.249 1.00 0.00 C ATOM 1638 O GLU A 103 -1.465 -8.660 7.625 1.00 0.00 O ATOM 1639 CB GLU A 103 -1.020 -11.445 8.311 1.00 0.00 C ATOM 1640 CG GLU A 103 -1.892 -11.878 7.114 1.00 0.00 C ATOM 1641 CD GLU A 103 -1.122 -12.687 6.059 1.00 0.00 C ATOM 1642 OE1 GLU A 103 -0.929 -13.905 6.279 1.00 0.00 O ATOM 1643 OE2 GLU A 103 -0.711 -12.119 5.024 1.00 0.00 O ATOM 0 H GLU A 103 0.306 -10.157 10.024 1.00 0.00 H new ATOM 0 HA GLU A 103 0.824 -10.982 7.298 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.589 -12.335 8.769 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -1.661 -10.980 9.060 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -2.728 -12.475 7.480 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.316 -10.991 6.643 1.00 0.00 H new ATOM 1650 N ILE A 104 0.342 -8.740 6.265 1.00 0.00 N ATOM 1651 CA ILE A 104 -0.036 -7.596 5.445 1.00 0.00 C ATOM 1652 C ILE A 104 -0.854 -8.104 4.246 1.00 0.00 C ATOM 1653 O ILE A 104 -0.288 -8.590 3.254 1.00 0.00 O ATOM 1654 CB ILE A 104 1.232 -6.798 4.943 1.00 0.00 C ATOM 1655 CG1 ILE A 104 2.247 -6.544 6.104 1.00 0.00 C ATOM 1656 CG2 ILE A 104 0.819 -5.473 4.271 1.00 0.00 C ATOM 1657 CD1 ILE A 104 1.699 -5.740 7.265 1.00 0.00 C ATOM 0 H ILE A 104 1.244 -9.144 6.013 1.00 0.00 H new ATOM 0 HA ILE A 104 -0.632 -6.910 6.046 1.00 0.00 H new ATOM 0 HB ILE A 104 1.734 -7.415 4.198 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.596 -7.506 6.480 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.117 -6.026 5.700 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.710 -4.943 3.934 1.00 0.00 H new ATOM 0 HG22 ILE A 104 0.177 -5.683 3.416 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.278 -4.855 4.987 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.475 -5.616 8.020 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.378 -4.761 6.910 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.849 -6.264 7.702 1.00 0.00 H new ATOM 1669 N LEU A 105 -2.191 -8.037 4.367 1.00 0.00 N ATOM 1670 CA LEU A 105 -3.101 -8.426 3.282 1.00 0.00 C ATOM 1671 C LEU A 105 -3.158 -7.276 2.269 1.00 0.00 C ATOM 1672 O LEU A 105 -3.376 -6.114 2.627 1.00 0.00 O ATOM 1673 CB LEU A 105 -4.532 -8.845 3.771 1.00 0.00 C ATOM 1674 CG LEU A 105 -5.283 -7.889 4.768 1.00 0.00 C ATOM 1675 CD1 LEU A 105 -6.810 -8.123 4.732 1.00 0.00 C ATOM 1676 CD2 LEU A 105 -4.755 -8.058 6.211 1.00 0.00 C ATOM 0 H LEU A 105 -2.665 -7.715 5.211 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.704 -9.326 2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.162 -8.970 2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.449 -9.823 4.245 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.084 -6.868 4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.298 -7.446 5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.183 -7.935 3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.027 -9.154 5.012 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.294 -7.384 6.877 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.907 -9.087 6.536 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.691 -7.822 6.239 1.00 0.00 H new ATOM 1688 N CYS A 106 -2.977 -7.636 1.005 1.00 0.00 N ATOM 1689 CA CYS A 106 -2.783 -6.697 -0.103 1.00 0.00 C ATOM 1690 C CYS A 106 -3.388 -7.297 -1.371 1.00 0.00 C ATOM 1691 O CYS A 106 -3.874 -8.428 -1.365 1.00 0.00 O ATOM 1692 CB CYS A 106 -1.280 -6.361 -0.307 1.00 0.00 C ATOM 1693 SG CYS A 106 -0.497 -5.611 1.134 1.00 0.00 S ATOM 0 H CYS A 106 -2.960 -8.612 0.710 1.00 0.00 H new ATOM 0 HA CYS A 106 -3.287 -5.759 0.132 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -0.745 -7.275 -0.564 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -1.181 -5.684 -1.156 1.00 0.00 H new ATOM 0 HG CYS A 106 0.459 -4.820 0.746 1.00 0.00 H new ATOM 1699 N ARG A 107 -3.417 -6.505 -2.431 1.00 0.00 N ATOM 1700 CA ARG A 107 -3.825 -6.953 -3.773 1.00 0.00 C ATOM 1701 C ARG A 107 -2.872 -6.332 -4.800 1.00 0.00 C ATOM 1702 O ARG A 107 -2.256 -5.294 -4.505 1.00 0.00 O ATOM 1703 CB ARG A 107 -5.293 -6.520 -4.031 1.00 0.00 C ATOM 1704 CG ARG A 107 -5.964 -7.147 -5.273 1.00 0.00 C ATOM 1705 CD ARG A 107 -7.392 -6.612 -5.474 1.00 0.00 C ATOM 1706 NE ARG A 107 -8.158 -7.379 -6.470 1.00 0.00 N ATOM 1707 CZ ARG A 107 -9.401 -7.082 -6.888 1.00 0.00 C ATOM 1708 NH1 ARG A 107 -10.017 -5.990 -6.462 1.00 0.00 N ATOM 1709 NH2 ARG A 107 -10.032 -7.896 -7.720 1.00 0.00 N ATOM 0 H ARG A 107 -3.157 -5.519 -2.394 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.774 -8.039 -3.855 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.887 -6.772 -3.153 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.321 -5.435 -4.134 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.366 -6.932 -6.158 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -5.993 -8.231 -5.164 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.920 -6.635 -4.521 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.343 -5.569 -5.786 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.710 -8.201 -6.875 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.549 -5.362 -5.809 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.960 -5.777 -6.787 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -9.575 -8.749 -8.044 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -10.975 -7.671 -8.037 1.00 0.00 H new ATOM 1723 N GLU A 108 -2.704 -6.999 -5.971 1.00 0.00 N ATOM 1724 CA GLU A 108 -1.938 -6.467 -7.114 1.00 0.00 C ATOM 1725 C GLU A 108 -2.252 -4.984 -7.408 1.00 0.00 C ATOM 1726 O GLU A 108 -3.415 -4.608 -7.591 1.00 0.00 O ATOM 1727 CB GLU A 108 -2.192 -7.332 -8.377 1.00 0.00 C ATOM 1728 CG GLU A 108 -1.361 -6.902 -9.599 1.00 0.00 C ATOM 1729 CD GLU A 108 -1.583 -7.781 -10.836 1.00 0.00 C ATOM 1730 OE1 GLU A 108 -0.910 -8.824 -10.960 1.00 0.00 O ATOM 1731 OE2 GLU A 108 -2.430 -7.434 -11.692 1.00 0.00 O ATOM 0 H GLU A 108 -3.100 -7.923 -6.143 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.884 -6.517 -6.841 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.968 -8.373 -8.145 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.250 -7.283 -8.633 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -1.606 -5.870 -9.849 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.304 -6.923 -9.334 1.00 0.00 H new ATOM 1738 N GLY A 109 -1.189 -4.157 -7.447 1.00 0.00 N ATOM 1739 CA GLY A 109 -1.312 -2.715 -7.662 1.00 0.00 C ATOM 1740 C GLY A 109 -1.261 -2.342 -9.129 1.00 0.00 C ATOM 1741 O GLY A 109 -0.464 -1.494 -9.545 1.00 0.00 O ATOM 0 H GLY A 109 -0.227 -4.475 -7.330 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -2.252 -2.366 -7.234 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -0.510 -2.202 -7.132 1.00 0.00 H new