USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 620 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 59 ASN : amide:sc= 0.405 K(o=-1,f=-13!) USER MOD Set 1.2: A 62 ASN : amide:sc= -1.41 K(o=-1,f=-5!) USER MOD Set 2.1: A 47 SER OG : rot 102:sc= 0.15 USER MOD Set 2.2: A 49 HIS : no HE2:sc= -1.25 K(o=-1.1,f=-0.58) USER MOD Set 3.1: A 16 SER OG : rot 180:sc= -0.59 USER MOD Set 3.2: A 56 GLN : amide:sc= 1 X(o=0.41,f=0.35) USER MOD Single : A 7 ASN : amide:sc= -0.322 K(o=-0.32,f=-1.3) USER MOD Single : A 8 LYS NZ :NH3+ -157:sc= -0.0478 (180deg=-0.388) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc=-0.00652 USER MOD Single : A 14 MET CE :methyl 174:sc= -1.76 (180deg=-1.84) USER MOD Single : A 15 ASN : amide:sc= 0.875 K(o=0.87,f=-3.5!) USER MOD Single : A 22 ASN : amide:sc= 0.841 K(o=0.84,f=-0.09) USER MOD Single : A 24 ASN : amide:sc= -1.96 K(o=-2,f=-6.4!) USER MOD Single : A 25 THR OG1 : rot -12:sc= 1.17 USER MOD Single : A 29 LYS NZ :NH3+ -166:sc= 0.987 (180deg=0.826) USER MOD Single : A 30 LYS NZ :NH3+ -165:sc= 1.2 (180deg=1.03) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -33:sc= 0.227 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot -144:sc= 0.229 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 23:sc= -0.151 USER MOD Single : A 50 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000107) USER MOD Single : A 57 TYR OH : rot -5:sc= 0.687 USER MOD Single : A 74 MET CE :methyl -138:sc= -0.0778 (180deg=-0.824) USER MOD Single : A 78 GLN : amide:sc= -1.32 K(o=-1.3,f=0) USER MOD Single : A 83 ASN : amide:sc= 0.503 K(o=0.5,f=-0.099) USER MOD ----------------------------------------------------------------- ATOM 67 N ASN A 7 -3.886 11.713 6.420 1.00 0.00 N ATOM 68 CA ASN A 7 -4.412 11.784 7.780 1.00 0.00 C ATOM 69 C ASN A 7 -5.148 13.095 8.050 1.00 0.00 C ATOM 70 O ASN A 7 -5.127 13.608 9.169 1.00 0.00 O ATOM 71 CB ASN A 7 -3.284 11.510 8.776 1.00 0.00 C ATOM 72 CG ASN A 7 -3.773 11.272 10.194 1.00 0.00 C ATOM 73 OD1 ASN A 7 -4.952 11.019 10.436 1.00 0.00 O ATOM 74 ND2 ASN A 7 -2.853 11.356 11.148 1.00 0.00 N ATOM 0 HA ASN A 7 -5.168 11.010 7.907 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -2.720 10.639 8.443 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -2.595 12.355 8.775 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.114 11.208 12.123 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.885 11.568 10.906 1.00 0.00 H new ATOM 81 N LYS A 8 -5.803 13.643 7.025 1.00 0.00 N ATOM 82 CA LYS A 8 -6.588 14.861 7.171 1.00 0.00 C ATOM 83 C LYS A 8 -7.944 14.505 7.778 1.00 0.00 C ATOM 84 O LYS A 8 -8.460 13.410 7.561 1.00 0.00 O ATOM 85 CB LYS A 8 -6.731 15.562 5.819 1.00 0.00 C ATOM 86 CG LYS A 8 -5.502 16.398 5.423 1.00 0.00 C ATOM 87 CD LYS A 8 -4.170 15.632 5.446 1.00 0.00 C ATOM 88 CE LYS A 8 -3.502 15.649 6.826 1.00 0.00 C ATOM 89 NZ LYS A 8 -3.072 17.010 7.202 1.00 0.00 N ATOM 0 H LYS A 8 -5.802 13.257 6.081 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.084 15.558 7.840 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.913 14.813 5.049 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.607 16.210 5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.659 16.797 4.421 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.427 17.251 6.098 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.344 14.599 5.144 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.492 16.069 4.713 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.198 15.267 7.573 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.640 14.982 6.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.311 16.951 7.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.723 17.509 6.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.878 17.530 7.604 1.00 0.00 H new ATOM 103 N THR A 9 -8.515 15.439 8.540 1.00 0.00 N ATOM 104 CA THR A 9 -9.730 15.200 9.310 1.00 0.00 C ATOM 105 C THR A 9 -10.770 16.298 9.102 1.00 0.00 C ATOM 106 O THR A 9 -11.688 16.442 9.909 1.00 0.00 O ATOM 107 CB THR A 9 -9.395 15.037 10.796 1.00 0.00 C ATOM 108 OG1 THR A 9 -8.712 16.180 11.266 1.00 0.00 O ATOM 109 CG2 THR A 9 -8.517 13.811 11.027 1.00 0.00 C ATOM 0 H THR A 9 -8.144 16.384 8.639 1.00 0.00 H new ATOM 0 HA THR A 9 -10.172 14.273 8.945 1.00 0.00 H new ATOM 0 HB THR A 9 -10.333 14.912 11.338 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.503 16.068 12.217 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.294 13.718 12.090 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.042 12.918 10.687 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.587 13.919 10.469 1.00 0.00 H new ATOM 117 N ASP A 10 -10.637 17.077 8.027 1.00 0.00 N ATOM 118 CA ASP A 10 -11.578 18.141 7.717 1.00 0.00 C ATOM 119 C ASP A 10 -12.956 17.565 7.387 1.00 0.00 C ATOM 120 O ASP A 10 -13.069 16.395 7.013 1.00 0.00 O ATOM 121 CB ASP A 10 -11.037 18.974 6.557 1.00 0.00 C ATOM 122 CG ASP A 10 -9.719 19.649 6.929 1.00 0.00 C ATOM 123 OD1 ASP A 10 -9.779 20.782 7.459 1.00 0.00 O ATOM 124 OD2 ASP A 10 -8.661 19.027 6.675 1.00 0.00 O ATOM 0 H ASP A 10 -9.876 16.985 7.354 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.693 18.785 8.589 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.889 18.336 5.686 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.770 19.731 6.277 1.00 0.00 H new ATOM 129 N PRO A 11 -14.013 18.378 7.517 1.00 0.00 N ATOM 130 CA PRO A 11 -15.395 17.944 7.372 1.00 0.00 C ATOM 131 C PRO A 11 -15.725 17.405 5.981 1.00 0.00 C ATOM 132 O PRO A 11 -16.789 16.818 5.789 1.00 0.00 O ATOM 133 CB PRO A 11 -16.238 19.183 7.689 1.00 0.00 C ATOM 134 CG PRO A 11 -15.307 20.088 8.490 1.00 0.00 C ATOM 135 CD PRO A 11 -13.948 19.783 7.872 1.00 0.00 C ATOM 0 HA PRO A 11 -15.598 17.108 8.041 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -16.580 19.673 6.778 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -17.127 18.921 8.263 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.574 21.140 8.387 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.331 19.856 9.555 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.763 20.405 6.996 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.140 19.976 8.577 1.00 0.00 H new ATOM 143 N ARG A 12 -14.827 17.592 5.006 1.00 0.00 N ATOM 144 CA ARG A 12 -15.008 17.076 3.653 1.00 0.00 C ATOM 145 C ARG A 12 -13.859 16.154 3.254 1.00 0.00 C ATOM 146 O ARG A 12 -13.917 15.523 2.200 1.00 0.00 O ATOM 147 CB ARG A 12 -15.217 18.240 2.675 1.00 0.00 C ATOM 148 CG ARG A 12 -13.997 19.159 2.535 1.00 0.00 C ATOM 149 CD ARG A 12 -12.949 18.597 1.571 1.00 0.00 C ATOM 150 NE ARG A 12 -11.848 19.548 1.374 1.00 0.00 N ATOM 151 CZ ARG A 12 -10.937 19.456 0.402 1.00 0.00 C ATOM 152 NH1 ARG A 12 -10.978 18.463 -0.479 1.00 0.00 N ATOM 153 NH2 ARG A 12 -9.973 20.365 0.305 1.00 0.00 N ATOM 0 H ARG A 12 -13.956 18.106 5.138 1.00 0.00 H new ATOM 0 HA ARG A 12 -15.906 16.460 3.619 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.471 17.837 1.695 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -16.070 18.832 3.007 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -14.322 20.138 2.183 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.543 19.307 3.515 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.557 17.658 1.962 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.416 18.373 0.612 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.774 20.331 2.023 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.712 17.758 -0.419 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.275 18.406 -1.216 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.928 21.134 0.973 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.278 20.294 -0.438 1.00 0.00 H new ATOM 167 N SER A 13 -12.822 16.076 4.093 1.00 0.00 N ATOM 168 CA SER A 13 -11.688 15.190 3.872 1.00 0.00 C ATOM 169 C SER A 13 -11.900 13.867 4.598 1.00 0.00 C ATOM 170 O SER A 13 -11.277 12.865 4.259 1.00 0.00 O ATOM 171 CB SER A 13 -10.394 15.864 4.323 1.00 0.00 C ATOM 172 OG SER A 13 -10.212 17.059 3.595 1.00 0.00 O ATOM 0 H SER A 13 -12.750 16.630 4.946 1.00 0.00 H new ATOM 0 HA SER A 13 -11.606 14.980 2.806 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.435 16.078 5.391 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.548 15.196 4.164 1.00 0.00 H new ATOM 0 HG SER A 13 -9.383 17.495 3.884 1.00 0.00 H new ATOM 178 N MET A 14 -12.780 13.859 5.604 1.00 0.00 N ATOM 179 CA MET A 14 -13.151 12.648 6.324 1.00 0.00 C ATOM 180 C MET A 14 -14.018 11.742 5.450 1.00 0.00 C ATOM 181 O MET A 14 -14.243 10.582 5.791 1.00 0.00 O ATOM 182 CB MET A 14 -13.905 13.046 7.595 1.00 0.00 C ATOM 183 CG MET A 14 -12.928 13.483 8.683 1.00 0.00 C ATOM 184 SD MET A 14 -12.526 12.201 9.907 1.00 0.00 S ATOM 185 CE MET A 14 -11.983 10.841 8.840 1.00 0.00 C ATOM 0 H MET A 14 -13.254 14.698 5.939 1.00 0.00 H new ATOM 0 HA MET A 14 -12.252 12.091 6.587 1.00 0.00 H new ATOM 0 HB2 MET A 14 -14.599 13.857 7.374 1.00 0.00 H new ATOM 0 HB3 MET A 14 -14.501 12.205 7.950 1.00 0.00 H new ATOM 0 HG2 MET A 14 -12.004 13.816 8.210 1.00 0.00 H new ATOM 0 HG3 MET A 14 -13.347 14.344 9.204 1.00 0.00 H new ATOM 0 HE1 MET A 14 -11.605 10.025 9.455 1.00 0.00 H new ATOM 0 HE2 MET A 14 -12.825 10.487 8.245 1.00 0.00 H new ATOM 0 HE3 MET A 14 -11.192 11.192 8.177 1.00 0.00 H new ATOM 195 N ASN A 15 -14.508 12.269 4.325 1.00 0.00 N ATOM 196 CA ASN A 15 -15.382 11.536 3.424 1.00 0.00 C ATOM 197 C ASN A 15 -14.858 11.542 1.986 1.00 0.00 C ATOM 198 O ASN A 15 -15.505 10.980 1.107 1.00 0.00 O ATOM 199 CB ASN A 15 -16.810 12.080 3.552 1.00 0.00 C ATOM 200 CG ASN A 15 -16.852 13.594 3.681 1.00 0.00 C ATOM 201 OD1 ASN A 15 -16.892 14.316 2.691 1.00 0.00 O ATOM 202 ND2 ASN A 15 -16.840 14.081 4.921 1.00 0.00 N ATOM 0 H ASN A 15 -14.305 13.220 4.018 1.00 0.00 H new ATOM 0 HA ASN A 15 -15.397 10.485 3.712 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -17.389 11.778 2.679 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -17.288 11.632 4.423 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -16.865 15.089 5.073 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.806 13.446 5.718 1.00 0.00 H new ATOM 209 N SER A 16 -13.701 12.167 1.741 1.00 0.00 N ATOM 210 CA SER A 16 -13.040 12.128 0.441 1.00 0.00 C ATOM 211 C SER A 16 -11.872 11.144 0.467 1.00 0.00 C ATOM 212 O SER A 16 -11.096 11.060 -0.486 1.00 0.00 O ATOM 213 CB SER A 16 -12.589 13.528 0.033 1.00 0.00 C ATOM 214 OG SER A 16 -11.519 13.936 0.850 1.00 0.00 O ATOM 0 H SER A 16 -13.200 12.713 2.442 1.00 0.00 H new ATOM 0 HA SER A 16 -13.750 11.778 -0.308 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.283 13.532 -1.013 1.00 0.00 H new ATOM 0 HB3 SER A 16 -13.418 14.229 0.125 1.00 0.00 H new ATOM 0 HG SER A 16 -11.230 14.834 0.586 1.00 0.00 H new ATOM 220 N ARG A 17 -11.746 10.395 1.563 1.00 0.00 N ATOM 221 CA ARG A 17 -10.697 9.402 1.754 1.00 0.00 C ATOM 222 C ARG A 17 -11.250 7.991 1.585 1.00 0.00 C ATOM 223 O ARG A 17 -12.463 7.790 1.555 1.00 0.00 O ATOM 224 CB ARG A 17 -10.108 9.568 3.148 1.00 0.00 C ATOM 225 CG ARG A 17 -9.150 10.759 3.209 1.00 0.00 C ATOM 226 CD ARG A 17 -8.730 10.984 4.658 1.00 0.00 C ATOM 227 NE ARG A 17 -8.390 9.707 5.295 1.00 0.00 N ATOM 228 CZ ARG A 17 -8.563 9.439 6.587 1.00 0.00 C ATOM 229 NH1 ARG A 17 -8.901 10.396 7.447 1.00 0.00 N ATOM 230 NH2 ARG A 17 -8.395 8.197 7.025 1.00 0.00 N ATOM 0 H ARG A 17 -12.384 10.466 2.356 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.921 9.552 1.003 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.912 9.708 3.870 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.579 8.658 3.432 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.274 10.570 2.588 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.634 11.652 2.814 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.873 11.656 4.695 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.538 11.468 5.207 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.994 8.974 4.707 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.032 11.353 7.119 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.030 10.173 8.434 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.135 7.457 6.373 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.526 7.983 8.014 1.00 0.00 H new ATOM 244 N VAL A 18 -10.340 7.023 1.478 1.00 0.00 N ATOM 245 CA VAL A 18 -10.684 5.615 1.350 1.00 0.00 C ATOM 246 C VAL A 18 -9.858 4.799 2.335 1.00 0.00 C ATOM 247 O VAL A 18 -8.634 4.913 2.358 1.00 0.00 O ATOM 248 CB VAL A 18 -10.401 5.137 -0.079 1.00 0.00 C ATOM 249 CG1 VAL A 18 -10.895 3.707 -0.258 1.00 0.00 C ATOM 250 CG2 VAL A 18 -11.077 6.027 -1.119 1.00 0.00 C ATOM 0 H VAL A 18 -9.336 7.200 1.478 1.00 0.00 H new ATOM 0 HA VAL A 18 -11.744 5.483 1.567 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.323 5.187 -0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.690 3.376 -1.276 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.381 3.054 0.447 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.968 3.667 -0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.852 5.654 -2.118 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.156 6.015 -0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.707 7.047 -1.020 1.00 0.00 H new ATOM 260 N PHE A 19 -10.531 3.976 3.141 1.00 0.00 N ATOM 261 CA PHE A 19 -9.881 3.023 4.025 1.00 0.00 C ATOM 262 C PHE A 19 -9.825 1.689 3.287 1.00 0.00 C ATOM 263 O PHE A 19 -10.831 1.260 2.726 1.00 0.00 O ATOM 264 CB PHE A 19 -10.670 2.929 5.333 1.00 0.00 C ATOM 265 CG PHE A 19 -10.191 1.846 6.280 1.00 0.00 C ATOM 266 CD1 PHE A 19 -8.824 1.691 6.558 1.00 0.00 C ATOM 267 CD2 PHE A 19 -11.123 0.992 6.885 1.00 0.00 C ATOM 268 CE1 PHE A 19 -8.394 0.685 7.433 1.00 0.00 C ATOM 269 CE2 PHE A 19 -10.694 -0.014 7.760 1.00 0.00 C ATOM 270 CZ PHE A 19 -9.327 -0.170 8.035 1.00 0.00 C ATOM 0 H PHE A 19 -11.549 3.956 3.195 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.868 3.329 4.285 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.617 3.890 5.844 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.719 2.750 5.098 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.102 2.349 6.096 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.176 1.110 6.676 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.341 0.568 7.644 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.416 -0.670 8.223 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.995 -0.946 8.708 1.00 0.00 H new ATOM 280 N ILE A 20 -8.661 1.034 3.283 1.00 0.00 N ATOM 281 CA ILE A 20 -8.466 -0.216 2.558 1.00 0.00 C ATOM 282 C ILE A 20 -7.898 -1.246 3.523 1.00 0.00 C ATOM 283 O ILE A 20 -6.682 -1.368 3.660 1.00 0.00 O ATOM 284 CB ILE A 20 -7.522 0.013 1.369 1.00 0.00 C ATOM 285 CG1 ILE A 20 -8.055 1.133 0.463 1.00 0.00 C ATOM 286 CG2 ILE A 20 -7.368 -1.285 0.571 1.00 0.00 C ATOM 287 CD1 ILE A 20 -6.999 1.567 -0.557 1.00 0.00 C ATOM 0 H ILE A 20 -7.832 1.357 3.782 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.414 -0.581 2.162 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.547 0.316 1.750 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.949 0.789 -0.058 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.350 1.988 1.072 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.697 -1.117 -0.271 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.954 -2.061 1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.343 -1.602 0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.404 2.361 -1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.116 1.933 -0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.724 0.716 -1.180 1.00 0.00 H new ATOM 299 N GLY A 21 -8.782 -1.982 4.195 1.00 0.00 N ATOM 300 CA GLY A 21 -8.394 -2.960 5.200 1.00 0.00 C ATOM 301 C GLY A 21 -8.213 -4.359 4.625 1.00 0.00 C ATOM 302 O GLY A 21 -8.538 -4.617 3.466 1.00 0.00 O ATOM 0 H GLY A 21 -9.790 -1.914 4.054 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.463 -2.642 5.669 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.152 -2.989 5.983 1.00 0.00 H new ATOM 306 N ASN A 22 -7.689 -5.266 5.454 1.00 0.00 N ATOM 307 CA ASN A 22 -7.459 -6.670 5.130 1.00 0.00 C ATOM 308 C ASN A 22 -6.572 -6.850 3.891 1.00 0.00 C ATOM 309 O ASN A 22 -6.558 -7.919 3.284 1.00 0.00 O ATOM 310 CB ASN A 22 -8.803 -7.402 5.036 1.00 0.00 C ATOM 311 CG ASN A 22 -8.652 -8.909 5.192 1.00 0.00 C ATOM 312 OD1 ASN A 22 -8.549 -9.407 6.310 1.00 0.00 O ATOM 313 ND2 ASN A 22 -8.638 -9.649 4.090 1.00 0.00 N ATOM 0 H ASN A 22 -7.404 -5.030 6.404 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.889 -7.129 5.938 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.475 -7.025 5.807 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.267 -7.183 4.074 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.540 -10.662 4.157 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.726 -9.205 3.176 1.00 0.00 H new ATOM 320 N LEU A 23 -5.828 -5.807 3.507 1.00 0.00 N ATOM 321 CA LEU A 23 -4.966 -5.844 2.335 1.00 0.00 C ATOM 322 C LEU A 23 -3.763 -6.752 2.601 1.00 0.00 C ATOM 323 O LEU A 23 -3.350 -6.909 3.750 1.00 0.00 O ATOM 324 CB LEU A 23 -4.571 -4.401 1.993 1.00 0.00 C ATOM 325 CG LEU A 23 -3.767 -4.261 0.696 1.00 0.00 C ATOM 326 CD1 LEU A 23 -4.512 -4.842 -0.504 1.00 0.00 C ATOM 327 CD2 LEU A 23 -3.519 -2.779 0.434 1.00 0.00 C ATOM 0 H LEU A 23 -5.811 -4.917 4.004 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.480 -6.269 1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.475 -3.798 1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.986 -3.991 2.816 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.833 -4.810 0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.906 -4.721 -1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.704 -5.902 -0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.459 -4.318 -0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.947 -2.663 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.474 -2.262 0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.959 -2.351 1.265 1.00 0.00 H new ATOM 339 N ASN A 24 -3.198 -7.348 1.548 1.00 0.00 N ATOM 340 CA ASN A 24 -2.097 -8.295 1.674 1.00 0.00 C ATOM 341 C ASN A 24 -0.836 -7.615 2.210 1.00 0.00 C ATOM 342 O ASN A 24 -0.145 -8.175 3.052 1.00 0.00 O ATOM 343 CB ASN A 24 -1.820 -8.935 0.314 1.00 0.00 C ATOM 344 CG ASN A 24 -1.302 -7.922 -0.696 1.00 0.00 C ATOM 345 OD1 ASN A 24 -1.921 -6.885 -0.926 1.00 0.00 O ATOM 346 ND2 ASN A 24 -0.156 -8.214 -1.302 1.00 0.00 N ATOM 0 H ASN A 24 -3.494 -7.185 0.586 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.383 -9.067 2.389 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.090 -9.736 0.432 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.735 -9.391 -0.066 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.239 -7.567 -1.985 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.329 -9.085 -1.084 1.00 0.00 H new ATOM 353 N THR A 25 -0.557 -6.408 1.712 1.00 0.00 N ATOM 354 CA THR A 25 0.551 -5.535 2.095 1.00 0.00 C ATOM 355 C THR A 25 1.952 -6.150 2.075 1.00 0.00 C ATOM 356 O THR A 25 2.912 -5.451 2.397 1.00 0.00 O ATOM 357 CB THR A 25 0.256 -4.852 3.434 1.00 0.00 C ATOM 358 OG1 THR A 25 0.287 -5.789 4.488 1.00 0.00 O ATOM 359 CG2 THR A 25 -1.122 -4.199 3.379 1.00 0.00 C ATOM 0 H THR A 25 -1.137 -5.990 0.985 1.00 0.00 H new ATOM 0 HA THR A 25 0.598 -4.796 1.295 1.00 0.00 H new ATOM 0 HB THR A 25 1.020 -4.095 3.615 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.306 -6.696 4.119 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.333 -3.713 4.332 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.141 -3.457 2.581 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.878 -4.960 3.185 1.00 0.00 H new ATOM 367 N LEU A 26 2.106 -7.428 1.708 1.00 0.00 N ATOM 368 CA LEU A 26 3.435 -8.016 1.584 1.00 0.00 C ATOM 369 C LEU A 26 3.937 -7.927 0.145 1.00 0.00 C ATOM 370 O LEU A 26 5.120 -8.151 -0.111 1.00 0.00 O ATOM 371 CB LEU A 26 3.457 -9.479 2.042 1.00 0.00 C ATOM 372 CG LEU A 26 2.863 -9.768 3.421 1.00 0.00 C ATOM 373 CD1 LEU A 26 3.472 -11.085 3.903 1.00 0.00 C ATOM 374 CD2 LEU A 26 3.157 -8.700 4.475 1.00 0.00 C ATOM 0 H LEU A 26 1.336 -8.063 1.496 1.00 0.00 H new ATOM 0 HA LEU A 26 4.096 -7.443 2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.918 -10.076 1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.491 -9.823 2.036 1.00 0.00 H new ATOM 0 HG LEU A 26 1.779 -9.797 3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.074 -11.331 4.888 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.221 -11.880 3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.556 -10.984 3.964 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.698 -8.987 5.421 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.235 -8.607 4.608 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.748 -7.744 4.148 1.00 0.00 H new ATOM 386 N VAL A 27 3.043 -7.606 -0.795 1.00 0.00 N ATOM 387 CA VAL A 27 3.369 -7.546 -2.215 1.00 0.00 C ATOM 388 C VAL A 27 2.867 -6.242 -2.831 1.00 0.00 C ATOM 389 O VAL A 27 3.274 -5.891 -3.935 1.00 0.00 O ATOM 390 CB VAL A 27 2.770 -8.768 -2.930 1.00 0.00 C ATOM 391 CG1 VAL A 27 3.373 -8.930 -4.326 1.00 0.00 C ATOM 392 CG2 VAL A 27 3.026 -10.054 -2.144 1.00 0.00 C ATOM 0 H VAL A 27 2.070 -7.380 -0.587 1.00 0.00 H new ATOM 0 HA VAL A 27 4.452 -7.567 -2.336 1.00 0.00 H new ATOM 0 HB VAL A 27 1.696 -8.596 -3.005 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.934 -9.801 -4.813 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.164 -8.039 -4.918 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.451 -9.066 -4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.590 -10.899 -2.677 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.100 -10.208 -2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.571 -9.974 -1.157 1.00 0.00 H new ATOM 402 N VAL A 28 1.992 -5.515 -2.131 1.00 0.00 N ATOM 403 CA VAL A 28 1.521 -4.220 -2.601 1.00 0.00 C ATOM 404 C VAL A 28 2.506 -3.148 -2.136 1.00 0.00 C ATOM 405 O VAL A 28 3.226 -3.341 -1.155 1.00 0.00 O ATOM 406 CB VAL A 28 0.087 -3.972 -2.112 1.00 0.00 C ATOM 407 CG1 VAL A 28 0.072 -3.076 -0.876 1.00 0.00 C ATOM 408 CG2 VAL A 28 -0.758 -3.303 -3.193 1.00 0.00 C ATOM 0 H VAL A 28 1.598 -5.806 -1.236 1.00 0.00 H new ATOM 0 HA VAL A 28 1.482 -4.190 -3.690 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.332 -4.948 -1.867 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.957 -2.918 -0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.635 -3.553 -0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.528 -2.116 -1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.768 -3.141 -2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.313 -2.345 -3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.798 -3.945 -4.073 1.00 0.00 H new ATOM 418 N LYS A 29 2.538 -2.015 -2.838 1.00 0.00 N ATOM 419 CA LYS A 29 3.376 -0.876 -2.488 1.00 0.00 C ATOM 420 C LYS A 29 2.585 0.408 -2.691 1.00 0.00 C ATOM 421 O LYS A 29 1.472 0.378 -3.216 1.00 0.00 O ATOM 422 CB LYS A 29 4.679 -0.870 -3.303 1.00 0.00 C ATOM 423 CG LYS A 29 4.563 -1.559 -4.666 1.00 0.00 C ATOM 424 CD LYS A 29 5.001 -3.021 -4.547 1.00 0.00 C ATOM 425 CE LYS A 29 4.621 -3.781 -5.815 1.00 0.00 C ATOM 426 NZ LYS A 29 5.189 -5.141 -5.816 1.00 0.00 N ATOM 0 H LYS A 29 1.975 -1.864 -3.675 1.00 0.00 H new ATOM 0 HA LYS A 29 3.663 -0.952 -1.439 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.996 0.162 -3.455 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.460 -1.362 -2.724 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.535 -1.506 -5.024 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.183 -1.043 -5.399 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.078 -3.075 -4.389 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.528 -3.482 -3.680 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.535 -3.838 -5.895 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.977 -3.235 -6.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.120 -5.545 -6.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.188 -5.100 -5.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.660 -5.738 -5.149 1.00 0.00 H new ATOM 440 N LYS A 30 3.150 1.547 -2.278 1.00 0.00 N ATOM 441 CA LYS A 30 2.452 2.819 -2.410 1.00 0.00 C ATOM 442 C LYS A 30 2.121 3.091 -3.873 1.00 0.00 C ATOM 443 O LYS A 30 1.074 3.656 -4.168 1.00 0.00 O ATOM 444 CB LYS A 30 3.320 3.941 -1.840 1.00 0.00 C ATOM 445 CG LYS A 30 2.616 5.274 -2.084 1.00 0.00 C ATOM 446 CD LYS A 30 3.311 6.408 -1.339 1.00 0.00 C ATOM 447 CE LYS A 30 2.603 7.721 -1.663 1.00 0.00 C ATOM 448 NZ LYS A 30 2.886 8.166 -3.042 1.00 0.00 N ATOM 0 H LYS A 30 4.076 1.610 -1.856 1.00 0.00 H new ATOM 0 HA LYS A 30 1.517 2.775 -1.851 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.482 3.789 -0.773 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.301 3.939 -2.315 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.603 5.491 -3.152 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.578 5.205 -1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.288 6.223 -0.265 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.360 6.463 -1.631 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.528 7.597 -1.534 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.922 8.490 -0.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.610 9.163 -3.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.902 8.065 -3.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.345 7.584 -3.713 1.00 0.00 H new ATOM 462 N SER A 31 3.012 2.685 -4.780 1.00 0.00 N ATOM 463 CA SER A 31 2.868 2.945 -6.204 1.00 0.00 C ATOM 464 C SER A 31 1.846 2.000 -6.828 1.00 0.00 C ATOM 465 O SER A 31 1.506 2.154 -7.997 1.00 0.00 O ATOM 466 CB SER A 31 4.225 2.791 -6.892 1.00 0.00 C ATOM 467 OG SER A 31 5.165 3.657 -6.298 1.00 0.00 O ATOM 0 H SER A 31 3.856 2.165 -4.541 1.00 0.00 H new ATOM 0 HA SER A 31 2.509 3.965 -6.340 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.567 1.759 -6.813 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.131 3.015 -7.955 1.00 0.00 H new ATOM 0 HG SER A 31 6.032 3.552 -6.742 1.00 0.00 H new ATOM 473 N ASP A 32 1.353 1.029 -6.054 1.00 0.00 N ATOM 474 CA ASP A 32 0.306 0.133 -6.502 1.00 0.00 C ATOM 475 C ASP A 32 -1.044 0.660 -6.032 1.00 0.00 C ATOM 476 O ASP A 32 -2.011 0.625 -6.787 1.00 0.00 O ATOM 477 CB ASP A 32 0.575 -1.271 -5.952 1.00 0.00 C ATOM 478 CG ASP A 32 1.509 -2.078 -6.854 1.00 0.00 C ATOM 479 OD1 ASP A 32 2.410 -1.466 -7.470 1.00 0.00 O ATOM 480 OD2 ASP A 32 1.311 -3.310 -6.913 1.00 0.00 O ATOM 0 H ASP A 32 1.674 0.850 -5.103 1.00 0.00 H new ATOM 0 HA ASP A 32 0.293 0.080 -7.591 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.013 -1.191 -4.957 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.370 -1.803 -5.842 1.00 0.00 H new ATOM 485 N VAL A 33 -1.135 1.158 -4.795 1.00 0.00 N ATOM 486 CA VAL A 33 -2.411 1.646 -4.284 1.00 0.00 C ATOM 487 C VAL A 33 -2.825 2.907 -5.041 1.00 0.00 C ATOM 488 O VAL A 33 -4.005 3.083 -5.344 1.00 0.00 O ATOM 489 CB VAL A 33 -2.313 1.898 -2.776 1.00 0.00 C ATOM 490 CG1 VAL A 33 -3.666 2.354 -2.229 1.00 0.00 C ATOM 491 CG2 VAL A 33 -1.917 0.613 -2.046 1.00 0.00 C ATOM 0 H VAL A 33 -0.354 1.232 -4.143 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.181 0.891 -4.444 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.560 2.669 -2.613 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.584 2.530 -1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.967 3.276 -2.726 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.412 1.581 -2.414 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.851 0.808 -0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.668 -0.156 -2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.949 0.270 -2.412 1.00 0.00 H new ATOM 501 N GLU A 34 -1.871 3.789 -5.362 1.00 0.00 N ATOM 502 CA GLU A 34 -2.175 4.979 -6.145 1.00 0.00 C ATOM 503 C GLU A 34 -2.294 4.660 -7.638 1.00 0.00 C ATOM 504 O GLU A 34 -2.408 5.572 -8.454 1.00 0.00 O ATOM 505 CB GLU A 34 -1.165 6.097 -5.866 1.00 0.00 C ATOM 506 CG GLU A 34 0.221 5.815 -6.443 1.00 0.00 C ATOM 507 CD GLU A 34 1.162 6.970 -6.115 1.00 0.00 C ATOM 508 OE1 GLU A 34 0.967 8.060 -6.702 1.00 0.00 O ATOM 509 OE2 GLU A 34 2.071 6.765 -5.279 1.00 0.00 O ATOM 0 H GLU A 34 -0.892 3.697 -5.091 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.152 5.345 -5.829 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.542 7.031 -6.284 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.080 6.241 -4.789 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.614 4.885 -6.031 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.155 5.683 -7.523 1.00 0.00 H new ATOM 516 N ALA A 35 -2.270 3.372 -7.997 1.00 0.00 N ATOM 517 CA ALA A 35 -2.418 2.924 -9.373 1.00 0.00 C ATOM 518 C ALA A 35 -3.629 2.005 -9.541 1.00 0.00 C ATOM 519 O ALA A 35 -4.011 1.693 -10.667 1.00 0.00 O ATOM 520 CB ALA A 35 -1.133 2.215 -9.790 1.00 0.00 C ATOM 0 H ALA A 35 -2.146 2.610 -7.330 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.592 3.788 -10.015 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.225 1.871 -10.820 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.294 2.906 -9.712 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.961 1.360 -9.136 1.00 0.00 H new ATOM 526 N ILE A 36 -4.234 1.575 -8.430 1.00 0.00 N ATOM 527 CA ILE A 36 -5.412 0.716 -8.443 1.00 0.00 C ATOM 528 C ILE A 36 -6.661 1.537 -8.118 1.00 0.00 C ATOM 529 O ILE A 36 -7.773 1.130 -8.449 1.00 0.00 O ATOM 530 CB ILE A 36 -5.195 -0.430 -7.443 1.00 0.00 C ATOM 531 CG1 ILE A 36 -4.038 -1.312 -7.925 1.00 0.00 C ATOM 532 CG2 ILE A 36 -6.455 -1.291 -7.310 1.00 0.00 C ATOM 533 CD1 ILE A 36 -3.458 -2.127 -6.771 1.00 0.00 C ATOM 0 H ILE A 36 -3.915 1.817 -7.492 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.563 0.285 -9.433 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.964 0.004 -6.470 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.389 -1.983 -8.709 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.259 -0.689 -8.364 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.273 -2.094 -6.596 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.282 -0.674 -6.959 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.708 -1.718 -8.280 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.638 -2.745 -7.138 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.087 -1.452 -6.000 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.234 -2.766 -6.351 1.00 0.00 H new ATOM 545 N PHE A 37 -6.484 2.697 -7.475 1.00 0.00 N ATOM 546 CA PHE A 37 -7.590 3.566 -7.104 1.00 0.00 C ATOM 547 C PHE A 37 -7.615 4.837 -7.957 1.00 0.00 C ATOM 548 O PHE A 37 -8.591 5.582 -7.931 1.00 0.00 O ATOM 549 CB PHE A 37 -7.502 3.854 -5.604 1.00 0.00 C ATOM 550 CG PHE A 37 -7.846 2.654 -4.752 1.00 0.00 C ATOM 551 CD1 PHE A 37 -6.978 1.551 -4.695 1.00 0.00 C ATOM 552 CD2 PHE A 37 -9.041 2.634 -4.022 1.00 0.00 C ATOM 553 CE1 PHE A 37 -7.317 0.425 -3.932 1.00 0.00 C ATOM 554 CE2 PHE A 37 -9.382 1.509 -3.256 1.00 0.00 C ATOM 555 CZ PHE A 37 -8.518 0.403 -3.208 1.00 0.00 C ATOM 0 H PHE A 37 -5.568 3.053 -7.201 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.539 3.068 -7.303 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.493 4.187 -5.362 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.176 4.674 -5.357 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.046 1.571 -5.241 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -9.702 3.487 -4.049 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -6.653 -0.426 -3.902 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -10.310 1.494 -2.703 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.778 -0.462 -2.615 1.00 0.00 H new ATOM 565 N SER A 38 -6.548 5.103 -8.721 1.00 0.00 N ATOM 566 CA SER A 38 -6.503 6.277 -9.585 1.00 0.00 C ATOM 567 C SER A 38 -7.413 6.096 -10.803 1.00 0.00 C ATOM 568 O SER A 38 -7.639 7.034 -11.566 1.00 0.00 O ATOM 569 CB SER A 38 -5.055 6.546 -9.996 1.00 0.00 C ATOM 570 OG SER A 38 -4.962 7.754 -10.720 1.00 0.00 O ATOM 0 H SER A 38 -5.711 4.521 -8.755 1.00 0.00 H new ATOM 0 HA SER A 38 -6.876 7.143 -9.038 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.423 6.597 -9.110 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.684 5.721 -10.605 1.00 0.00 H new ATOM 0 HG SER A 38 -5.779 7.885 -11.245 1.00 0.00 H new ATOM 576 N LYS A 39 -7.944 4.882 -10.989 1.00 0.00 N ATOM 577 CA LYS A 39 -8.864 4.559 -12.075 1.00 0.00 C ATOM 578 C LYS A 39 -10.319 4.811 -11.674 1.00 0.00 C ATOM 579 O LYS A 39 -11.226 4.574 -12.471 1.00 0.00 O ATOM 580 CB LYS A 39 -8.624 3.122 -12.529 1.00 0.00 C ATOM 581 CG LYS A 39 -8.956 2.148 -11.397 1.00 0.00 C ATOM 582 CD LYS A 39 -8.546 0.723 -11.761 1.00 0.00 C ATOM 583 CE LYS A 39 -9.389 0.188 -12.916 1.00 0.00 C ATOM 584 NZ LYS A 39 -8.992 -1.186 -13.282 1.00 0.00 N ATOM 0 H LYS A 39 -7.742 4.090 -10.380 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.670 5.221 -12.919 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.239 2.901 -13.401 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.585 2.998 -12.833 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.443 2.456 -10.486 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.025 2.180 -11.187 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.492 0.704 -12.036 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.660 0.075 -10.892 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.442 0.202 -12.636 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.281 0.842 -13.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.584 -1.520 -14.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.993 -1.193 -13.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.119 -1.814 -12.463 1.00 0.00 H new ATOM 598 N TYR A 40 -10.544 5.288 -10.446 1.00 0.00 N ATOM 599 CA TYR A 40 -11.873 5.599 -9.928 1.00 0.00 C ATOM 600 C TYR A 40 -11.984 7.068 -9.518 1.00 0.00 C ATOM 601 O TYR A 40 -13.067 7.524 -9.157 1.00 0.00 O ATOM 602 CB TYR A 40 -12.182 4.692 -8.738 1.00 0.00 C ATOM 603 CG TYR A 40 -12.626 3.307 -9.135 1.00 0.00 C ATOM 604 CD1 TYR A 40 -13.981 3.067 -9.406 1.00 0.00 C ATOM 605 CD2 TYR A 40 -11.692 2.265 -9.232 1.00 0.00 C ATOM 606 CE1 TYR A 40 -14.408 1.785 -9.773 1.00 0.00 C ATOM 607 CE2 TYR A 40 -12.108 0.985 -9.619 1.00 0.00 C ATOM 608 CZ TYR A 40 -13.470 0.738 -9.886 1.00 0.00 C ATOM 609 OH TYR A 40 -13.883 -0.509 -10.250 1.00 0.00 O ATOM 0 H TYR A 40 -9.796 5.470 -9.777 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.600 5.423 -10.720 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -11.294 4.614 -8.111 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -12.961 5.155 -8.132 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.696 3.873 -9.331 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -10.652 2.450 -9.008 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -15.454 1.598 -9.969 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -11.386 0.188 -9.713 1.00 0.00 H new ATOM 0 HH TYR A 40 -13.351 -1.181 -9.775 1.00 0.00 H new ATOM 619 N GLY A 41 -10.877 7.814 -9.565 1.00 0.00 N ATOM 620 CA GLY A 41 -10.883 9.214 -9.177 1.00 0.00 C ATOM 621 C GLY A 41 -9.479 9.805 -9.151 1.00 0.00 C ATOM 622 O GLY A 41 -8.487 9.081 -9.242 1.00 0.00 O ATOM 0 H GLY A 41 -9.968 7.465 -9.869 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.502 9.780 -9.873 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.337 9.315 -8.191 1.00 0.00 H new ATOM 626 N LYS A 42 -9.392 11.135 -9.025 1.00 0.00 N ATOM 627 CA LYS A 42 -8.118 11.835 -8.955 1.00 0.00 C ATOM 628 C LYS A 42 -7.556 11.708 -7.548 1.00 0.00 C ATOM 629 O LYS A 42 -8.128 12.251 -6.603 1.00 0.00 O ATOM 630 CB LYS A 42 -8.320 13.305 -9.332 1.00 0.00 C ATOM 631 CG LYS A 42 -7.075 14.144 -9.018 1.00 0.00 C ATOM 632 CD LYS A 42 -5.832 13.651 -9.762 1.00 0.00 C ATOM 633 CE LYS A 42 -4.621 14.427 -9.251 1.00 0.00 C ATOM 634 NZ LYS A 42 -3.385 14.002 -9.939 1.00 0.00 N ATOM 0 H LYS A 42 -10.205 11.749 -8.969 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.409 11.395 -9.657 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.552 13.380 -10.394 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.176 13.706 -8.790 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.265 15.184 -9.284 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.886 14.119 -7.945 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.693 12.582 -9.600 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.950 13.798 -10.836 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.778 15.494 -9.406 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.514 14.273 -8.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.578 14.546 -9.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.225 12.988 -9.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.480 14.172 -10.961 1.00 0.00 H new ATOM 648 N ILE A 43 -6.436 10.998 -7.408 1.00 0.00 N ATOM 649 CA ILE A 43 -5.760 10.873 -6.127 1.00 0.00 C ATOM 650 C ILE A 43 -4.814 12.055 -5.962 1.00 0.00 C ATOM 651 O ILE A 43 -4.033 12.359 -6.861 1.00 0.00 O ATOM 652 CB ILE A 43 -5.025 9.533 -6.033 1.00 0.00 C ATOM 653 CG1 ILE A 43 -6.045 8.392 -6.121 1.00 0.00 C ATOM 654 CG2 ILE A 43 -4.250 9.457 -4.714 1.00 0.00 C ATOM 655 CD1 ILE A 43 -5.397 7.012 -5.991 1.00 0.00 C ATOM 0 H ILE A 43 -5.980 10.501 -8.173 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.487 10.888 -5.315 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.316 9.443 -6.856 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.790 8.515 -5.335 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.572 8.454 -7.073 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.729 8.502 -4.653 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.524 10.269 -4.671 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.944 9.546 -3.878 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.165 6.241 -6.060 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.671 6.874 -6.792 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.893 6.936 -5.028 1.00 0.00 H new ATOM 667 N VAL A 44 -4.892 12.717 -4.805 1.00 0.00 N ATOM 668 CA VAL A 44 -4.016 13.830 -4.459 1.00 0.00 C ATOM 669 C VAL A 44 -3.212 13.507 -3.205 1.00 0.00 C ATOM 670 O VAL A 44 -2.497 14.358 -2.680 1.00 0.00 O ATOM 671 CB VAL A 44 -4.819 15.128 -4.307 1.00 0.00 C ATOM 672 CG1 VAL A 44 -5.304 15.589 -5.682 1.00 0.00 C ATOM 673 CG2 VAL A 44 -6.033 14.926 -3.400 1.00 0.00 C ATOM 0 H VAL A 44 -5.572 12.491 -4.079 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.307 13.983 -5.272 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.168 15.878 -3.858 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.875 16.511 -5.576 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.446 15.766 -6.330 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.938 14.819 -6.121 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.582 15.864 -3.312 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.684 14.164 -3.828 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.700 14.606 -2.412 1.00 0.00 H new ATOM 683 N GLY A 45 -3.328 12.266 -2.725 1.00 0.00 N ATOM 684 CA GLY A 45 -2.540 11.773 -1.608 1.00 0.00 C ATOM 685 C GLY A 45 -2.773 10.277 -1.427 1.00 0.00 C ATOM 686 O GLY A 45 -3.877 9.789 -1.660 1.00 0.00 O ATOM 0 H GLY A 45 -3.976 11.577 -3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.482 11.966 -1.785 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.813 12.305 -0.697 1.00 0.00 H new ATOM 690 N CYS A 46 -1.744 9.538 -1.014 1.00 0.00 N ATOM 691 CA CYS A 46 -1.858 8.105 -0.815 1.00 0.00 C ATOM 692 C CYS A 46 -0.820 7.624 0.196 1.00 0.00 C ATOM 693 O CYS A 46 0.274 8.178 0.285 1.00 0.00 O ATOM 694 CB CYS A 46 -1.666 7.401 -2.162 1.00 0.00 C ATOM 695 SG CYS A 46 -1.852 5.611 -1.960 1.00 0.00 S ATOM 0 H CYS A 46 -0.819 9.917 -0.811 1.00 0.00 H new ATOM 0 HA CYS A 46 -2.845 7.867 -0.419 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -2.396 7.771 -2.882 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.678 7.629 -2.563 1.00 0.00 H new ATOM 0 HG CYS A 46 -2.550 5.365 -0.891 1.00 0.00 H new ATOM 701 N SER A 47 -1.165 6.586 0.958 1.00 0.00 N ATOM 702 CA SER A 47 -0.252 5.956 1.900 1.00 0.00 C ATOM 703 C SER A 47 -0.600 4.477 2.021 1.00 0.00 C ATOM 704 O SER A 47 -1.719 4.062 1.717 1.00 0.00 O ATOM 705 CB SER A 47 -0.331 6.663 3.255 1.00 0.00 C ATOM 706 OG SER A 47 -1.619 6.506 3.810 1.00 0.00 O ATOM 0 H SER A 47 -2.091 6.160 0.936 1.00 0.00 H new ATOM 0 HA SER A 47 0.774 6.041 1.541 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.418 6.252 3.932 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.105 7.723 3.135 1.00 0.00 H new ATOM 0 HG SER A 47 -1.595 5.812 4.502 1.00 0.00 H new ATOM 712 N VAL A 48 0.360 3.668 2.464 1.00 0.00 N ATOM 713 CA VAL A 48 0.154 2.237 2.610 1.00 0.00 C ATOM 714 C VAL A 48 0.920 1.726 3.825 1.00 0.00 C ATOM 715 O VAL A 48 2.006 2.212 4.144 1.00 0.00 O ATOM 716 CB VAL A 48 0.527 1.519 1.308 1.00 0.00 C ATOM 717 CG1 VAL A 48 1.939 1.879 0.858 1.00 0.00 C ATOM 718 CG2 VAL A 48 0.410 0.003 1.440 1.00 0.00 C ATOM 0 H VAL A 48 1.292 3.986 2.728 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.899 2.022 2.791 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.185 1.858 0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.171 1.353 -0.068 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.005 2.954 0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.652 1.588 1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.683 -0.467 0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.080 -0.347 2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.616 -0.262 1.693 1.00 0.00 H new ATOM 728 N HIS A 49 0.333 0.736 4.501 1.00 0.00 N ATOM 729 CA HIS A 49 0.822 0.217 5.769 1.00 0.00 C ATOM 730 C HIS A 49 0.703 -1.303 5.749 1.00 0.00 C ATOM 731 O HIS A 49 0.416 -1.880 4.698 1.00 0.00 O ATOM 732 CB HIS A 49 -0.029 0.823 6.890 1.00 0.00 C ATOM 733 CG HIS A 49 -0.278 2.300 6.704 1.00 0.00 C ATOM 734 ND1 HIS A 49 0.518 3.329 7.210 1.00 0.00 N ATOM 735 CD2 HIS A 49 -1.323 2.843 6.011 1.00 0.00 C ATOM 736 CE1 HIS A 49 -0.069 4.467 6.800 1.00 0.00 C ATOM 737 NE2 HIS A 49 -1.168 4.208 6.076 1.00 0.00 N ATOM 0 H HIS A 49 -0.511 0.267 4.172 1.00 0.00 H new ATOM 0 HA HIS A 49 1.867 0.481 5.934 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.985 0.301 6.936 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.469 0.661 7.846 1.00 0.00 H new ATOM 0 HD1 HIS A 49 1.365 3.237 7.771 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.115 2.306 5.511 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.296 5.458 7.024 1.00 0.00 H new ATOM 745 N LYS A 50 0.914 -1.975 6.885 1.00 0.00 N ATOM 746 CA LYS A 50 0.682 -3.414 6.946 1.00 0.00 C ATOM 747 C LYS A 50 -0.776 -3.693 7.282 1.00 0.00 C ATOM 748 O LYS A 50 -1.336 -3.084 8.188 1.00 0.00 O ATOM 749 CB LYS A 50 1.627 -4.100 7.931 1.00 0.00 C ATOM 750 CG LYS A 50 3.076 -3.945 7.468 1.00 0.00 C ATOM 751 CD LYS A 50 3.955 -5.054 8.049 1.00 0.00 C ATOM 752 CE LYS A 50 3.893 -5.128 9.574 1.00 0.00 C ATOM 753 NZ LYS A 50 4.446 -3.913 10.204 1.00 0.00 N ATOM 0 H LYS A 50 1.238 -1.553 7.755 1.00 0.00 H new ATOM 0 HA LYS A 50 0.897 -3.836 5.964 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.506 -3.666 8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.375 -5.157 8.012 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.119 -3.974 6.379 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.459 -2.972 7.777 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.645 -6.012 7.631 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.988 -4.891 7.740 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.858 -5.263 9.890 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.448 -6.001 9.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.402 -4.008 11.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.436 -3.789 9.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.890 -3.085 9.908 1.00 0.00 H new ATOM 767 N GLY A 51 -1.377 -4.625 6.545 1.00 0.00 N ATOM 768 CA GLY A 51 -2.764 -5.024 6.709 1.00 0.00 C ATOM 769 C GLY A 51 -3.765 -4.003 6.169 1.00 0.00 C ATOM 770 O GLY A 51 -4.930 -4.343 5.979 1.00 0.00 O ATOM 0 H GLY A 51 -0.898 -5.133 5.801 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.921 -5.976 6.203 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.963 -5.189 7.768 1.00 0.00 H new ATOM 774 N PHE A 52 -3.346 -2.759 5.913 1.00 0.00 N ATOM 775 CA PHE A 52 -4.246 -1.745 5.378 1.00 0.00 C ATOM 776 C PHE A 52 -3.498 -0.672 4.592 1.00 0.00 C ATOM 777 O PHE A 52 -2.270 -0.608 4.607 1.00 0.00 O ATOM 778 CB PHE A 52 -5.036 -1.072 6.505 1.00 0.00 C ATOM 779 CG PHE A 52 -4.181 -0.333 7.508 1.00 0.00 C ATOM 780 CD1 PHE A 52 -3.574 -1.027 8.562 1.00 0.00 C ATOM 781 CD2 PHE A 52 -3.996 1.052 7.382 1.00 0.00 C ATOM 782 CE1 PHE A 52 -2.771 -0.344 9.482 1.00 0.00 C ATOM 783 CE2 PHE A 52 -3.195 1.735 8.305 1.00 0.00 C ATOM 784 CZ PHE A 52 -2.578 1.037 9.350 1.00 0.00 C ATOM 0 H PHE A 52 -2.391 -2.436 6.069 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.928 -2.260 4.701 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.748 -0.373 6.067 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.617 -1.831 7.029 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.726 -2.091 8.665 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.470 1.590 6.575 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.301 -0.881 10.293 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.053 2.801 8.211 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.952 1.564 10.055 1.00 0.00 H new ATOM 794 N ALA A 53 -4.262 0.176 3.901 1.00 0.00 N ATOM 795 CA ALA A 53 -3.748 1.317 3.165 1.00 0.00 C ATOM 796 C ALA A 53 -4.775 2.452 3.182 1.00 0.00 C ATOM 797 O ALA A 53 -5.924 2.248 3.572 1.00 0.00 O ATOM 798 CB ALA A 53 -3.419 0.888 1.734 1.00 0.00 C ATOM 0 H ALA A 53 -5.276 0.081 3.840 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.835 1.683 3.635 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.033 1.742 1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.668 0.098 1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.322 0.517 1.249 1.00 0.00 H new ATOM 804 N PHE A 54 -4.357 3.646 2.758 1.00 0.00 N ATOM 805 CA PHE A 54 -5.212 4.824 2.733 1.00 0.00 C ATOM 806 C PHE A 54 -5.011 5.618 1.445 1.00 0.00 C ATOM 807 O PHE A 54 -3.915 5.655 0.887 1.00 0.00 O ATOM 808 CB PHE A 54 -4.936 5.703 3.958 1.00 0.00 C ATOM 809 CG PHE A 54 -5.792 5.361 5.151 1.00 0.00 C ATOM 810 CD1 PHE A 54 -7.171 5.604 5.096 1.00 0.00 C ATOM 811 CD2 PHE A 54 -5.222 4.811 6.307 1.00 0.00 C ATOM 812 CE1 PHE A 54 -7.986 5.277 6.184 1.00 0.00 C ATOM 813 CE2 PHE A 54 -6.037 4.483 7.398 1.00 0.00 C ATOM 814 CZ PHE A 54 -7.418 4.711 7.334 1.00 0.00 C ATOM 0 H PHE A 54 -3.410 3.819 2.421 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.251 4.495 2.765 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.886 5.607 4.235 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.101 6.747 3.690 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -7.605 6.045 4.211 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.157 4.640 6.357 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -9.049 5.460 6.139 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.601 4.054 8.288 1.00 0.00 H new ATOM 0 HZ PHE A 54 -8.046 4.450 8.173 1.00 0.00 H new ATOM 824 N VAL A 55 -6.087 6.256 0.979 1.00 0.00 N ATOM 825 CA VAL A 55 -6.061 7.075 -0.223 1.00 0.00 C ATOM 826 C VAL A 55 -6.820 8.368 0.047 1.00 0.00 C ATOM 827 O VAL A 55 -7.785 8.375 0.810 1.00 0.00 O ATOM 828 CB VAL A 55 -6.661 6.299 -1.405 1.00 0.00 C ATOM 829 CG1 VAL A 55 -6.634 7.147 -2.680 1.00 0.00 C ATOM 830 CG2 VAL A 55 -5.859 5.026 -1.672 1.00 0.00 C ATOM 0 H VAL A 55 -7.001 6.216 1.430 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.033 7.324 -0.488 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.689 6.050 -1.143 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.064 6.578 -3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.215 8.056 -2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.604 7.411 -2.919 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.298 4.489 -2.513 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.828 5.288 -1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.878 4.391 -0.786 1.00 0.00 H new ATOM 840 N GLN A 56 -6.378 9.455 -0.584 1.00 0.00 N ATOM 841 CA GLN A 56 -6.972 10.773 -0.444 1.00 0.00 C ATOM 842 C GLN A 56 -7.356 11.296 -1.827 1.00 0.00 C ATOM 843 O GLN A 56 -6.490 11.639 -2.637 1.00 0.00 O ATOM 844 CB GLN A 56 -5.954 11.680 0.257 1.00 0.00 C ATOM 845 CG GLN A 56 -6.407 13.135 0.393 1.00 0.00 C ATOM 846 CD GLN A 56 -7.640 13.261 1.274 1.00 0.00 C ATOM 847 OE1 GLN A 56 -7.534 13.390 2.490 1.00 0.00 O ATOM 848 NE2 GLN A 56 -8.817 13.220 0.661 1.00 0.00 N ATOM 0 H GLN A 56 -5.580 9.438 -1.219 1.00 0.00 H new ATOM 0 HA GLN A 56 -7.880 10.744 0.158 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.749 11.280 1.250 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.016 11.653 -0.297 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.597 13.730 0.814 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.622 13.543 -0.595 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -8.861 13.112 -0.352 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.677 13.297 1.203 1.00 0.00 H new ATOM 857 N TYR A 57 -8.661 11.360 -2.092 1.00 0.00 N ATOM 858 CA TYR A 57 -9.186 11.909 -3.332 1.00 0.00 C ATOM 859 C TYR A 57 -9.424 13.408 -3.174 1.00 0.00 C ATOM 860 O TYR A 57 -9.141 13.984 -2.122 1.00 0.00 O ATOM 861 CB TYR A 57 -10.495 11.221 -3.717 1.00 0.00 C ATOM 862 CG TYR A 57 -10.368 9.796 -4.198 1.00 0.00 C ATOM 863 CD1 TYR A 57 -9.494 9.489 -5.249 1.00 0.00 C ATOM 864 CD2 TYR A 57 -11.146 8.789 -3.613 1.00 0.00 C ATOM 865 CE1 TYR A 57 -9.429 8.181 -5.748 1.00 0.00 C ATOM 866 CE2 TYR A 57 -11.093 7.481 -4.114 1.00 0.00 C ATOM 867 CZ TYR A 57 -10.235 7.176 -5.185 1.00 0.00 C ATOM 868 OH TYR A 57 -10.192 5.908 -5.670 1.00 0.00 O ATOM 0 H TYR A 57 -9.381 11.031 -1.449 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.455 11.736 -4.122 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -11.160 11.236 -2.853 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.976 11.808 -4.499 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -8.870 10.261 -5.675 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -11.787 9.020 -2.775 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -8.761 7.946 -6.563 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -11.710 6.709 -3.678 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.613 5.879 -6.460 1.00 0.00 H new ATOM 878 N VAL A 58 -9.945 14.044 -4.230 1.00 0.00 N ATOM 879 CA VAL A 58 -10.216 15.473 -4.222 1.00 0.00 C ATOM 880 C VAL A 58 -11.572 15.769 -3.577 1.00 0.00 C ATOM 881 O VAL A 58 -11.781 16.861 -3.053 1.00 0.00 O ATOM 882 CB VAL A 58 -10.165 16.006 -5.662 1.00 0.00 C ATOM 883 CG1 VAL A 58 -10.472 17.504 -5.719 1.00 0.00 C ATOM 884 CG2 VAL A 58 -8.770 15.797 -6.246 1.00 0.00 C ATOM 0 H VAL A 58 -10.187 13.580 -5.105 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.455 15.978 -3.627 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.915 15.460 -6.233 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.427 17.846 -6.753 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.470 17.686 -5.320 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.738 18.049 -5.125 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.742 16.178 -7.267 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.038 16.331 -5.640 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.532 14.733 -6.249 1.00 0.00 H new ATOM 894 N ASN A 59 -12.495 14.802 -3.613 1.00 0.00 N ATOM 895 CA ASN A 59 -13.850 14.979 -3.103 1.00 0.00 C ATOM 896 C ASN A 59 -14.463 13.652 -2.653 1.00 0.00 C ATOM 897 O ASN A 59 -13.857 12.592 -2.803 1.00 0.00 O ATOM 898 CB ASN A 59 -14.705 15.616 -4.203 1.00 0.00 C ATOM 899 CG ASN A 59 -14.735 14.757 -5.452 1.00 0.00 C ATOM 900 OD1 ASN A 59 -15.199 13.624 -5.422 1.00 0.00 O ATOM 901 ND2 ASN A 59 -14.241 15.284 -6.564 1.00 0.00 N ATOM 0 H ASN A 59 -12.319 13.874 -3.998 1.00 0.00 H new ATOM 0 HA ASN A 59 -13.816 15.628 -2.228 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -15.721 15.762 -3.836 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -14.309 16.602 -4.448 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.240 14.743 -7.428 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.862 16.231 -6.555 1.00 0.00 H new ATOM 908 N GLU A 60 -15.676 13.722 -2.102 1.00 0.00 N ATOM 909 CA GLU A 60 -16.396 12.565 -1.587 1.00 0.00 C ATOM 910 C GLU A 60 -16.882 11.666 -2.721 1.00 0.00 C ATOM 911 O GLU A 60 -16.892 10.446 -2.584 1.00 0.00 O ATOM 912 CB GLU A 60 -17.581 13.060 -0.753 1.00 0.00 C ATOM 913 CG GLU A 60 -18.595 11.941 -0.500 1.00 0.00 C ATOM 914 CD GLU A 60 -19.652 12.346 0.527 1.00 0.00 C ATOM 915 OE1 GLU A 60 -20.117 13.502 0.455 1.00 0.00 O ATOM 916 OE2 GLU A 60 -19.985 11.488 1.376 1.00 0.00 O ATOM 0 H GLU A 60 -16.189 14.598 -2.001 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.724 11.971 -0.967 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.220 13.448 0.200 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -18.070 13.886 -1.269 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -19.084 11.676 -1.438 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.072 11.051 -0.150 1.00 0.00 H new ATOM 923 N ARG A 61 -17.283 12.265 -3.842 1.00 0.00 N ATOM 924 CA ARG A 61 -17.808 11.533 -4.987 1.00 0.00 C ATOM 925 C ARG A 61 -16.778 10.513 -5.476 1.00 0.00 C ATOM 926 O ARG A 61 -17.133 9.394 -5.845 1.00 0.00 O ATOM 927 CB ARG A 61 -18.177 12.593 -6.035 1.00 0.00 C ATOM 928 CG ARG A 61 -17.906 12.194 -7.483 1.00 0.00 C ATOM 929 CD ARG A 61 -18.814 11.053 -7.931 1.00 0.00 C ATOM 930 NE ARG A 61 -20.218 11.480 -8.011 1.00 0.00 N ATOM 931 CZ ARG A 61 -21.243 10.643 -8.186 1.00 0.00 C ATOM 932 NH1 ARG A 61 -21.038 9.333 -8.301 1.00 0.00 N ATOM 933 NH2 ARG A 61 -22.483 11.119 -8.245 1.00 0.00 N ATOM 0 H ARG A 61 -17.251 13.275 -3.979 1.00 0.00 H new ATOM 0 HA ARG A 61 -18.694 10.946 -4.746 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -19.236 12.830 -5.932 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.623 13.506 -5.816 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -18.057 13.056 -8.133 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.864 11.893 -7.589 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -18.488 10.688 -8.905 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -18.725 10.221 -7.233 1.00 0.00 H new ATOM 0 HE ARG A 61 -20.421 12.476 -7.928 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -20.090 8.959 -8.256 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -21.829 8.703 -8.434 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -22.649 12.121 -8.157 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -23.268 10.482 -8.379 1.00 0.00 H new ATOM 947 N ASN A 62 -15.499 10.890 -5.482 1.00 0.00 N ATOM 948 CA ASN A 62 -14.428 10.005 -5.907 1.00 0.00 C ATOM 949 C ASN A 62 -14.256 8.859 -4.903 1.00 0.00 C ATOM 950 O ASN A 62 -13.941 7.734 -5.291 1.00 0.00 O ATOM 951 CB ASN A 62 -13.142 10.827 -6.031 1.00 0.00 C ATOM 952 CG ASN A 62 -13.070 11.605 -7.338 1.00 0.00 C ATOM 953 OD1 ASN A 62 -12.065 11.561 -8.038 1.00 0.00 O ATOM 954 ND2 ASN A 62 -14.124 12.333 -7.694 1.00 0.00 N ATOM 0 H ASN A 62 -15.183 11.816 -5.192 1.00 0.00 H new ATOM 0 HA ASN A 62 -14.668 9.561 -6.873 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.077 11.522 -5.194 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.281 10.162 -5.960 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.105 12.867 -8.563 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.952 12.357 -7.098 1.00 0.00 H new ATOM 961 N ALA A 63 -14.463 9.135 -3.610 1.00 0.00 N ATOM 962 CA ALA A 63 -14.332 8.102 -2.594 1.00 0.00 C ATOM 963 C ALA A 63 -15.449 7.079 -2.719 1.00 0.00 C ATOM 964 O ALA A 63 -15.189 5.883 -2.606 1.00 0.00 O ATOM 965 CB ALA A 63 -14.337 8.738 -1.208 1.00 0.00 C ATOM 0 H ALA A 63 -14.719 10.055 -3.252 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.385 7.583 -2.741 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.239 7.960 -0.451 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.502 9.434 -1.124 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.274 9.275 -1.057 1.00 0.00 H new ATOM 971 N ARG A 64 -16.686 7.523 -2.951 1.00 0.00 N ATOM 972 CA ARG A 64 -17.812 6.614 -3.099 1.00 0.00 C ATOM 973 C ARG A 64 -17.618 5.737 -4.338 1.00 0.00 C ATOM 974 O ARG A 64 -18.148 4.629 -4.394 1.00 0.00 O ATOM 975 CB ARG A 64 -19.112 7.415 -3.262 1.00 0.00 C ATOM 976 CG ARG A 64 -19.430 8.327 -2.074 1.00 0.00 C ATOM 977 CD ARG A 64 -19.781 7.538 -0.818 1.00 0.00 C ATOM 978 NE ARG A 64 -20.068 8.458 0.289 1.00 0.00 N ATOM 979 CZ ARG A 64 -20.411 8.084 1.522 1.00 0.00 C ATOM 980 NH1 ARG A 64 -20.552 6.799 1.838 1.00 0.00 N ATOM 981 NH2 ARG A 64 -20.618 9.012 2.448 1.00 0.00 N ATOM 0 H ARG A 64 -16.928 8.510 -3.040 1.00 0.00 H new ATOM 0 HA ARG A 64 -17.871 5.987 -2.209 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -19.043 8.021 -4.165 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.940 6.721 -3.407 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -18.572 8.967 -1.870 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -20.262 8.982 -2.334 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -20.646 6.903 -1.008 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -18.955 6.879 -0.550 1.00 0.00 H new ATOM 0 HE ARG A 64 -20.000 9.458 0.101 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -20.397 6.080 1.131 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -20.815 6.533 2.787 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -20.514 9.999 2.213 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -20.881 8.738 3.395 1.00 0.00 H new ATOM 995 N ALA A 65 -16.862 6.232 -5.324 1.00 0.00 N ATOM 996 CA ALA A 65 -16.632 5.507 -6.561 1.00 0.00 C ATOM 997 C ALA A 65 -15.753 4.285 -6.324 1.00 0.00 C ATOM 998 O ALA A 65 -16.023 3.223 -6.877 1.00 0.00 O ATOM 999 CB ALA A 65 -15.966 6.443 -7.570 1.00 0.00 C ATOM 0 H ALA A 65 -16.399 7.140 -5.280 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.589 5.160 -6.950 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -15.789 5.907 -8.502 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -16.617 7.296 -7.760 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -15.016 6.794 -7.168 1.00 0.00 H new ATOM 1005 N ALA A 66 -14.704 4.423 -5.508 1.00 0.00 N ATOM 1006 CA ALA A 66 -13.815 3.301 -5.238 1.00 0.00 C ATOM 1007 C ALA A 66 -14.270 2.485 -4.030 1.00 0.00 C ATOM 1008 O ALA A 66 -13.987 1.290 -3.948 1.00 0.00 O ATOM 1009 CB ALA A 66 -12.402 3.831 -5.045 1.00 0.00 C ATOM 0 H ALA A 66 -14.456 5.290 -5.031 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.839 2.622 -6.090 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.726 3.000 -4.842 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.080 4.348 -5.949 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.385 4.526 -4.205 1.00 0.00 H new ATOM 1015 N VAL A 67 -14.978 3.117 -3.091 1.00 0.00 N ATOM 1016 CA VAL A 67 -15.498 2.430 -1.915 1.00 0.00 C ATOM 1017 C VAL A 67 -16.655 1.507 -2.295 1.00 0.00 C ATOM 1018 O VAL A 67 -16.950 0.559 -1.575 1.00 0.00 O ATOM 1019 CB VAL A 67 -15.896 3.458 -0.846 1.00 0.00 C ATOM 1020 CG1 VAL A 67 -16.777 2.842 0.235 1.00 0.00 C ATOM 1021 CG2 VAL A 67 -14.628 4.005 -0.187 1.00 0.00 C ATOM 0 H VAL A 67 -15.204 4.111 -3.127 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.719 1.796 -1.491 1.00 0.00 H new ATOM 0 HB VAL A 67 -16.461 4.251 -1.337 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -17.036 3.603 0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -17.688 2.450 -0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -16.238 2.031 0.725 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -14.900 4.736 0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.077 3.187 0.276 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.003 4.482 -0.942 1.00 0.00 H new ATOM 1031 N ALA A 68 -17.312 1.775 -3.425 1.00 0.00 N ATOM 1032 CA ALA A 68 -18.337 0.889 -3.958 1.00 0.00 C ATOM 1033 C ALA A 68 -17.875 0.174 -5.229 1.00 0.00 C ATOM 1034 O ALA A 68 -18.552 -0.740 -5.696 1.00 0.00 O ATOM 1035 CB ALA A 68 -19.612 1.695 -4.205 1.00 0.00 C ATOM 0 H ALA A 68 -17.147 2.608 -3.990 1.00 0.00 H new ATOM 0 HA ALA A 68 -18.538 0.107 -3.225 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -20.385 1.039 -4.604 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -19.955 2.130 -3.266 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -19.406 2.491 -4.921 1.00 0.00 H new ATOM 1041 N GLY A 69 -16.732 0.579 -5.796 1.00 0.00 N ATOM 1042 CA GLY A 69 -16.224 -0.006 -7.031 1.00 0.00 C ATOM 1043 C GLY A 69 -15.192 -1.113 -6.805 1.00 0.00 C ATOM 1044 O GLY A 69 -15.205 -2.115 -7.519 1.00 0.00 O ATOM 0 H GLY A 69 -16.141 1.316 -5.411 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.060 -0.411 -7.602 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.774 0.780 -7.638 1.00 0.00 H new ATOM 1048 N GLU A 70 -14.304 -0.941 -5.823 1.00 0.00 N ATOM 1049 CA GLU A 70 -13.218 -1.883 -5.556 1.00 0.00 C ATOM 1050 C GLU A 70 -13.474 -2.719 -4.310 1.00 0.00 C ATOM 1051 O GLU A 70 -12.793 -3.718 -4.100 1.00 0.00 O ATOM 1052 CB GLU A 70 -11.906 -1.106 -5.400 1.00 0.00 C ATOM 1053 CG GLU A 70 -11.479 -0.444 -6.709 1.00 0.00 C ATOM 1054 CD GLU A 70 -11.017 -1.480 -7.731 1.00 0.00 C ATOM 1055 OE1 GLU A 70 -11.880 -2.015 -8.462 1.00 0.00 O ATOM 1056 OE2 GLU A 70 -9.791 -1.734 -7.777 1.00 0.00 O ATOM 0 H GLU A 70 -14.319 -0.142 -5.190 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.155 -2.571 -6.399 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.024 -0.344 -4.629 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.121 -1.782 -5.062 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.312 0.127 -7.119 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.672 0.263 -6.515 1.00 0.00 H new ATOM 1063 N ASP A 71 -14.442 -2.343 -3.473 1.00 0.00 N ATOM 1064 CA ASP A 71 -14.682 -3.078 -2.243 1.00 0.00 C ATOM 1065 C ASP A 71 -15.033 -4.534 -2.549 1.00 0.00 C ATOM 1066 O ASP A 71 -15.909 -4.813 -3.368 1.00 0.00 O ATOM 1067 CB ASP A 71 -15.787 -2.390 -1.441 1.00 0.00 C ATOM 1068 CG ASP A 71 -16.191 -3.227 -0.229 1.00 0.00 C ATOM 1069 OD1 ASP A 71 -15.271 -3.706 0.472 1.00 0.00 O ATOM 1070 OD2 ASP A 71 -17.414 -3.381 -0.014 1.00 0.00 O ATOM 0 H ASP A 71 -15.060 -1.546 -3.625 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.774 -3.082 -1.640 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.444 -1.409 -1.111 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.655 -2.226 -2.079 1.00 0.00 H new ATOM 1075 N GLY A 72 -14.344 -5.464 -1.880 1.00 0.00 N ATOM 1076 CA GLY A 72 -14.581 -6.890 -2.039 1.00 0.00 C ATOM 1077 C GLY A 72 -13.804 -7.490 -3.211 1.00 0.00 C ATOM 1078 O GLY A 72 -14.088 -8.621 -3.612 1.00 0.00 O ATOM 0 H GLY A 72 -13.605 -5.241 -1.213 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.300 -7.405 -1.120 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.647 -7.063 -2.189 1.00 0.00 H new ATOM 1082 N ARG A 73 -12.831 -6.760 -3.770 1.00 0.00 N ATOM 1083 CA ARG A 73 -12.050 -7.256 -4.897 1.00 0.00 C ATOM 1084 C ARG A 73 -10.804 -7.992 -4.421 1.00 0.00 C ATOM 1085 O ARG A 73 -10.372 -7.809 -3.286 1.00 0.00 O ATOM 1086 CB ARG A 73 -11.696 -6.129 -5.874 1.00 0.00 C ATOM 1087 CG ARG A 73 -10.474 -5.314 -5.438 1.00 0.00 C ATOM 1088 CD ARG A 73 -9.906 -4.557 -6.636 1.00 0.00 C ATOM 1089 NE ARG A 73 -9.206 -5.476 -7.541 1.00 0.00 N ATOM 1090 CZ ARG A 73 -8.556 -5.100 -8.645 1.00 0.00 C ATOM 1091 NH1 ARG A 73 -8.512 -3.823 -9.009 1.00 0.00 N ATOM 1092 NH2 ARG A 73 -7.942 -6.012 -9.395 1.00 0.00 N ATOM 0 H ARG A 73 -12.570 -5.825 -3.457 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.670 -7.971 -5.438 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.507 -6.557 -6.859 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.552 -5.462 -5.975 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.754 -4.613 -4.652 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.715 -5.975 -5.020 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.712 -4.054 -7.171 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.220 -3.783 -6.292 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.217 -6.470 -7.311 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.979 -3.115 -8.442 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.011 -3.551 -9.855 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.969 -6.996 -9.126 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.445 -5.727 -10.239 1.00 0.00 H new ATOM 1106 N MET A 74 -10.221 -8.821 -5.290 1.00 0.00 N ATOM 1107 CA MET A 74 -8.988 -9.516 -4.975 1.00 0.00 C ATOM 1108 C MET A 74 -7.788 -8.789 -5.570 1.00 0.00 C ATOM 1109 O MET A 74 -7.834 -8.310 -6.703 1.00 0.00 O ATOM 1110 CB MET A 74 -9.067 -10.969 -5.442 1.00 0.00 C ATOM 1111 CG MET A 74 -7.709 -11.645 -5.256 1.00 0.00 C ATOM 1112 SD MET A 74 -7.780 -13.448 -5.164 1.00 0.00 S ATOM 1113 CE MET A 74 -8.513 -13.562 -3.514 1.00 0.00 C ATOM 0 H MET A 74 -10.591 -9.022 -6.219 1.00 0.00 H new ATOM 0 HA MET A 74 -8.852 -9.523 -3.894 1.00 0.00 H new ATOM 0 HB2 MET A 74 -9.830 -11.502 -4.875 1.00 0.00 H new ATOM 0 HB3 MET A 74 -9.363 -11.008 -6.490 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.059 -11.361 -6.083 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.249 -11.265 -4.344 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.023 -14.357 -2.952 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.382 -12.615 -2.991 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.577 -13.783 -3.603 1.00 0.00 H new ATOM 1123 N ILE A 75 -6.711 -8.716 -4.781 1.00 0.00 N ATOM 1124 CA ILE A 75 -5.431 -8.155 -5.183 1.00 0.00 C ATOM 1125 C ILE A 75 -4.334 -8.992 -4.534 1.00 0.00 C ATOM 1126 O ILE A 75 -4.420 -9.317 -3.352 1.00 0.00 O ATOM 1127 CB ILE A 75 -5.321 -6.685 -4.748 1.00 0.00 C ATOM 1128 CG1 ILE A 75 -6.502 -5.867 -5.298 1.00 0.00 C ATOM 1129 CG2 ILE A 75 -3.997 -6.084 -5.227 1.00 0.00 C ATOM 1130 CD1 ILE A 75 -6.519 -4.432 -4.777 1.00 0.00 C ATOM 0 H ILE A 75 -6.713 -9.057 -3.820 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.333 -8.179 -6.268 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.350 -6.648 -3.659 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.453 -5.853 -6.387 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.436 -6.359 -5.027 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.935 -5.043 -4.911 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.167 -6.644 -4.797 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.946 -6.137 -6.315 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.373 -3.902 -5.198 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.597 -4.441 -3.690 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.599 -3.927 -5.071 1.00 0.00 H new ATOM 1142 N ALA A 76 -3.299 -9.341 -5.304 1.00 0.00 N ATOM 1143 CA ALA A 76 -2.165 -10.123 -4.832 1.00 0.00 C ATOM 1144 C ALA A 76 -2.549 -11.444 -4.149 1.00 0.00 C ATOM 1145 O ALA A 76 -1.720 -12.034 -3.454 1.00 0.00 O ATOM 1146 CB ALA A 76 -1.291 -9.252 -3.936 1.00 0.00 C ATOM 0 H ALA A 76 -3.230 -9.081 -6.288 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.599 -10.431 -5.711 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.441 -9.834 -3.580 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.931 -8.393 -4.503 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.875 -8.906 -3.084 1.00 0.00 H new ATOM 1152 N GLY A 77 -3.785 -11.918 -4.335 1.00 0.00 N ATOM 1153 CA GLY A 77 -4.216 -13.209 -3.809 1.00 0.00 C ATOM 1154 C GLY A 77 -5.081 -13.104 -2.555 1.00 0.00 C ATOM 1155 O GLY A 77 -5.493 -14.130 -2.016 1.00 0.00 O ATOM 0 H GLY A 77 -4.508 -11.418 -4.852 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.774 -13.738 -4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.336 -13.811 -3.583 1.00 0.00 H new ATOM 1159 N GLN A 78 -5.368 -11.885 -2.089 1.00 0.00 N ATOM 1160 CA GLN A 78 -6.261 -11.667 -0.955 1.00 0.00 C ATOM 1161 C GLN A 78 -7.298 -10.602 -1.295 1.00 0.00 C ATOM 1162 O GLN A 78 -7.084 -9.774 -2.179 1.00 0.00 O ATOM 1163 CB GLN A 78 -5.477 -11.246 0.296 1.00 0.00 C ATOM 1164 CG GLN A 78 -4.662 -12.396 0.887 1.00 0.00 C ATOM 1165 CD GLN A 78 -3.166 -12.155 0.752 1.00 0.00 C ATOM 1166 OE1 GLN A 78 -2.493 -11.816 1.720 1.00 0.00 O ATOM 1167 NE2 GLN A 78 -2.637 -12.331 -0.454 1.00 0.00 N ATOM 0 H GLN A 78 -4.988 -11.027 -2.488 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.767 -12.609 -0.743 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.809 -10.423 0.043 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.172 -10.872 1.048 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.917 -12.519 1.940 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.927 -13.326 0.384 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.230 -12.613 -1.235 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.638 -12.184 -0.599 1.00 0.00 H new ATOM 1176 N VAL A 79 -8.427 -10.629 -0.589 1.00 0.00 N ATOM 1177 CA VAL A 79 -9.475 -9.631 -0.754 1.00 0.00 C ATOM 1178 C VAL A 79 -9.303 -8.541 0.292 1.00 0.00 C ATOM 1179 O VAL A 79 -8.847 -8.802 1.404 1.00 0.00 O ATOM 1180 CB VAL A 79 -10.862 -10.280 -0.674 1.00 0.00 C ATOM 1181 CG1 VAL A 79 -11.986 -9.244 -0.766 1.00 0.00 C ATOM 1182 CG2 VAL A 79 -11.037 -11.272 -1.822 1.00 0.00 C ATOM 0 H VAL A 79 -8.638 -11.341 0.110 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.392 -9.178 -1.742 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.925 -10.783 0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.951 -9.748 -0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.895 -8.534 0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -11.914 -8.712 -1.715 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -12.024 -11.730 -1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.939 -10.749 -2.773 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.273 -12.046 -1.753 1.00 0.00 H new ATOM 1192 N LEU A 80 -9.675 -7.316 -0.078 1.00 0.00 N ATOM 1193 CA LEU A 80 -9.541 -6.154 0.776 1.00 0.00 C ATOM 1194 C LEU A 80 -10.916 -5.553 1.040 1.00 0.00 C ATOM 1195 O LEU A 80 -11.775 -5.510 0.157 1.00 0.00 O ATOM 1196 CB LEU A 80 -8.537 -5.124 0.228 1.00 0.00 C ATOM 1197 CG LEU A 80 -8.264 -5.107 -1.283 1.00 0.00 C ATOM 1198 CD1 LEU A 80 -7.548 -6.362 -1.780 1.00 0.00 C ATOM 1199 CD2 LEU A 80 -9.543 -4.875 -2.078 1.00 0.00 C ATOM 0 H LEU A 80 -10.081 -7.109 -0.990 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.119 -6.476 1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.888 -4.133 0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.586 -5.284 0.736 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.588 -4.269 -1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.385 -6.286 -2.855 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.588 -6.458 -1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.160 -7.239 -1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.313 -4.869 -3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.254 -5.673 -1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.978 -3.917 -1.795 1.00 0.00 H new ATOM 1211 N ASP A 81 -11.110 -5.089 2.275 1.00 0.00 N ATOM 1212 CA ASP A 81 -12.365 -4.518 2.722 1.00 0.00 C ATOM 1213 C ASP A 81 -12.245 -3.001 2.648 1.00 0.00 C ATOM 1214 O ASP A 81 -11.564 -2.387 3.469 1.00 0.00 O ATOM 1215 CB ASP A 81 -12.645 -5.009 4.144 1.00 0.00 C ATOM 1216 CG ASP A 81 -13.935 -4.423 4.707 1.00 0.00 C ATOM 1217 OD1 ASP A 81 -14.958 -4.473 3.988 1.00 0.00 O ATOM 1218 OD2 ASP A 81 -13.890 -3.930 5.856 1.00 0.00 O ATOM 0 H ASP A 81 -10.388 -5.103 2.995 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.201 -4.826 2.094 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.710 -6.097 4.146 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.811 -4.739 4.792 1.00 0.00 H new ATOM 1223 N ILE A 82 -12.903 -2.395 1.660 1.00 0.00 N ATOM 1224 CA ILE A 82 -12.793 -0.968 1.412 1.00 0.00 C ATOM 1225 C ILE A 82 -14.036 -0.252 1.931 1.00 0.00 C ATOM 1226 O ILE A 82 -15.154 -0.746 1.784 1.00 0.00 O ATOM 1227 CB ILE A 82 -12.558 -0.731 -0.082 1.00 0.00 C ATOM 1228 CG1 ILE A 82 -11.274 -1.443 -0.524 1.00 0.00 C ATOM 1229 CG2 ILE A 82 -12.458 0.764 -0.381 1.00 0.00 C ATOM 1230 CD1 ILE A 82 -11.199 -1.540 -2.043 1.00 0.00 C ATOM 0 H ILE A 82 -13.524 -2.882 1.014 1.00 0.00 H new ATOM 0 HA ILE A 82 -11.940 -0.554 1.950 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.404 -1.137 -0.637 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -10.406 -0.902 -0.147 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.240 -2.442 -0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.291 0.911 -1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -13.385 1.257 -0.087 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -11.627 1.192 0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -10.279 -2.049 -2.330 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.056 -2.102 -2.414 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.209 -0.538 -2.472 1.00 0.00 H new ATOM 1242 N ASN A 83 -13.839 0.917 2.541 1.00 0.00 N ATOM 1243 CA ASN A 83 -14.921 1.681 3.137 1.00 0.00 C ATOM 1244 C ASN A 83 -14.531 3.155 3.203 1.00 0.00 C ATOM 1245 O ASN A 83 -13.358 3.496 3.046 1.00 0.00 O ATOM 1246 CB ASN A 83 -15.182 1.125 4.539 1.00 0.00 C ATOM 1247 CG ASN A 83 -16.524 1.578 5.091 1.00 0.00 C ATOM 1248 OD1 ASN A 83 -17.545 0.942 4.843 1.00 0.00 O ATOM 1249 ND2 ASN A 83 -16.546 2.676 5.841 1.00 0.00 N ATOM 0 H ASN A 83 -12.923 1.356 2.633 1.00 0.00 H new ATOM 0 HA ASN A 83 -15.827 1.597 2.538 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -15.152 0.036 4.508 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -14.386 1.447 5.211 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -17.428 3.012 6.228 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.681 3.183 6.029 1.00 0.00 H new ATOM 1256 N LEU A 84 -15.503 4.040 3.438 1.00 0.00 N ATOM 1257 CA LEU A 84 -15.186 5.438 3.668 1.00 0.00 C ATOM 1258 C LEU A 84 -14.401 5.542 4.976 1.00 0.00 C ATOM 1259 O LEU A 84 -14.482 4.647 5.819 1.00 0.00 O ATOM 1260 CB LEU A 84 -16.467 6.274 3.744 1.00 0.00 C ATOM 1261 CG LEU A 84 -16.419 7.448 2.757 1.00 0.00 C ATOM 1262 CD1 LEU A 84 -16.916 7.017 1.382 1.00 0.00 C ATOM 1263 CD2 LEU A 84 -17.299 8.571 3.287 1.00 0.00 C ATOM 0 H LEU A 84 -16.497 3.812 3.472 1.00 0.00 H new ATOM 0 HA LEU A 84 -14.588 5.824 2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -17.329 5.645 3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -16.599 6.652 4.758 1.00 0.00 H new ATOM 0 HG LEU A 84 -15.389 7.789 2.659 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -16.874 7.864 0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -16.286 6.213 1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -17.945 6.665 1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -17.273 9.412 2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -18.324 8.214 3.386 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.931 8.893 4.261 1.00 0.00 H new ATOM 1275 N ALA A 85 -13.645 6.625 5.156 1.00 0.00 N ATOM 1276 CA ALA A 85 -12.779 6.765 6.318 1.00 0.00 C ATOM 1277 C ALA A 85 -13.516 7.296 7.549 1.00 0.00 C ATOM 1278 O ALA A 85 -12.908 7.420 8.611 1.00 0.00 O ATOM 1279 CB ALA A 85 -11.619 7.678 5.948 1.00 0.00 C ATOM 0 H ALA A 85 -13.617 7.415 4.511 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.414 5.776 6.593 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.959 7.794 6.808 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.062 7.241 5.119 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -12.004 8.654 5.652 1.00 0.00 H new ATOM 1285 N ALA A 86 -14.809 7.608 7.417 1.00 0.00 N ATOM 1286 CA ALA A 86 -15.605 8.139 8.511 1.00 0.00 C ATOM 1287 C ALA A 86 -16.928 7.390 8.658 1.00 0.00 C ATOM 1288 O ALA A 86 -17.829 7.860 9.351 1.00 0.00 O ATOM 1289 CB ALA A 86 -15.844 9.628 8.281 1.00 0.00 C ATOM 0 H ALA A 86 -15.327 7.497 6.545 1.00 0.00 H new ATOM 0 HA ALA A 86 -15.057 8.000 9.443 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -16.441 10.031 9.099 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -14.887 10.148 8.239 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -16.375 9.770 7.340 1.00 0.00 H new