USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 503 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot -160:sc= -1.94 USER MOD Single : A 11 LYS NZ :NH3+ 176:sc= -0.419 (180deg=-0.483) USER MOD Single : A 16 TYR OH : rot 124:sc= 1.09 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc=0.000419 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.0297 X(o=-0.03,f=-0.13) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot 180:sc= -0.14 USER MOD Single : A 50 ASN : amide:sc= -0.992 K(o=-0.99,f=-2!) USER MOD Single : A 59 ASN : amide:sc= -2.51 K(o=-2.5,f=-4.2!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0.00563 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.702 -16.632 13.152 1.00 0.00 N ATOM 2 CA GLY A 1 -0.716 -16.359 13.295 1.00 0.00 C ATOM 3 C GLY A 1 -1.458 -16.433 11.975 1.00 0.00 C ATOM 4 O GLY A 1 -1.826 -17.516 11.522 1.00 0.00 O ATOM 0 H1 GLY A 1 1.163 -16.569 14.082 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.834 -17.588 12.764 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.126 -15.935 12.507 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.152 -17.074 13.993 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.850 -15.368 13.728 1.00 0.00 H new ATOM 8 N SER A 2 -1.678 -15.277 11.357 1.00 0.00 N ATOM 9 CA SER A 2 -2.385 -15.214 10.083 1.00 0.00 C ATOM 10 C SER A 2 -1.476 -15.642 8.935 1.00 0.00 C ATOM 11 O SER A 2 -0.293 -15.917 9.135 1.00 0.00 O ATOM 12 CB SER A 2 -2.908 -13.798 9.835 1.00 0.00 C ATOM 13 OG SER A 2 -1.841 -12.893 9.611 1.00 0.00 O ATOM 0 H SER A 2 -1.377 -14.372 11.718 1.00 0.00 H new ATOM 0 HA SER A 2 -3.229 -15.902 10.130 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.575 -13.799 8.973 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.495 -13.468 10.692 1.00 0.00 H new ATOM 0 HG SER A 2 -2.201 -11.995 9.453 1.00 0.00 H new ATOM 19 N SER A 3 -2.037 -15.694 7.731 1.00 0.00 N ATOM 20 CA SER A 3 -1.279 -16.091 6.551 1.00 0.00 C ATOM 21 C SER A 3 -0.887 -14.872 5.721 1.00 0.00 C ATOM 22 O SER A 3 -1.729 -14.043 5.380 1.00 0.00 O ATOM 23 CB SER A 3 -2.097 -17.062 5.697 1.00 0.00 C ATOM 24 OG SER A 3 -1.356 -17.499 4.570 1.00 0.00 O ATOM 0 H SER A 3 -3.014 -15.466 7.547 1.00 0.00 H new ATOM 0 HA SER A 3 -0.369 -16.589 6.885 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.391 -17.922 6.299 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.015 -16.576 5.366 1.00 0.00 H new ATOM 0 HG SER A 3 -1.900 -18.120 4.042 1.00 0.00 H new ATOM 30 N GLY A 4 0.400 -14.771 5.401 1.00 0.00 N ATOM 31 CA GLY A 4 0.882 -13.651 4.614 1.00 0.00 C ATOM 32 C GLY A 4 1.309 -14.063 3.219 1.00 0.00 C ATOM 33 O GLY A 4 2.445 -13.819 2.813 1.00 0.00 O ATOM 0 H GLY A 4 1.117 -15.444 5.673 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.098 -12.897 4.543 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.725 -13.187 5.126 1.00 0.00 H new ATOM 37 N SER A 5 0.397 -14.692 2.485 1.00 0.00 N ATOM 38 CA SER A 5 0.687 -15.144 1.129 1.00 0.00 C ATOM 39 C SER A 5 1.150 -13.982 0.256 1.00 0.00 C ATOM 40 O SER A 5 2.266 -13.987 -0.263 1.00 0.00 O ATOM 41 CB SER A 5 -0.549 -15.800 0.512 1.00 0.00 C ATOM 42 OG SER A 5 -0.189 -16.687 -0.533 1.00 0.00 O ATOM 0 H SER A 5 -0.548 -14.900 2.806 1.00 0.00 H new ATOM 0 HA SER A 5 1.491 -15.878 1.182 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.098 -16.343 1.281 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.218 -15.031 0.126 1.00 0.00 H new ATOM 0 HG SER A 5 -0.997 -17.094 -0.909 1.00 0.00 H new ATOM 48 N SER A 6 0.283 -12.987 0.098 1.00 0.00 N ATOM 49 CA SER A 6 0.599 -11.819 -0.715 1.00 0.00 C ATOM 50 C SER A 6 1.002 -10.638 0.164 1.00 0.00 C ATOM 51 O SER A 6 0.228 -10.183 1.005 1.00 0.00 O ATOM 52 CB SER A 6 -0.601 -11.436 -1.584 1.00 0.00 C ATOM 53 OG SER A 6 -1.038 -12.536 -2.363 1.00 0.00 O ATOM 0 H SER A 6 -0.644 -12.967 0.523 1.00 0.00 H new ATOM 0 HA SER A 6 1.440 -12.073 -1.360 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.417 -11.088 -0.950 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.330 -10.607 -2.239 1.00 0.00 H new ATOM 0 HG SER A 6 -1.806 -12.266 -2.908 1.00 0.00 H new ATOM 59 N GLY A 7 2.221 -10.147 -0.039 1.00 0.00 N ATOM 60 CA GLY A 7 2.707 -9.024 0.741 1.00 0.00 C ATOM 61 C GLY A 7 3.774 -8.231 0.014 1.00 0.00 C ATOM 62 O GLY A 7 4.950 -8.282 0.375 1.00 0.00 O ATOM 0 H GLY A 7 2.880 -10.507 -0.729 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.872 -8.366 0.984 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.111 -9.389 1.685 1.00 0.00 H new ATOM 66 N ASP A 8 3.365 -7.497 -1.015 1.00 0.00 N ATOM 67 CA ASP A 8 4.296 -6.690 -1.797 1.00 0.00 C ATOM 68 C ASP A 8 4.851 -5.540 -0.962 1.00 0.00 C ATOM 69 O ASP A 8 4.101 -4.689 -0.483 1.00 0.00 O ATOM 70 CB ASP A 8 3.604 -6.143 -3.046 1.00 0.00 C ATOM 71 CG ASP A 8 3.717 -7.083 -4.230 1.00 0.00 C ATOM 72 OD1 ASP A 8 4.649 -7.915 -4.240 1.00 0.00 O ATOM 73 OD2 ASP A 8 2.873 -6.988 -5.145 1.00 0.00 O ATOM 0 H ASP A 8 2.395 -7.444 -1.327 1.00 0.00 H new ATOM 0 HA ASP A 8 5.126 -7.328 -2.101 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.551 -5.966 -2.826 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.042 -5.180 -3.308 1.00 0.00 H new ATOM 78 N TYR A 9 6.168 -5.522 -0.792 1.00 0.00 N ATOM 79 CA TYR A 9 6.824 -4.479 -0.012 1.00 0.00 C ATOM 80 C TYR A 9 7.153 -3.272 -0.885 1.00 0.00 C ATOM 81 O TYR A 9 7.511 -3.417 -2.055 1.00 0.00 O ATOM 82 CB TYR A 9 8.101 -5.021 0.632 1.00 0.00 C ATOM 83 CG TYR A 9 7.854 -6.138 1.620 1.00 0.00 C ATOM 84 CD1 TYR A 9 7.268 -5.884 2.854 1.00 0.00 C ATOM 85 CD2 TYR A 9 8.208 -7.448 1.320 1.00 0.00 C ATOM 86 CE1 TYR A 9 7.041 -6.901 3.760 1.00 0.00 C ATOM 87 CE2 TYR A 9 7.983 -8.472 2.220 1.00 0.00 C ATOM 88 CZ TYR A 9 7.400 -8.194 3.438 1.00 0.00 C ATOM 89 OH TYR A 9 7.176 -9.211 4.338 1.00 0.00 O ATOM 0 H TYR A 9 6.803 -6.218 -1.184 1.00 0.00 H new ATOM 0 HA TYR A 9 6.137 -4.161 0.772 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.768 -5.381 -0.151 1.00 0.00 H new ATOM 0 HB3 TYR A 9 8.616 -4.206 1.140 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.985 -4.873 3.109 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.667 -7.669 0.368 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.585 -6.686 4.715 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.262 -9.485 1.971 1.00 0.00 H new ATOM 0 HH TYR A 9 7.485 -10.059 3.957 1.00 0.00 H new ATOM 99 N CYS A 10 7.031 -2.082 -0.308 1.00 0.00 N ATOM 100 CA CYS A 10 7.315 -0.848 -1.033 1.00 0.00 C ATOM 101 C CYS A 10 8.020 0.161 -0.132 1.00 0.00 C ATOM 102 O CYS A 10 7.489 0.563 0.903 1.00 0.00 O ATOM 103 CB CYS A 10 6.022 -0.244 -1.581 1.00 0.00 C ATOM 104 SG CYS A 10 5.034 -1.390 -2.571 1.00 0.00 S ATOM 0 H CYS A 10 6.738 -1.945 0.659 1.00 0.00 H new ATOM 0 HA CYS A 10 7.976 -1.089 -1.866 1.00 0.00 H new ATOM 0 HB2 CYS A 10 5.418 0.113 -0.747 1.00 0.00 H new ATOM 0 HB3 CYS A 10 6.269 0.626 -2.190 1.00 0.00 H new ATOM 0 HG CYS A 10 4.213 -0.718 -3.323 1.00 0.00 H new ATOM 110 N LYS A 11 9.221 0.565 -0.532 1.00 0.00 N ATOM 111 CA LYS A 11 10.001 1.526 0.238 1.00 0.00 C ATOM 112 C LYS A 11 9.597 2.956 -0.108 1.00 0.00 C ATOM 113 O LYS A 11 9.522 3.324 -1.280 1.00 0.00 O ATOM 114 CB LYS A 11 11.496 1.330 -0.025 1.00 0.00 C ATOM 115 CG LYS A 11 12.383 2.261 0.782 1.00 0.00 C ATOM 116 CD LYS A 11 12.740 1.660 2.131 1.00 0.00 C ATOM 117 CE LYS A 11 13.688 2.560 2.909 1.00 0.00 C ATOM 118 NZ LYS A 11 13.977 2.020 4.267 1.00 0.00 N ATOM 0 H LYS A 11 9.675 0.241 -1.386 1.00 0.00 H new ATOM 0 HA LYS A 11 9.799 1.355 1.295 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.764 0.298 0.203 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.693 1.484 -1.086 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.295 2.471 0.223 1.00 0.00 H new ATOM 0 HG3 LYS A 11 11.873 3.213 0.930 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.831 1.499 2.711 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.202 0.683 1.985 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.621 2.669 2.356 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.252 3.555 2.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 14.678 2.625 4.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.101 2.003 4.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.354 1.054 4.184 1.00 0.00 H new ATOM 132 N VAL A 12 9.338 3.758 0.920 1.00 0.00 N ATOM 133 CA VAL A 12 8.944 5.148 0.725 1.00 0.00 C ATOM 134 C VAL A 12 10.163 6.043 0.528 1.00 0.00 C ATOM 135 O VAL A 12 10.938 6.267 1.459 1.00 0.00 O ATOM 136 CB VAL A 12 8.124 5.672 1.919 1.00 0.00 C ATOM 137 CG1 VAL A 12 7.716 7.120 1.692 1.00 0.00 C ATOM 138 CG2 VAL A 12 6.903 4.796 2.151 1.00 0.00 C ATOM 0 H VAL A 12 9.394 3.469 1.897 1.00 0.00 H new ATOM 0 HA VAL A 12 8.326 5.178 -0.172 1.00 0.00 H new ATOM 0 HB VAL A 12 8.748 5.631 2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.138 7.473 2.546 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.608 7.736 1.578 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.110 7.190 0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.335 5.180 2.998 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.275 4.803 1.260 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.222 3.775 2.361 1.00 0.00 H new ATOM 148 N ILE A 13 10.327 6.551 -0.688 1.00 0.00 N ATOM 149 CA ILE A 13 11.451 7.423 -1.006 1.00 0.00 C ATOM 150 C ILE A 13 11.056 8.892 -0.897 1.00 0.00 C ATOM 151 O ILE A 13 11.892 9.751 -0.615 1.00 0.00 O ATOM 152 CB ILE A 13 11.990 7.152 -2.423 1.00 0.00 C ATOM 153 CG1 ILE A 13 10.874 7.312 -3.457 1.00 0.00 C ATOM 154 CG2 ILE A 13 12.596 5.758 -2.502 1.00 0.00 C ATOM 155 CD1 ILE A 13 10.114 6.033 -3.729 1.00 0.00 C ATOM 0 H ILE A 13 9.696 6.374 -1.470 1.00 0.00 H new ATOM 0 HA ILE A 13 12.234 7.205 -0.280 1.00 0.00 H new ATOM 0 HB ILE A 13 12.771 7.880 -2.643 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.175 8.073 -3.111 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.304 7.675 -4.390 1.00 0.00 H new ATOM 0 HG21 ILE A 13 12.972 5.581 -3.510 1.00 0.00 H new ATOM 0 HG22 ILE A 13 13.416 5.677 -1.789 1.00 0.00 H new ATOM 0 HG23 ILE A 13 11.834 5.016 -2.264 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.339 6.221 -4.471 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.801 5.275 -4.106 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.654 5.680 -2.806 1.00 0.00 H new ATOM 167 N PHE A 14 9.777 9.173 -1.120 1.00 0.00 N ATOM 168 CA PHE A 14 9.270 10.538 -1.046 1.00 0.00 C ATOM 169 C PHE A 14 8.298 10.694 0.120 1.00 0.00 C ATOM 170 O PHE A 14 7.350 9.926 0.278 1.00 0.00 O ATOM 171 CB PHE A 14 8.578 10.919 -2.356 1.00 0.00 C ATOM 172 CG PHE A 14 9.533 11.161 -3.490 1.00 0.00 C ATOM 173 CD1 PHE A 14 10.538 12.109 -3.377 1.00 0.00 C ATOM 174 CD2 PHE A 14 9.425 10.442 -4.669 1.00 0.00 C ATOM 175 CE1 PHE A 14 11.418 12.333 -4.418 1.00 0.00 C ATOM 176 CE2 PHE A 14 10.303 10.662 -5.714 1.00 0.00 C ATOM 177 CZ PHE A 14 11.300 11.610 -5.589 1.00 0.00 C ATOM 0 H PHE A 14 9.072 8.474 -1.354 1.00 0.00 H new ATOM 0 HA PHE A 14 10.116 11.205 -0.883 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.887 10.124 -2.637 1.00 0.00 H new ATOM 0 HB3 PHE A 14 7.982 11.818 -2.195 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.634 12.679 -2.465 1.00 0.00 H new ATOM 0 HD2 PHE A 14 8.646 9.701 -4.773 1.00 0.00 H new ATOM 0 HE1 PHE A 14 12.198 13.073 -4.316 1.00 0.00 H new ATOM 0 HE2 PHE A 14 10.210 10.093 -6.627 1.00 0.00 H new ATOM 0 HZ PHE A 14 11.986 11.785 -6.405 1.00 0.00 H new ATOM 187 N PRO A 15 8.539 11.714 0.957 1.00 0.00 N ATOM 188 CA PRO A 15 7.697 11.997 2.124 1.00 0.00 C ATOM 189 C PRO A 15 6.318 12.516 1.731 1.00 0.00 C ATOM 190 O PRO A 15 6.192 13.366 0.849 1.00 0.00 O ATOM 191 CB PRO A 15 8.481 13.076 2.874 1.00 0.00 C ATOM 192 CG PRO A 15 9.306 13.741 1.828 1.00 0.00 C ATOM 193 CD PRO A 15 9.651 12.671 0.830 1.00 0.00 C ATOM 0 HA PRO A 15 7.506 11.102 2.716 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.812 13.785 3.361 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.106 12.641 3.654 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.755 14.553 1.354 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.207 14.177 2.260 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.722 13.072 -0.181 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.610 12.205 1.056 1.00 0.00 H new ATOM 201 N TYR A 16 5.287 12.000 2.390 1.00 0.00 N ATOM 202 CA TYR A 16 3.916 12.411 2.108 1.00 0.00 C ATOM 203 C TYR A 16 3.034 12.250 3.343 1.00 0.00 C ATOM 204 O TYR A 16 2.789 11.136 3.803 1.00 0.00 O ATOM 205 CB TYR A 16 3.344 11.592 0.950 1.00 0.00 C ATOM 206 CG TYR A 16 1.914 11.944 0.607 1.00 0.00 C ATOM 207 CD1 TYR A 16 1.624 12.997 -0.252 1.00 0.00 C ATOM 208 CD2 TYR A 16 0.853 11.225 1.143 1.00 0.00 C ATOM 209 CE1 TYR A 16 0.319 13.323 -0.567 1.00 0.00 C ATOM 210 CE2 TYR A 16 -0.454 11.543 0.833 1.00 0.00 C ATOM 211 CZ TYR A 16 -0.716 12.593 -0.023 1.00 0.00 C ATOM 212 OH TYR A 16 -2.018 12.913 -0.334 1.00 0.00 O ATOM 0 H TYR A 16 5.374 11.296 3.123 1.00 0.00 H new ATOM 0 HA TYR A 16 3.930 13.464 1.828 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.967 11.741 0.068 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.398 10.533 1.204 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.433 13.570 -0.681 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.054 10.403 1.814 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.111 14.145 -1.236 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.267 10.973 1.258 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.467 12.127 -0.710 1.00 0.00 H new ATOM 222 N GLU A 17 2.561 13.373 3.874 1.00 0.00 N ATOM 223 CA GLU A 17 1.706 13.358 5.055 1.00 0.00 C ATOM 224 C GLU A 17 0.233 13.314 4.661 1.00 0.00 C ATOM 225 O GLU A 17 -0.234 14.136 3.872 1.00 0.00 O ATOM 226 CB GLU A 17 1.977 14.588 5.924 1.00 0.00 C ATOM 227 CG GLU A 17 1.449 15.882 5.327 1.00 0.00 C ATOM 228 CD GLU A 17 2.176 17.105 5.852 1.00 0.00 C ATOM 229 OE1 GLU A 17 3.422 17.068 5.925 1.00 0.00 O ATOM 230 OE2 GLU A 17 1.500 18.099 6.189 1.00 0.00 O ATOM 0 H GLU A 17 2.755 14.304 3.505 1.00 0.00 H new ATOM 0 HA GLU A 17 1.937 12.460 5.627 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.523 14.438 6.904 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.051 14.682 6.081 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.546 15.844 4.242 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.386 15.973 5.549 1.00 0.00 H new ATOM 237 N ALA A 18 -0.494 12.349 5.215 1.00 0.00 N ATOM 238 CA ALA A 18 -1.914 12.199 4.922 1.00 0.00 C ATOM 239 C ALA A 18 -2.701 13.424 5.375 1.00 0.00 C ATOM 240 O ALA A 18 -2.551 13.885 6.506 1.00 0.00 O ATOM 241 CB ALA A 18 -2.459 10.944 5.587 1.00 0.00 C ATOM 0 H ALA A 18 -0.123 11.660 5.869 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.029 12.105 3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.520 10.844 5.360 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.924 10.072 5.212 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.324 11.016 6.666 1.00 0.00 H new ATOM 247 N GLN A 19 -3.537 13.947 4.484 1.00 0.00 N ATOM 248 CA GLN A 19 -4.346 15.120 4.793 1.00 0.00 C ATOM 249 C GLN A 19 -5.556 14.739 5.639 1.00 0.00 C ATOM 250 O GLN A 19 -5.962 15.485 6.530 1.00 0.00 O ATOM 251 CB GLN A 19 -4.805 15.803 3.504 1.00 0.00 C ATOM 252 CG GLN A 19 -5.557 14.879 2.560 1.00 0.00 C ATOM 253 CD GLN A 19 -6.384 15.635 1.539 1.00 0.00 C ATOM 254 OE1 GLN A 19 -7.592 15.425 1.422 1.00 0.00 O ATOM 255 NE2 GLN A 19 -5.737 16.522 0.792 1.00 0.00 N ATOM 0 H GLN A 19 -3.672 13.577 3.543 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.730 15.815 5.364 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -5.445 16.648 3.758 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.935 16.207 2.987 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.844 14.237 2.042 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.210 14.227 3.140 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.735 16.664 0.922 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.242 17.061 0.088 1.00 0.00 H new ATOM 264 N ASN A 20 -6.129 13.574 5.354 1.00 0.00 N ATOM 265 CA ASN A 20 -7.294 13.095 6.088 1.00 0.00 C ATOM 266 C ASN A 20 -7.070 11.674 6.596 1.00 0.00 C ATOM 267 O ASN A 20 -6.343 10.892 5.984 1.00 0.00 O ATOM 268 CB ASN A 20 -8.538 13.140 5.199 1.00 0.00 C ATOM 269 CG ASN A 20 -9.148 14.527 5.128 1.00 0.00 C ATOM 270 OD1 ASN A 20 -8.431 15.458 4.508 1.00 0.00 O flip ATOM 271 ND2 ASN A 20 -10.250 14.758 5.625 1.00 0.00 N flip ATOM 0 H ASN A 20 -5.805 12.944 4.620 1.00 0.00 H new ATOM 0 HA ASN A 20 -7.445 13.750 6.946 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.275 12.810 4.194 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -9.280 12.439 5.581 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -10.765 14.012 6.092 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -10.648 15.696 5.570 1.00 0.00 H new ATOM 278 N ASP A 21 -7.700 11.347 7.719 1.00 0.00 N ATOM 279 CA ASP A 21 -7.572 10.019 8.309 1.00 0.00 C ATOM 280 C ASP A 21 -7.433 8.954 7.226 1.00 0.00 C ATOM 281 O ASP A 21 -6.573 8.077 7.311 1.00 0.00 O ATOM 282 CB ASP A 21 -8.782 9.712 9.193 1.00 0.00 C ATOM 283 CG ASP A 21 -8.666 10.333 10.571 1.00 0.00 C ATOM 284 OD1 ASP A 21 -7.572 10.250 11.168 1.00 0.00 O ATOM 285 OD2 ASP A 21 -9.668 10.901 11.052 1.00 0.00 O ATOM 0 H ASP A 21 -8.304 11.983 8.239 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.671 10.006 8.923 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.686 10.080 8.707 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.891 8.632 9.293 1.00 0.00 H new ATOM 290 N ASP A 22 -8.285 9.036 6.210 1.00 0.00 N ATOM 291 CA ASP A 22 -8.258 8.080 5.110 1.00 0.00 C ATOM 292 C ASP A 22 -6.831 7.861 4.615 1.00 0.00 C ATOM 293 O ASP A 22 -6.325 6.739 4.628 1.00 0.00 O ATOM 294 CB ASP A 22 -9.141 8.567 3.960 1.00 0.00 C ATOM 295 CG ASP A 22 -10.616 8.349 4.231 1.00 0.00 C ATOM 296 OD1 ASP A 22 -11.245 9.238 4.844 1.00 0.00 O ATOM 297 OD2 ASP A 22 -11.143 7.291 3.830 1.00 0.00 O ATOM 0 H ASP A 22 -9.003 9.755 6.126 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.646 7.130 5.478 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.959 9.628 3.790 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.862 8.045 3.045 1.00 0.00 H new ATOM 302 N GLU A 23 -6.189 8.941 4.180 1.00 0.00 N ATOM 303 CA GLU A 23 -4.822 8.866 3.679 1.00 0.00 C ATOM 304 C GLU A 23 -3.865 8.407 4.776 1.00 0.00 C ATOM 305 O GLU A 23 -4.129 8.595 5.964 1.00 0.00 O ATOM 306 CB GLU A 23 -4.378 10.226 3.136 1.00 0.00 C ATOM 307 CG GLU A 23 -4.850 10.498 1.718 1.00 0.00 C ATOM 308 CD GLU A 23 -3.860 10.021 0.673 1.00 0.00 C ATOM 309 OE1 GLU A 23 -3.604 8.800 0.610 1.00 0.00 O ATOM 310 OE2 GLU A 23 -3.341 10.869 -0.083 1.00 0.00 O ATOM 0 H GLU A 23 -6.593 9.877 4.165 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.798 8.135 2.871 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.755 11.010 3.792 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.290 10.282 3.165 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.809 10.005 1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.017 11.568 1.593 1.00 0.00 H new ATOM 317 N LEU A 24 -2.754 7.804 4.369 1.00 0.00 N ATOM 318 CA LEU A 24 -1.757 7.317 5.316 1.00 0.00 C ATOM 319 C LEU A 24 -0.503 8.184 5.281 1.00 0.00 C ATOM 320 O LEU A 24 0.073 8.420 4.218 1.00 0.00 O ATOM 321 CB LEU A 24 -1.395 5.864 5.004 1.00 0.00 C ATOM 322 CG LEU A 24 -0.189 5.296 5.754 1.00 0.00 C ATOM 323 CD1 LEU A 24 -0.616 4.729 7.098 1.00 0.00 C ATOM 324 CD2 LEU A 24 0.505 4.230 4.919 1.00 0.00 C ATOM 0 H LEU A 24 -2.521 7.640 3.390 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.186 7.371 6.317 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.261 5.240 5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.205 5.780 3.934 1.00 0.00 H new ATOM 0 HG LEU A 24 0.518 6.106 5.933 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.255 4.329 7.618 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.067 5.519 7.699 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.343 3.932 6.942 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.361 3.837 5.468 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.194 3.420 4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.846 4.668 3.981 1.00 0.00 H new ATOM 336 N THR A 25 -0.082 8.656 6.450 1.00 0.00 N ATOM 337 CA THR A 25 1.104 9.497 6.554 1.00 0.00 C ATOM 338 C THR A 25 2.377 8.667 6.437 1.00 0.00 C ATOM 339 O THR A 25 2.752 7.955 7.369 1.00 0.00 O ATOM 340 CB THR A 25 1.129 10.271 7.885 1.00 0.00 C ATOM 341 OG1 THR A 25 -0.146 10.878 8.123 1.00 0.00 O ATOM 342 CG2 THR A 25 2.211 11.341 7.867 1.00 0.00 C ATOM 0 H THR A 25 -0.546 8.470 7.339 1.00 0.00 H new ATOM 0 HA THR A 25 1.061 10.209 5.730 1.00 0.00 H new ATOM 0 HB THR A 25 1.350 9.566 8.687 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.122 11.367 8.972 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.210 11.875 8.817 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.183 10.873 7.715 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.015 12.043 7.056 1.00 0.00 H new ATOM 350 N ILE A 26 3.038 8.764 5.288 1.00 0.00 N ATOM 351 CA ILE A 26 4.271 8.023 5.052 1.00 0.00 C ATOM 352 C ILE A 26 5.484 8.946 5.095 1.00 0.00 C ATOM 353 O ILE A 26 5.434 10.079 4.614 1.00 0.00 O ATOM 354 CB ILE A 26 4.240 7.297 3.694 1.00 0.00 C ATOM 355 CG1 ILE A 26 4.172 8.311 2.550 1.00 0.00 C ATOM 356 CG2 ILE A 26 3.059 6.340 3.632 1.00 0.00 C ATOM 357 CD1 ILE A 26 4.249 7.680 1.178 1.00 0.00 C ATOM 0 H ILE A 26 2.740 9.348 4.507 1.00 0.00 H new ATOM 0 HA ILE A 26 4.352 7.283 5.849 1.00 0.00 H new ATOM 0 HB ILE A 26 5.157 6.718 3.587 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.243 8.875 2.630 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.988 9.025 2.659 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.051 5.834 2.666 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.148 5.601 4.428 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.131 6.898 3.757 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.195 8.458 0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.190 7.139 1.078 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.417 6.987 1.049 1.00 0.00 H new ATOM 369 N LYS A 27 6.575 8.454 5.672 1.00 0.00 N ATOM 370 CA LYS A 27 7.803 9.232 5.775 1.00 0.00 C ATOM 371 C LYS A 27 8.945 8.549 5.029 1.00 0.00 C ATOM 372 O LYS A 27 8.886 7.352 4.749 1.00 0.00 O ATOM 373 CB LYS A 27 8.185 9.428 7.244 1.00 0.00 C ATOM 374 CG LYS A 27 7.084 10.056 8.081 1.00 0.00 C ATOM 375 CD LYS A 27 6.836 11.501 7.682 1.00 0.00 C ATOM 376 CE LYS A 27 7.711 12.457 8.478 1.00 0.00 C ATOM 377 NZ LYS A 27 7.921 13.745 7.761 1.00 0.00 N ATOM 0 H LYS A 27 6.633 7.519 6.076 1.00 0.00 H new ATOM 0 HA LYS A 27 7.626 10.206 5.318 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.450 8.462 7.674 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.074 10.056 7.299 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.165 9.482 7.964 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.356 10.010 9.135 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.035 11.625 6.617 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.786 11.749 7.841 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.249 12.651 9.446 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.676 11.989 8.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.522 14.369 8.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.385 13.563 6.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.003 14.205 7.597 1.00 0.00 H new ATOM 391 N GLU A 28 9.983 9.317 4.712 1.00 0.00 N ATOM 392 CA GLU A 28 11.137 8.784 3.999 1.00 0.00 C ATOM 393 C GLU A 28 11.906 7.794 4.871 1.00 0.00 C ATOM 394 O GLU A 28 12.349 8.131 5.968 1.00 0.00 O ATOM 395 CB GLU A 28 12.063 9.920 3.561 1.00 0.00 C ATOM 396 CG GLU A 28 13.076 9.507 2.505 1.00 0.00 C ATOM 397 CD GLU A 28 14.307 10.393 2.500 1.00 0.00 C ATOM 398 OE1 GLU A 28 15.113 10.294 3.449 1.00 0.00 O ATOM 399 OE2 GLU A 28 14.464 11.183 1.547 1.00 0.00 O ATOM 0 H GLU A 28 10.048 10.310 4.938 1.00 0.00 H new ATOM 0 HA GLU A 28 10.775 8.259 3.115 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.459 10.740 3.172 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.595 10.301 4.433 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.377 8.474 2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.605 9.540 1.523 1.00 0.00 H new ATOM 406 N GLY A 29 12.059 6.571 4.373 1.00 0.00 N ATOM 407 CA GLY A 29 12.773 5.551 5.119 1.00 0.00 C ATOM 408 C GLY A 29 11.843 4.657 5.915 1.00 0.00 C ATOM 409 O GLY A 29 12.136 4.304 7.057 1.00 0.00 O ATOM 0 H GLY A 29 11.702 6.268 3.467 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.355 4.941 4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.480 6.029 5.797 1.00 0.00 H new ATOM 413 N ASP A 30 10.718 4.289 5.311 1.00 0.00 N ATOM 414 CA ASP A 30 9.741 3.431 5.971 1.00 0.00 C ATOM 415 C ASP A 30 9.052 2.517 4.962 1.00 0.00 C ATOM 416 O ASP A 30 8.376 2.986 4.046 1.00 0.00 O ATOM 417 CB ASP A 30 8.700 4.278 6.705 1.00 0.00 C ATOM 418 CG ASP A 30 9.274 4.971 7.925 1.00 0.00 C ATOM 419 OD1 ASP A 30 10.002 5.971 7.751 1.00 0.00 O ATOM 420 OD2 ASP A 30 8.996 4.514 9.053 1.00 0.00 O ATOM 0 H ASP A 30 10.460 4.572 4.365 1.00 0.00 H new ATOM 0 HA ASP A 30 10.269 2.811 6.695 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.297 5.026 6.022 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.868 3.643 7.009 1.00 0.00 H new ATOM 425 N ILE A 31 9.228 1.212 5.137 1.00 0.00 N ATOM 426 CA ILE A 31 8.623 0.233 4.243 1.00 0.00 C ATOM 427 C ILE A 31 7.173 -0.039 4.626 1.00 0.00 C ATOM 428 O ILE A 31 6.886 -0.498 5.731 1.00 0.00 O ATOM 429 CB ILE A 31 9.403 -1.096 4.252 1.00 0.00 C ATOM 430 CG1 ILE A 31 10.800 -0.897 3.661 1.00 0.00 C ATOM 431 CG2 ILE A 31 8.641 -2.162 3.479 1.00 0.00 C ATOM 432 CD1 ILE A 31 11.794 -0.315 4.642 1.00 0.00 C ATOM 0 H ILE A 31 9.785 0.808 5.890 1.00 0.00 H new ATOM 0 HA ILE A 31 8.658 0.658 3.240 1.00 0.00 H new ATOM 0 HB ILE A 31 9.511 -1.430 5.284 1.00 0.00 H new ATOM 0 HG12 ILE A 31 11.174 -1.856 3.303 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.729 -0.239 2.795 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.204 -3.095 3.494 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.666 -2.319 3.941 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.506 -1.837 2.448 1.00 0.00 H new ATOM 0 HD11 ILE A 31 12.762 -0.202 4.155 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.442 0.659 4.982 1.00 0.00 H new ATOM 0 HD13 ILE A 31 11.894 -0.983 5.498 1.00 0.00 H new ATOM 444 N VAL A 32 6.259 0.247 3.703 1.00 0.00 N ATOM 445 CA VAL A 32 4.837 0.031 3.942 1.00 0.00 C ATOM 446 C VAL A 32 4.369 -1.281 3.321 1.00 0.00 C ATOM 447 O VAL A 32 4.608 -1.544 2.142 1.00 0.00 O ATOM 448 CB VAL A 32 3.991 1.186 3.374 1.00 0.00 C ATOM 449 CG1 VAL A 32 2.510 0.924 3.601 1.00 0.00 C ATOM 450 CG2 VAL A 32 4.409 2.508 3.999 1.00 0.00 C ATOM 0 H VAL A 32 6.479 0.629 2.783 1.00 0.00 H new ATOM 0 HA VAL A 32 4.700 -0.012 5.022 1.00 0.00 H new ATOM 0 HB VAL A 32 4.164 1.247 2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.928 1.750 3.193 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.224 -0.002 3.103 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.316 0.836 4.670 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.801 3.314 3.587 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.266 2.461 5.079 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.460 2.698 3.780 1.00 0.00 H new ATOM 460 N THR A 33 3.699 -2.103 4.123 1.00 0.00 N ATOM 461 CA THR A 33 3.197 -3.388 3.654 1.00 0.00 C ATOM 462 C THR A 33 1.931 -3.213 2.823 1.00 0.00 C ATOM 463 O THR A 33 0.871 -2.875 3.351 1.00 0.00 O ATOM 464 CB THR A 33 2.899 -4.338 4.829 1.00 0.00 C ATOM 465 OG1 THR A 33 4.036 -4.417 5.696 1.00 0.00 O ATOM 466 CG2 THR A 33 2.541 -5.728 4.325 1.00 0.00 C ATOM 0 H THR A 33 3.492 -1.901 5.101 1.00 0.00 H new ATOM 0 HA THR A 33 3.979 -3.825 3.033 1.00 0.00 H new ATOM 0 HB THR A 33 2.048 -3.940 5.382 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.838 -5.022 6.441 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.335 -6.381 5.173 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.657 -5.668 3.690 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.374 -6.132 3.750 1.00 0.00 H new ATOM 474 N LEU A 34 2.048 -3.447 1.520 1.00 0.00 N ATOM 475 CA LEU A 34 0.911 -3.316 0.615 1.00 0.00 C ATOM 476 C LEU A 34 -0.228 -4.238 1.035 1.00 0.00 C ATOM 477 O LEU A 34 -0.144 -5.457 0.878 1.00 0.00 O ATOM 478 CB LEU A 34 1.338 -3.634 -0.819 1.00 0.00 C ATOM 479 CG LEU A 34 0.572 -2.905 -1.924 1.00 0.00 C ATOM 480 CD1 LEU A 34 0.769 -1.401 -1.807 1.00 0.00 C ATOM 481 CD2 LEU A 34 1.015 -3.397 -3.294 1.00 0.00 C ATOM 0 H LEU A 34 2.918 -3.728 1.067 1.00 0.00 H new ATOM 0 HA LEU A 34 0.556 -2.287 0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.397 -3.398 -0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.233 -4.707 -0.979 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.490 -3.122 -1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.217 -0.899 -2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.402 -1.060 -0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.829 -1.165 -1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.459 -2.867 -4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.081 -3.210 -3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.822 -4.467 -3.376 1.00 0.00 H new ATOM 493 N ILE A 35 -1.294 -3.649 1.567 1.00 0.00 N ATOM 494 CA ILE A 35 -2.452 -4.418 2.007 1.00 0.00 C ATOM 495 C ILE A 35 -3.284 -4.886 0.818 1.00 0.00 C ATOM 496 O ILE A 35 -3.456 -6.085 0.602 1.00 0.00 O ATOM 497 CB ILE A 35 -3.346 -3.597 2.953 1.00 0.00 C ATOM 498 CG1 ILE A 35 -2.581 -3.235 4.228 1.00 0.00 C ATOM 499 CG2 ILE A 35 -4.612 -4.371 3.291 1.00 0.00 C ATOM 500 CD1 ILE A 35 -2.120 -4.439 5.019 1.00 0.00 C ATOM 0 H ILE A 35 -1.380 -2.642 1.704 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.069 -5.286 2.544 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.631 -2.674 2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.713 -2.631 3.962 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.218 -2.617 4.861 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.234 -3.777 3.961 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.164 -4.583 2.375 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.346 -5.309 3.779 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.585 -4.107 5.909 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.985 -5.032 5.316 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.457 -5.047 4.403 1.00 0.00 H new ATOM 512 N ASN A 36 -3.796 -3.932 0.048 1.00 0.00 N ATOM 513 CA ASN A 36 -4.609 -4.246 -1.121 1.00 0.00 C ATOM 514 C ASN A 36 -4.307 -3.287 -2.268 1.00 0.00 C ATOM 515 O ASN A 36 -4.006 -2.114 -2.048 1.00 0.00 O ATOM 516 CB ASN A 36 -6.096 -4.182 -0.766 1.00 0.00 C ATOM 517 CG ASN A 36 -6.983 -4.648 -1.904 1.00 0.00 C ATOM 518 OD1 ASN A 36 -7.687 -3.850 -2.524 1.00 0.00 O ATOM 519 ND2 ASN A 36 -6.953 -5.945 -2.184 1.00 0.00 N ATOM 0 H ASN A 36 -3.662 -2.934 0.213 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.362 -5.258 -1.443 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.284 -4.799 0.113 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.359 -3.158 -0.500 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.529 -6.317 -2.939 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.354 -6.570 -1.644 1.00 0.00 H new ATOM 526 N LYS A 37 -4.390 -3.794 -3.493 1.00 0.00 N ATOM 527 CA LYS A 37 -4.128 -2.983 -4.677 1.00 0.00 C ATOM 528 C LYS A 37 -5.255 -1.983 -4.911 1.00 0.00 C ATOM 529 O LYS A 37 -6.336 -2.103 -4.334 1.00 0.00 O ATOM 530 CB LYS A 37 -3.962 -3.879 -5.907 1.00 0.00 C ATOM 531 CG LYS A 37 -2.720 -4.751 -5.861 1.00 0.00 C ATOM 532 CD LYS A 37 -2.273 -5.160 -7.254 1.00 0.00 C ATOM 533 CE LYS A 37 -0.792 -5.505 -7.286 1.00 0.00 C ATOM 534 NZ LYS A 37 -0.522 -6.843 -6.690 1.00 0.00 N ATOM 0 H LYS A 37 -4.637 -4.763 -3.693 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.204 -2.429 -4.511 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.840 -4.517 -6.002 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.924 -3.254 -6.799 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.914 -4.212 -5.363 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.922 -5.642 -5.267 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.855 -6.020 -7.586 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.474 -4.349 -7.954 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.437 -5.488 -8.316 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.230 -4.745 -6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.498 -7.042 -6.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.837 -6.852 -5.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.038 -7.571 -7.224 1.00 0.00 H new ATOM 548 N ASP A 38 -4.997 -0.997 -5.763 1.00 0.00 N ATOM 549 CA ASP A 38 -5.991 0.023 -6.076 1.00 0.00 C ATOM 550 C ASP A 38 -6.768 -0.344 -7.337 1.00 0.00 C ATOM 551 O ASP A 38 -6.324 -1.172 -8.132 1.00 0.00 O ATOM 552 CB ASP A 38 -5.317 1.384 -6.257 1.00 0.00 C ATOM 553 CG ASP A 38 -6.313 2.527 -6.268 1.00 0.00 C ATOM 554 OD1 ASP A 38 -6.728 2.963 -5.174 1.00 0.00 O ATOM 555 OD2 ASP A 38 -6.676 2.986 -7.371 1.00 0.00 O ATOM 0 H ASP A 38 -4.108 -0.882 -6.249 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.691 0.080 -5.242 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.598 1.540 -5.452 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.755 1.387 -7.191 1.00 0.00 H new ATOM 560 N CYS A 39 -7.930 0.276 -7.511 1.00 0.00 N ATOM 561 CA CYS A 39 -8.770 0.013 -8.673 1.00 0.00 C ATOM 562 C CYS A 39 -7.972 0.156 -9.965 1.00 0.00 C ATOM 563 O CYS A 39 -6.887 0.739 -9.974 1.00 0.00 O ATOM 564 CB CYS A 39 -9.966 0.967 -8.690 1.00 0.00 C ATOM 565 SG CYS A 39 -11.339 0.410 -9.727 1.00 0.00 S ATOM 0 H CYS A 39 -8.311 0.964 -6.862 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.133 -1.012 -8.603 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -10.326 1.100 -7.670 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -9.633 1.944 -9.040 1.00 0.00 H new ATOM 0 HG CYS A 39 -12.303 1.281 -9.675 1.00 0.00 H new ATOM 571 N ILE A 40 -8.515 -0.380 -11.053 1.00 0.00 N ATOM 572 CA ILE A 40 -7.853 -0.313 -12.349 1.00 0.00 C ATOM 573 C ILE A 40 -7.047 0.974 -12.489 1.00 0.00 C ATOM 574 O ILE A 40 -6.020 1.005 -13.167 1.00 0.00 O ATOM 575 CB ILE A 40 -8.867 -0.398 -13.505 1.00 0.00 C ATOM 576 CG1 ILE A 40 -9.633 -1.721 -13.444 1.00 0.00 C ATOM 577 CG2 ILE A 40 -8.159 -0.250 -14.843 1.00 0.00 C ATOM 578 CD1 ILE A 40 -8.780 -2.928 -13.768 1.00 0.00 C ATOM 0 H ILE A 40 -9.412 -0.866 -11.062 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.180 -1.169 -12.403 1.00 0.00 H new ATOM 0 HB ILE A 40 -9.582 0.419 -13.403 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -10.055 -1.842 -12.446 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -10.470 -1.680 -14.141 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -8.889 -0.312 -15.650 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.655 0.716 -14.883 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.424 -1.047 -14.956 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -9.388 -3.831 -13.705 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -8.379 -2.830 -14.777 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.958 -2.994 -13.055 1.00 0.00 H new ATOM 590 N ASP A 41 -7.518 2.034 -11.841 1.00 0.00 N ATOM 591 CA ASP A 41 -6.840 3.324 -11.890 1.00 0.00 C ATOM 592 C ASP A 41 -5.515 3.270 -11.136 1.00 0.00 C ATOM 593 O ASP A 41 -5.472 2.916 -9.958 1.00 0.00 O ATOM 594 CB ASP A 41 -7.733 4.416 -11.299 1.00 0.00 C ATOM 595 CG ASP A 41 -9.037 4.571 -12.057 1.00 0.00 C ATOM 596 OD1 ASP A 41 -8.986 4.788 -13.285 1.00 0.00 O ATOM 597 OD2 ASP A 41 -10.108 4.477 -11.422 1.00 0.00 O ATOM 0 H ASP A 41 -8.367 2.025 -11.276 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.634 3.559 -12.934 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.948 4.181 -10.257 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.196 5.365 -11.308 1.00 0.00 H new ATOM 602 N VAL A 42 -4.434 3.622 -11.825 1.00 0.00 N ATOM 603 CA VAL A 42 -3.106 3.614 -11.221 1.00 0.00 C ATOM 604 C VAL A 42 -2.786 4.960 -10.581 1.00 0.00 C ATOM 605 O VAL A 42 -3.289 5.998 -11.009 1.00 0.00 O ATOM 606 CB VAL A 42 -2.019 3.279 -12.260 1.00 0.00 C ATOM 607 CG1 VAL A 42 -0.689 3.011 -11.573 1.00 0.00 C ATOM 608 CG2 VAL A 42 -2.441 2.089 -13.107 1.00 0.00 C ATOM 0 H VAL A 42 -4.451 3.916 -12.801 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.112 2.842 -10.452 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.893 4.138 -12.919 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.067 2.776 -12.322 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.383 3.896 -11.014 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.796 2.169 -10.889 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.661 1.866 -13.836 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.596 1.222 -12.465 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.369 2.324 -13.629 1.00 0.00 H new ATOM 618 N GLY A 43 -1.943 4.935 -9.553 1.00 0.00 N ATOM 619 CA GLY A 43 -1.569 6.159 -8.870 1.00 0.00 C ATOM 620 C GLY A 43 -1.921 6.133 -7.396 1.00 0.00 C ATOM 621 O GLY A 43 -1.446 6.964 -6.622 1.00 0.00 O ATOM 0 H GLY A 43 -1.512 4.088 -9.181 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.497 6.320 -8.981 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.069 7.003 -9.345 1.00 0.00 H new ATOM 625 N TRP A 44 -2.757 5.177 -7.007 1.00 0.00 N ATOM 626 CA TRP A 44 -3.175 5.047 -5.615 1.00 0.00 C ATOM 627 C TRP A 44 -2.909 3.638 -5.097 1.00 0.00 C ATOM 628 O TRP A 44 -2.820 2.688 -5.874 1.00 0.00 O ATOM 629 CB TRP A 44 -4.660 5.384 -5.473 1.00 0.00 C ATOM 630 CG TRP A 44 -5.021 6.727 -6.033 1.00 0.00 C ATOM 631 CD1 TRP A 44 -5.553 6.986 -7.264 1.00 0.00 C ATOM 632 CD2 TRP A 44 -4.873 7.994 -5.383 1.00 0.00 C ATOM 633 NE1 TRP A 44 -5.745 8.337 -7.418 1.00 0.00 N ATOM 634 CE2 TRP A 44 -5.337 8.978 -6.278 1.00 0.00 C ATOM 635 CE3 TRP A 44 -4.396 8.393 -4.132 1.00 0.00 C ATOM 636 CZ2 TRP A 44 -5.336 10.333 -5.960 1.00 0.00 C ATOM 637 CZ3 TRP A 44 -4.395 9.738 -3.817 1.00 0.00 C ATOM 638 CH2 TRP A 44 -4.863 10.696 -4.728 1.00 0.00 C ATOM 0 H TRP A 44 -3.159 4.481 -7.635 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.592 5.749 -5.019 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -5.249 4.618 -5.977 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -4.933 5.353 -4.418 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -5.788 6.238 -8.007 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -6.129 8.790 -8.247 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.034 7.663 -3.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.696 11.072 -6.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.028 10.057 -2.853 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -4.850 11.740 -4.452 1.00 0.00 H new ATOM 649 N TRP A 45 -2.783 3.511 -3.781 1.00 0.00 N ATOM 650 CA TRP A 45 -2.527 2.217 -3.159 1.00 0.00 C ATOM 651 C TRP A 45 -2.765 2.279 -1.655 1.00 0.00 C ATOM 652 O TRP A 45 -2.650 3.340 -1.043 1.00 0.00 O ATOM 653 CB TRP A 45 -1.093 1.766 -3.443 1.00 0.00 C ATOM 654 CG TRP A 45 -0.941 1.056 -4.753 1.00 0.00 C ATOM 655 CD1 TRP A 45 -1.924 0.428 -5.464 1.00 0.00 C ATOM 656 CD2 TRP A 45 0.265 0.899 -5.509 1.00 0.00 C ATOM 657 NE1 TRP A 45 -1.402 -0.109 -6.615 1.00 0.00 N ATOM 658 CE2 TRP A 45 -0.061 0.167 -6.667 1.00 0.00 C ATOM 659 CE3 TRP A 45 1.588 1.309 -5.321 1.00 0.00 C ATOM 660 CZ2 TRP A 45 0.889 -0.165 -7.630 1.00 0.00 C ATOM 661 CZ3 TRP A 45 2.529 0.978 -6.277 1.00 0.00 C ATOM 662 CH2 TRP A 45 2.176 0.248 -7.420 1.00 0.00 C ATOM 0 H TRP A 45 -2.854 4.288 -3.124 1.00 0.00 H new ATOM 0 HA TRP A 45 -3.220 1.493 -3.588 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.437 2.637 -3.432 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -0.762 1.107 -2.640 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -2.960 0.363 -5.165 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.928 -0.629 -7.318 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.869 1.874 -4.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.619 -0.728 -8.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.555 1.287 -6.141 1.00 0.00 H new ATOM 0 HH2 TRP A 45 2.935 0.007 -8.149 1.00 0.00 H new ATOM 673 N GLU A 46 -3.098 1.135 -1.065 1.00 0.00 N ATOM 674 CA GLU A 46 -3.353 1.061 0.369 1.00 0.00 C ATOM 675 C GLU A 46 -2.304 0.198 1.065 1.00 0.00 C ATOM 676 O GLU A 46 -1.883 -0.831 0.539 1.00 0.00 O ATOM 677 CB GLU A 46 -4.750 0.497 0.633 1.00 0.00 C ATOM 678 CG GLU A 46 -5.385 1.015 1.912 1.00 0.00 C ATOM 679 CD GLU A 46 -6.683 0.308 2.248 1.00 0.00 C ATOM 680 OE1 GLU A 46 -7.503 0.102 1.328 1.00 0.00 O ATOM 681 OE2 GLU A 46 -6.879 -0.041 3.431 1.00 0.00 O ATOM 0 H GLU A 46 -3.197 0.247 -1.558 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.294 2.071 0.775 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.397 0.743 -0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.690 -0.590 0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.684 0.890 2.737 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.573 2.084 1.812 1.00 0.00 H new ATOM 688 N GLY A 47 -1.886 0.627 2.252 1.00 0.00 N ATOM 689 CA GLY A 47 -0.890 -0.117 3.001 1.00 0.00 C ATOM 690 C GLY A 47 -1.023 0.081 4.498 1.00 0.00 C ATOM 691 O GLY A 47 -1.811 0.909 4.953 1.00 0.00 O ATOM 0 H GLY A 47 -2.219 1.476 2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.983 -1.178 2.768 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.106 0.193 2.684 1.00 0.00 H new ATOM 695 N GLU A 48 -0.250 -0.681 5.265 1.00 0.00 N ATOM 696 CA GLU A 48 -0.287 -0.586 6.720 1.00 0.00 C ATOM 697 C GLU A 48 1.044 -0.076 7.266 1.00 0.00 C ATOM 698 O GLU A 48 2.105 -0.619 6.955 1.00 0.00 O ATOM 699 CB GLU A 48 -0.614 -1.949 7.334 1.00 0.00 C ATOM 700 CG GLU A 48 -1.361 -1.858 8.654 1.00 0.00 C ATOM 701 CD GLU A 48 -1.436 -3.190 9.374 1.00 0.00 C ATOM 702 OE1 GLU A 48 -0.369 -3.774 9.656 1.00 0.00 O ATOM 703 OE2 GLU A 48 -2.563 -3.648 9.658 1.00 0.00 O ATOM 0 H GLU A 48 0.409 -1.371 4.904 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.068 0.124 6.993 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.212 -2.523 6.626 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.313 -2.501 7.488 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.868 -1.129 9.297 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.371 -1.490 8.471 1.00 0.00 H new ATOM 710 N LEU A 49 0.979 0.971 8.080 1.00 0.00 N ATOM 711 CA LEU A 49 2.178 1.556 8.670 1.00 0.00 C ATOM 712 C LEU A 49 1.923 1.985 10.112 1.00 0.00 C ATOM 713 O LEU A 49 1.069 2.831 10.376 1.00 0.00 O ATOM 714 CB LEU A 49 2.644 2.757 7.844 1.00 0.00 C ATOM 715 CG LEU A 49 3.972 3.387 8.265 1.00 0.00 C ATOM 716 CD1 LEU A 49 5.140 2.542 7.780 1.00 0.00 C ATOM 717 CD2 LEU A 49 4.081 4.808 7.731 1.00 0.00 C ATOM 0 H LEU A 49 0.109 1.432 8.347 1.00 0.00 H new ATOM 0 HA LEU A 49 2.960 0.797 8.669 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.726 2.446 6.803 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.871 3.524 7.887 1.00 0.00 H new ATOM 0 HG LEU A 49 4.005 3.426 9.354 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.077 3.005 8.089 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.070 1.543 8.211 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.111 2.471 6.693 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.032 5.241 8.040 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.026 4.793 6.642 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.263 5.409 8.127 1.00 0.00 H new ATOM 729 N ASN A 50 2.670 1.397 11.040 1.00 0.00 N ATOM 730 CA ASN A 50 2.525 1.719 12.455 1.00 0.00 C ATOM 731 C ASN A 50 1.078 1.549 12.907 1.00 0.00 C ATOM 732 O ASN A 50 0.557 2.355 13.675 1.00 0.00 O ATOM 733 CB ASN A 50 2.989 3.152 12.723 1.00 0.00 C ATOM 734 CG ASN A 50 4.320 3.462 12.065 1.00 0.00 C ATOM 735 OD1 ASN A 50 4.441 4.424 11.306 1.00 0.00 O ATOM 736 ND2 ASN A 50 5.326 2.645 12.353 1.00 0.00 N ATOM 0 H ASN A 50 3.382 0.695 10.838 1.00 0.00 H new ATOM 0 HA ASN A 50 3.148 1.029 13.024 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.235 3.849 12.358 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.073 3.308 13.798 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.245 2.802 11.940 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.180 1.860 12.988 1.00 0.00 H new ATOM 743 N GLY A 51 0.433 0.491 12.423 1.00 0.00 N ATOM 744 CA GLY A 51 -0.947 0.233 12.788 1.00 0.00 C ATOM 745 C GLY A 51 -1.901 1.261 12.212 1.00 0.00 C ATOM 746 O GLY A 51 -2.765 1.780 12.920 1.00 0.00 O ATOM 0 H GLY A 51 0.842 -0.191 11.785 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.233 -0.759 12.439 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.037 0.227 13.874 1.00 0.00 H new ATOM 750 N ARG A 52 -1.744 1.557 10.926 1.00 0.00 N ATOM 751 CA ARG A 52 -2.597 2.532 10.257 1.00 0.00 C ATOM 752 C ARG A 52 -2.973 2.056 8.857 1.00 0.00 C ATOM 753 O ARG A 52 -2.104 1.739 8.045 1.00 0.00 O ATOM 754 CB ARG A 52 -1.890 3.887 10.174 1.00 0.00 C ATOM 755 CG ARG A 52 -1.630 4.522 11.530 1.00 0.00 C ATOM 756 CD ARG A 52 -1.517 6.035 11.424 1.00 0.00 C ATOM 757 NE ARG A 52 -1.301 6.660 12.726 1.00 0.00 N ATOM 758 CZ ARG A 52 -0.105 6.790 13.290 1.00 0.00 C ATOM 759 NH1 ARG A 52 0.976 6.340 12.668 1.00 0.00 N ATOM 760 NH2 ARG A 52 0.011 7.370 14.477 1.00 0.00 N ATOM 0 H ARG A 52 -1.034 1.136 10.327 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.510 2.641 10.842 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.941 3.761 9.653 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.495 4.567 9.574 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.438 4.263 12.215 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.711 4.116 11.953 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.693 6.291 10.758 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.426 6.436 10.976 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.113 7.016 13.230 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.890 5.893 11.755 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.893 6.441 13.102 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.819 7.717 14.958 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.930 7.469 14.909 1.00 0.00 H new ATOM 774 N ARG A 53 -4.272 2.008 8.583 1.00 0.00 N ATOM 775 CA ARG A 53 -4.763 1.569 7.283 1.00 0.00 C ATOM 776 C ARG A 53 -5.328 2.744 6.490 1.00 0.00 C ATOM 777 O ARG A 53 -6.403 3.256 6.800 1.00 0.00 O ATOM 778 CB ARG A 53 -5.837 0.493 7.456 1.00 0.00 C ATOM 779 CG ARG A 53 -5.272 -0.899 7.690 1.00 0.00 C ATOM 780 CD ARG A 53 -6.369 -1.952 7.692 1.00 0.00 C ATOM 781 NE ARG A 53 -6.691 -2.410 6.344 1.00 0.00 N ATOM 782 CZ ARG A 53 -7.785 -3.102 6.044 1.00 0.00 C ATOM 783 NH1 ARG A 53 -8.657 -3.413 6.993 1.00 0.00 N ATOM 784 NH2 ARG A 53 -8.008 -3.484 4.793 1.00 0.00 N ATOM 0 H ARG A 53 -5.004 2.268 9.244 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.924 1.149 6.729 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.477 0.762 8.296 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.468 0.475 6.567 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.543 -1.132 6.914 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.742 -0.922 8.642 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.055 -2.802 8.298 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.264 -1.542 8.159 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.040 -2.187 5.591 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.489 -3.121 7.956 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.496 -3.944 6.760 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.339 -3.247 4.060 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.848 -4.015 4.564 1.00 0.00 H new ATOM 798 N GLY A 54 -4.595 3.167 5.464 1.00 0.00 N ATOM 799 CA GLY A 54 -5.039 4.278 4.644 1.00 0.00 C ATOM 800 C GLY A 54 -4.435 4.250 3.254 1.00 0.00 C ATOM 801 O GLY A 54 -3.455 3.547 3.009 1.00 0.00 O ATOM 0 H GLY A 54 -3.702 2.760 5.187 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.126 4.256 4.565 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.774 5.215 5.133 1.00 0.00 H new ATOM 805 N VAL A 55 -5.022 5.016 2.339 1.00 0.00 N ATOM 806 CA VAL A 55 -4.536 5.076 0.966 1.00 0.00 C ATOM 807 C VAL A 55 -3.333 6.005 0.849 1.00 0.00 C ATOM 808 O VAL A 55 -3.040 6.776 1.762 1.00 0.00 O ATOM 809 CB VAL A 55 -5.637 5.555 0.001 1.00 0.00 C ATOM 810 CG1 VAL A 55 -6.813 4.590 0.012 1.00 0.00 C ATOM 811 CG2 VAL A 55 -6.088 6.962 0.364 1.00 0.00 C ATOM 0 H VAL A 55 -5.835 5.604 2.524 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.238 4.064 0.691 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.226 5.579 -1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.581 4.944 -0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.475 3.601 -0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.226 4.532 1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.866 7.285 -0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.481 6.967 1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.240 7.644 0.300 1.00 0.00 H new ATOM 821 N PHE A 56 -2.640 5.927 -0.283 1.00 0.00 N ATOM 822 CA PHE A 56 -1.468 6.761 -0.520 1.00 0.00 C ATOM 823 C PHE A 56 -1.051 6.708 -1.987 1.00 0.00 C ATOM 824 O PHE A 56 -1.287 5.726 -2.691 1.00 0.00 O ATOM 825 CB PHE A 56 -0.307 6.310 0.368 1.00 0.00 C ATOM 826 CG PHE A 56 0.173 4.919 0.067 1.00 0.00 C ATOM 827 CD1 PHE A 56 1.018 4.679 -1.005 1.00 0.00 C ATOM 828 CD2 PHE A 56 -0.221 3.850 0.856 1.00 0.00 C ATOM 829 CE1 PHE A 56 1.461 3.401 -1.284 1.00 0.00 C ATOM 830 CE2 PHE A 56 0.219 2.569 0.582 1.00 0.00 C ATOM 831 CZ PHE A 56 1.061 2.344 -0.491 1.00 0.00 C ATOM 0 H PHE A 56 -2.870 5.295 -1.050 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.728 7.790 -0.271 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.523 7.006 0.248 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.617 6.361 1.412 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.334 5.501 -1.630 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.880 4.020 1.695 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.120 3.229 -2.122 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.095 1.745 1.205 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.405 1.344 -0.708 1.00 0.00 H new ATOM 841 N PRO A 57 -0.418 7.791 -2.461 1.00 0.00 N ATOM 842 CA PRO A 57 0.045 7.894 -3.848 1.00 0.00 C ATOM 843 C PRO A 57 1.216 6.961 -4.139 1.00 0.00 C ATOM 844 O PRO A 57 2.259 7.038 -3.490 1.00 0.00 O ATOM 845 CB PRO A 57 0.484 9.356 -3.968 1.00 0.00 C ATOM 846 CG PRO A 57 0.829 9.763 -2.577 1.00 0.00 C ATOM 847 CD PRO A 57 -0.104 8.999 -1.678 1.00 0.00 C ATOM 0 HA PRO A 57 -0.730 7.608 -4.559 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.340 9.459 -4.635 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.314 9.977 -4.376 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.869 9.530 -2.349 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.707 10.838 -2.443 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.368 8.750 -0.727 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.001 9.574 -1.448 1.00 0.00 H new ATOM 855 N ASP A 58 1.035 6.081 -5.118 1.00 0.00 N ATOM 856 CA ASP A 58 2.078 5.134 -5.496 1.00 0.00 C ATOM 857 C ASP A 58 3.342 5.864 -5.937 1.00 0.00 C ATOM 858 O ASP A 58 4.455 5.445 -5.621 1.00 0.00 O ATOM 859 CB ASP A 58 1.583 4.221 -6.619 1.00 0.00 C ATOM 860 CG ASP A 58 1.876 4.785 -7.995 1.00 0.00 C ATOM 861 OD1 ASP A 58 1.534 5.961 -8.240 1.00 0.00 O ATOM 862 OD2 ASP A 58 2.448 4.051 -8.827 1.00 0.00 O ATOM 0 H ASP A 58 0.177 6.004 -5.664 1.00 0.00 H new ATOM 0 HA ASP A 58 2.318 4.527 -4.623 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.054 3.243 -6.523 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.509 4.069 -6.513 1.00 0.00 H new ATOM 867 N ASN A 59 3.162 6.959 -6.669 1.00 0.00 N ATOM 868 CA ASN A 59 4.289 7.747 -7.155 1.00 0.00 C ATOM 869 C ASN A 59 5.244 8.090 -6.016 1.00 0.00 C ATOM 870 O ASN A 59 6.428 8.345 -6.240 1.00 0.00 O ATOM 871 CB ASN A 59 3.790 9.031 -7.822 1.00 0.00 C ATOM 872 CG ASN A 59 2.557 9.593 -7.143 1.00 0.00 C ATOM 873 OD1 ASN A 59 2.656 10.318 -6.153 1.00 0.00 O ATOM 874 ND2 ASN A 59 1.386 9.261 -7.673 1.00 0.00 N ATOM 0 H ASN A 59 2.247 7.320 -6.938 1.00 0.00 H new ATOM 0 HA ASN A 59 4.828 7.150 -7.890 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.583 9.778 -7.805 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.565 8.829 -8.869 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.522 9.610 -7.259 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.351 8.657 -8.494 1.00 0.00 H new ATOM 881 N PHE A 60 4.722 8.095 -4.794 1.00 0.00 N ATOM 882 CA PHE A 60 5.528 8.407 -3.620 1.00 0.00 C ATOM 883 C PHE A 60 6.172 7.146 -3.051 1.00 0.00 C ATOM 884 O PHE A 60 6.610 7.123 -1.901 1.00 0.00 O ATOM 885 CB PHE A 60 4.667 9.081 -2.549 1.00 0.00 C ATOM 886 CG PHE A 60 4.584 10.573 -2.697 1.00 0.00 C ATOM 887 CD1 PHE A 60 3.589 11.152 -3.468 1.00 0.00 C ATOM 888 CD2 PHE A 60 5.502 11.397 -2.066 1.00 0.00 C ATOM 889 CE1 PHE A 60 3.511 12.525 -3.607 1.00 0.00 C ATOM 890 CE2 PHE A 60 5.429 12.771 -2.201 1.00 0.00 C ATOM 891 CZ PHE A 60 4.432 13.335 -2.972 1.00 0.00 C ATOM 0 H PHE A 60 3.744 7.886 -4.591 1.00 0.00 H new ATOM 0 HA PHE A 60 6.319 9.092 -3.925 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.661 8.664 -2.588 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.073 8.844 -1.566 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.866 10.523 -3.966 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.284 10.961 -1.462 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.731 12.964 -4.211 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.151 13.402 -1.704 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.372 14.408 -3.078 1.00 0.00 H new ATOM 901 N VAL A 61 6.225 6.097 -3.866 1.00 0.00 N ATOM 902 CA VAL A 61 6.815 4.832 -3.446 1.00 0.00 C ATOM 903 C VAL A 61 7.240 3.997 -4.649 1.00 0.00 C ATOM 904 O VAL A 61 7.029 4.389 -5.796 1.00 0.00 O ATOM 905 CB VAL A 61 5.834 4.012 -2.587 1.00 0.00 C ATOM 906 CG1 VAL A 61 5.365 4.824 -1.389 1.00 0.00 C ATOM 907 CG2 VAL A 61 4.651 3.551 -3.425 1.00 0.00 C ATOM 0 H VAL A 61 5.866 6.099 -4.821 1.00 0.00 H new ATOM 0 HA VAL A 61 7.693 5.076 -2.848 1.00 0.00 H new ATOM 0 HB VAL A 61 6.354 3.129 -2.215 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.673 4.228 -0.794 1.00 0.00 H new ATOM 0 HG12 VAL A 61 6.224 5.100 -0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.862 5.726 -1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.968 2.973 -2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.129 4.420 -3.827 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.007 2.930 -4.247 1.00 0.00 H new ATOM 917 N LYS A 62 7.841 2.843 -4.379 1.00 0.00 N ATOM 918 CA LYS A 62 8.296 1.951 -5.438 1.00 0.00 C ATOM 919 C LYS A 62 8.137 0.491 -5.025 1.00 0.00 C ATOM 920 O LYS A 62 8.295 0.146 -3.853 1.00 0.00 O ATOM 921 CB LYS A 62 9.759 2.238 -5.783 1.00 0.00 C ATOM 922 CG LYS A 62 9.970 3.576 -6.470 1.00 0.00 C ATOM 923 CD LYS A 62 9.618 3.506 -7.947 1.00 0.00 C ATOM 924 CE LYS A 62 10.785 2.990 -8.774 1.00 0.00 C ATOM 925 NZ LYS A 62 10.719 3.464 -10.184 1.00 0.00 N ATOM 0 H LYS A 62 8.024 2.504 -3.435 1.00 0.00 H new ATOM 0 HA LYS A 62 7.680 2.131 -6.319 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.351 2.211 -4.868 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.134 1.444 -6.429 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.358 4.336 -5.985 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.009 3.884 -6.357 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.756 2.854 -8.086 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.330 4.496 -8.301 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.722 3.318 -8.324 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.788 1.900 -8.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.532 3.091 -10.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.837 3.129 -10.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.742 4.504 -10.202 1.00 0.00 H new ATOM 939 N LEU A 63 7.826 -0.363 -5.994 1.00 0.00 N ATOM 940 CA LEU A 63 7.647 -1.787 -5.731 1.00 0.00 C ATOM 941 C LEU A 63 8.991 -2.508 -5.701 1.00 0.00 C ATOM 942 O LEU A 63 9.733 -2.501 -6.685 1.00 0.00 O ATOM 943 CB LEU A 63 6.743 -2.413 -6.794 1.00 0.00 C ATOM 944 CG LEU A 63 5.245 -2.411 -6.487 1.00 0.00 C ATOM 945 CD1 LEU A 63 4.915 -3.459 -5.435 1.00 0.00 C ATOM 946 CD2 LEU A 63 4.796 -1.032 -6.027 1.00 0.00 C ATOM 0 H LEU A 63 7.693 -0.094 -6.969 1.00 0.00 H new ATOM 0 HA LEU A 63 7.176 -1.894 -4.754 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.902 -1.885 -7.734 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.060 -3.444 -6.951 1.00 0.00 H new ATOM 0 HG LEU A 63 4.706 -2.660 -7.401 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.845 -3.443 -5.229 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.199 -4.445 -5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.464 -3.241 -4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.727 -1.050 -5.813 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.342 -0.754 -5.126 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.997 -0.303 -6.812 1.00 0.00 H new ATOM 958 N LEU A 64 9.298 -3.130 -4.569 1.00 0.00 N ATOM 959 CA LEU A 64 10.552 -3.858 -4.411 1.00 0.00 C ATOM 960 C LEU A 64 10.430 -5.277 -4.957 1.00 0.00 C ATOM 961 O LEU A 64 11.229 -5.703 -5.791 1.00 0.00 O ATOM 962 CB LEU A 64 10.959 -3.900 -2.937 1.00 0.00 C ATOM 963 CG LEU A 64 10.922 -2.565 -2.193 1.00 0.00 C ATOM 964 CD1 LEU A 64 10.743 -2.791 -0.700 1.00 0.00 C ATOM 965 CD2 LEU A 64 12.190 -1.768 -2.464 1.00 0.00 C ATOM 0 H LEU A 64 8.696 -3.145 -3.746 1.00 0.00 H new ATOM 0 HA LEU A 64 11.321 -3.334 -4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.303 -4.600 -2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.970 -4.302 -2.871 1.00 0.00 H new ATOM 0 HG LEU A 64 10.070 -1.991 -2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.719 -1.830 -0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.807 -3.321 -0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.574 -3.385 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 64 12.146 -0.821 -1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.056 -2.337 -2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.277 -1.575 -3.533 1.00 0.00 H new ATOM 977 N SER A 65 9.423 -6.004 -4.483 1.00 0.00 N ATOM 978 CA SER A 65 9.197 -7.376 -4.923 1.00 0.00 C ATOM 979 C SER A 65 9.458 -7.517 -6.419 1.00 0.00 C ATOM 980 O SER A 65 10.384 -8.210 -6.837 1.00 0.00 O ATOM 981 CB SER A 65 7.765 -7.807 -4.600 1.00 0.00 C ATOM 982 OG SER A 65 7.679 -8.354 -3.295 1.00 0.00 O ATOM 0 H SER A 65 8.751 -5.666 -3.794 1.00 0.00 H new ATOM 0 HA SER A 65 9.893 -8.023 -4.389 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.096 -6.950 -4.683 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.430 -8.544 -5.330 1.00 0.00 H new ATOM 0 HG SER A 65 6.754 -8.620 -3.112 1.00 0.00 H new ATOM 988 N GLY A 66 8.632 -6.853 -7.223 1.00 0.00 N ATOM 989 CA GLY A 66 8.789 -6.916 -8.664 1.00 0.00 C ATOM 990 C GLY A 66 8.486 -5.594 -9.339 1.00 0.00 C ATOM 991 O GLY A 66 7.368 -5.345 -9.791 1.00 0.00 O ATOM 0 H GLY A 66 7.857 -6.273 -6.901 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.809 -7.216 -8.902 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.128 -7.685 -9.065 1.00 0.00 H new ATOM 995 N PRO A 67 9.498 -4.717 -9.413 1.00 0.00 N ATOM 996 CA PRO A 67 9.358 -3.397 -10.035 1.00 0.00 C ATOM 997 C PRO A 67 9.194 -3.484 -11.548 1.00 0.00 C ATOM 998 O PRO A 67 9.050 -2.466 -12.226 1.00 0.00 O ATOM 999 CB PRO A 67 10.671 -2.696 -9.679 1.00 0.00 C ATOM 1000 CG PRO A 67 11.646 -3.802 -9.469 1.00 0.00 C ATOM 1001 CD PRO A 67 10.857 -4.946 -8.895 1.00 0.00 C ATOM 0 HA PRO A 67 8.470 -2.873 -9.683 1.00 0.00 H new ATOM 0 HB2 PRO A 67 10.994 -2.030 -10.479 1.00 0.00 H new ATOM 0 HB3 PRO A 67 10.564 -2.087 -8.781 1.00 0.00 H new ATOM 0 HG2 PRO A 67 12.121 -4.087 -10.408 1.00 0.00 H new ATOM 0 HG3 PRO A 67 12.442 -3.497 -8.789 1.00 0.00 H new ATOM 0 HD2 PRO A 67 11.253 -5.909 -9.217 1.00 0.00 H new ATOM 0 HD3 PRO A 67 10.878 -4.942 -7.805 1.00 0.00 H new ATOM 1009 N SER A 68 9.216 -4.705 -12.072 1.00 0.00 N ATOM 1010 CA SER A 68 9.073 -4.925 -13.507 1.00 0.00 C ATOM 1011 C SER A 68 7.616 -5.195 -13.872 1.00 0.00 C ATOM 1012 O SER A 68 7.151 -4.805 -14.943 1.00 0.00 O ATOM 1013 CB SER A 68 9.949 -6.096 -13.955 1.00 0.00 C ATOM 1014 OG SER A 68 9.781 -7.214 -13.101 1.00 0.00 O ATOM 0 H SER A 68 9.332 -5.558 -11.524 1.00 0.00 H new ATOM 0 HA SER A 68 9.397 -4.021 -14.023 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.695 -6.374 -14.978 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.995 -5.791 -13.958 1.00 0.00 H new ATOM 0 HG SER A 68 10.350 -7.950 -13.409 1.00 0.00 H new ATOM 1020 N SER A 69 6.902 -5.865 -12.974 1.00 0.00 N ATOM 1021 CA SER A 69 5.499 -6.191 -13.202 1.00 0.00 C ATOM 1022 C SER A 69 4.670 -5.932 -11.948 1.00 0.00 C ATOM 1023 O SER A 69 5.207 -5.827 -10.846 1.00 0.00 O ATOM 1024 CB SER A 69 5.357 -7.654 -13.629 1.00 0.00 C ATOM 1025 OG SER A 69 5.882 -7.860 -14.928 1.00 0.00 O ATOM 0 H SER A 69 7.272 -6.193 -12.082 1.00 0.00 H new ATOM 0 HA SER A 69 5.127 -5.549 -14.000 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.877 -8.296 -12.918 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.306 -7.941 -13.609 1.00 0.00 H new ATOM 0 HG SER A 69 5.780 -8.803 -15.176 1.00 0.00 H new ATOM 1031 N GLY A 70 3.356 -5.830 -12.126 1.00 0.00 N ATOM 1032 CA GLY A 70 2.473 -5.584 -11.001 1.00 0.00 C ATOM 1033 C GLY A 70 2.862 -6.382 -9.772 1.00 0.00 C ATOM 1034 O GLY A 70 2.957 -5.836 -8.673 1.00 0.00 O ATOM 0 H GLY A 70 2.888 -5.913 -13.028 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.486 -4.521 -10.759 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.451 -5.834 -11.284 1.00 0.00 H new TER 1038 GLY A 70