USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 514 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 23 ASN : amide:sc= -0.26 K(o=-0.17,f=0.68) USER MOD Set 1.2: A 55 TYR OH : rot 33:sc= 0.0862 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -43:sc= 1.11 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -54:sc= 0.0133 USER MOD Single : A 9 LYS NZ :NH3+ -131:sc= 0.0706 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -147:sc= 0.3 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot -153:sc= -2.16! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.135 K(o=-0.14,f=-1.8!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -2.07 K(o=-2.1,f=-2.9) USER MOD Single : A 52 GLN : amide:sc= -0.0521 X(o=-0.052,f=-0.4) USER MOD Single : A 58 SER OG : rot 54:sc= 0.237 USER MOD Single : A 59 ASN : amide:sc= -2.21 K(o=-2.2,f=-9.5!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.184 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 53.848 21.040 -5.587 1.00 0.00 N ATOM 2 CA GLY A 1 53.466 22.433 -5.955 1.00 0.00 C ATOM 3 C GLY A 1 53.980 23.402 -4.890 1.00 0.00 C ATOM 4 O GLY A 1 54.770 24.284 -5.173 1.00 0.00 O ATOM 0 H1 GLY A 1 53.498 20.381 -6.312 1.00 0.00 H new ATOM 0 H2 GLY A 1 54.884 20.969 -5.525 1.00 0.00 H new ATOM 0 H3 GLY A 1 53.429 20.797 -4.667 1.00 0.00 H new ATOM 0 HA2 GLY A 1 53.884 22.691 -6.928 1.00 0.00 H new ATOM 0 HA3 GLY A 1 52.382 22.513 -6.042 1.00 0.00 H new ATOM 10 N SER A 2 53.538 23.245 -3.669 1.00 0.00 N ATOM 11 CA SER A 2 53.997 24.154 -2.576 1.00 0.00 C ATOM 12 C SER A 2 54.114 23.381 -1.259 1.00 0.00 C ATOM 13 O SER A 2 53.918 23.926 -0.189 1.00 0.00 O ATOM 14 CB SER A 2 52.913 25.226 -2.472 1.00 0.00 C ATOM 15 OG SER A 2 51.694 24.623 -2.058 1.00 0.00 O ATOM 0 H SER A 2 52.877 22.524 -3.381 1.00 0.00 H new ATOM 0 HA SER A 2 54.978 24.583 -2.781 1.00 0.00 H new ATOM 0 HB2 SER A 2 53.212 25.994 -1.759 1.00 0.00 H new ATOM 0 HB3 SER A 2 52.780 25.719 -3.435 1.00 0.00 H new ATOM 0 HG SER A 2 50.997 25.308 -1.989 1.00 0.00 H new ATOM 21 N MET A 3 54.434 22.111 -1.330 1.00 0.00 N ATOM 22 CA MET A 3 54.571 21.279 -0.088 1.00 0.00 C ATOM 23 C MET A 3 53.313 21.392 0.784 1.00 0.00 C ATOM 24 O MET A 3 53.393 21.636 1.973 1.00 0.00 O ATOM 25 CB MET A 3 55.788 21.844 0.649 1.00 0.00 C ATOM 26 CG MET A 3 56.232 20.861 1.734 1.00 0.00 C ATOM 27 SD MET A 3 57.051 21.765 3.070 1.00 0.00 S ATOM 28 CE MET A 3 58.741 21.612 2.445 1.00 0.00 C ATOM 0 H MET A 3 54.608 21.610 -2.201 1.00 0.00 H new ATOM 0 HA MET A 3 54.694 20.222 -0.324 1.00 0.00 H new ATOM 0 HB2 MET A 3 56.603 22.018 -0.054 1.00 0.00 H new ATOM 0 HB3 MET A 3 55.541 22.807 1.096 1.00 0.00 H new ATOM 0 HG2 MET A 3 55.370 20.319 2.123 1.00 0.00 H new ATOM 0 HG3 MET A 3 56.911 20.120 1.312 1.00 0.00 H new ATOM 0 HE1 MET A 3 59.428 22.110 3.129 1.00 0.00 H new ATOM 0 HE2 MET A 3 59.006 20.558 2.368 1.00 0.00 H new ATOM 0 HE3 MET A 3 58.809 22.076 1.461 1.00 0.00 H new ATOM 38 N SER A 4 52.157 21.216 0.196 1.00 0.00 N ATOM 39 CA SER A 4 50.889 21.311 0.981 1.00 0.00 C ATOM 40 C SER A 4 50.143 19.975 0.943 1.00 0.00 C ATOM 41 O SER A 4 48.929 19.931 1.028 1.00 0.00 O ATOM 42 CB SER A 4 50.075 22.400 0.285 1.00 0.00 C ATOM 43 OG SER A 4 48.831 22.556 0.955 1.00 0.00 O ATOM 0 H SER A 4 52.036 21.010 -0.796 1.00 0.00 H new ATOM 0 HA SER A 4 51.068 21.544 2.031 1.00 0.00 H new ATOM 0 HB2 SER A 4 50.625 23.341 0.291 1.00 0.00 H new ATOM 0 HB3 SER A 4 49.908 22.135 -0.759 1.00 0.00 H new ATOM 0 HG SER A 4 48.458 21.674 1.162 1.00 0.00 H new ATOM 49 N THR A 5 50.861 18.888 0.817 1.00 0.00 N ATOM 50 CA THR A 5 50.201 17.548 0.773 1.00 0.00 C ATOM 51 C THR A 5 50.911 16.578 1.722 1.00 0.00 C ATOM 52 O THR A 5 50.939 15.385 1.495 1.00 0.00 O ATOM 53 CB THR A 5 50.346 17.084 -0.676 1.00 0.00 C ATOM 54 OG1 THR A 5 51.722 17.051 -1.026 1.00 0.00 O ATOM 55 CG2 THR A 5 49.604 18.050 -1.601 1.00 0.00 C ATOM 0 H THR A 5 51.878 18.871 0.743 1.00 0.00 H new ATOM 0 HA THR A 5 49.157 17.590 1.085 1.00 0.00 H new ATOM 0 HB THR A 5 49.920 16.086 -0.782 1.00 0.00 H new ATOM 0 HG1 THR A 5 51.816 16.752 -1.954 1.00 0.00 H new ATOM 0 HG21 THR A 5 49.709 17.717 -2.634 1.00 0.00 H new ATOM 0 HG22 THR A 5 48.548 18.072 -1.332 1.00 0.00 H new ATOM 0 HG23 THR A 5 50.026 19.050 -1.497 1.00 0.00 H new ATOM 63 N SER A 6 51.486 17.087 2.787 1.00 0.00 N ATOM 64 CA SER A 6 52.204 16.207 3.770 1.00 0.00 C ATOM 65 C SER A 6 53.239 15.326 3.058 1.00 0.00 C ATOM 66 O SER A 6 53.489 14.204 3.454 1.00 0.00 O ATOM 67 CB SER A 6 51.116 15.343 4.413 1.00 0.00 C ATOM 68 OG SER A 6 51.584 14.854 5.663 1.00 0.00 O ATOM 0 H SER A 6 51.490 18.080 3.020 1.00 0.00 H new ATOM 0 HA SER A 6 52.749 16.793 4.510 1.00 0.00 H new ATOM 0 HB2 SER A 6 50.207 15.928 4.555 1.00 0.00 H new ATOM 0 HB3 SER A 6 50.860 14.511 3.756 1.00 0.00 H new ATOM 0 HG SER A 6 52.443 14.400 5.536 1.00 0.00 H new ATOM 74 N GLU A 7 53.841 15.831 2.006 1.00 0.00 N ATOM 75 CA GLU A 7 54.867 15.038 1.251 1.00 0.00 C ATOM 76 C GLU A 7 54.308 13.667 0.849 1.00 0.00 C ATOM 77 O GLU A 7 54.473 12.690 1.556 1.00 0.00 O ATOM 78 CB GLU A 7 56.047 14.875 2.213 1.00 0.00 C ATOM 79 CG GLU A 7 56.622 16.251 2.554 1.00 0.00 C ATOM 80 CD GLU A 7 57.135 16.249 3.995 1.00 0.00 C ATOM 81 OE1 GLU A 7 57.665 15.232 4.413 1.00 0.00 O ATOM 82 OE2 GLU A 7 56.989 17.263 4.657 1.00 0.00 O ATOM 0 H GLU A 7 53.665 16.765 1.635 1.00 0.00 H new ATOM 0 HA GLU A 7 55.161 15.538 0.328 1.00 0.00 H new ATOM 0 HB2 GLU A 7 55.721 14.370 3.122 1.00 0.00 H new ATOM 0 HB3 GLU A 7 56.816 14.250 1.759 1.00 0.00 H new ATOM 0 HG2 GLU A 7 57.433 16.498 1.869 1.00 0.00 H new ATOM 0 HG3 GLU A 7 55.857 17.017 2.431 1.00 0.00 H new ATOM 89 N LEU A 8 53.648 13.594 -0.279 1.00 0.00 N ATOM 90 CA LEU A 8 53.074 12.292 -0.734 1.00 0.00 C ATOM 91 C LEU A 8 53.877 11.744 -1.917 1.00 0.00 C ATOM 92 O LEU A 8 54.328 12.488 -2.768 1.00 0.00 O ATOM 93 CB LEU A 8 51.643 12.619 -1.163 1.00 0.00 C ATOM 94 CG LEU A 8 50.766 11.375 -1.005 1.00 0.00 C ATOM 95 CD1 LEU A 8 50.382 11.203 0.466 1.00 0.00 C ATOM 96 CD2 LEU A 8 49.498 11.538 -1.845 1.00 0.00 C ATOM 0 H LEU A 8 53.482 14.382 -0.905 1.00 0.00 H new ATOM 0 HA LEU A 8 53.102 11.533 0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 8 51.248 13.435 -0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 8 51.631 12.956 -2.199 1.00 0.00 H new ATOM 0 HG LEU A 8 51.317 10.497 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 8 49.757 10.317 0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 8 51.284 11.089 1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 8 49.830 12.081 0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 8 48.872 10.653 -1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 8 48.948 12.416 -1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 8 49.769 11.661 -2.893 1.00 0.00 H new ATOM 108 N LYS A 9 54.056 10.449 -1.973 1.00 0.00 N ATOM 109 CA LYS A 9 54.829 9.841 -3.098 1.00 0.00 C ATOM 110 C LYS A 9 54.597 8.329 -3.141 1.00 0.00 C ATOM 111 O LYS A 9 53.876 7.780 -2.328 1.00 0.00 O ATOM 112 CB LYS A 9 56.294 10.150 -2.785 1.00 0.00 C ATOM 113 CG LYS A 9 57.104 10.149 -4.081 1.00 0.00 C ATOM 114 CD LYS A 9 58.245 11.164 -3.971 1.00 0.00 C ATOM 115 CE LYS A 9 59.142 11.060 -5.207 1.00 0.00 C ATOM 116 NZ LYS A 9 60.475 11.547 -4.756 1.00 0.00 N ATOM 0 H LYS A 9 53.699 9.785 -1.286 1.00 0.00 H new ATOM 0 HA LYS A 9 54.528 10.237 -4.068 1.00 0.00 H new ATOM 0 HB2 LYS A 9 56.375 11.120 -2.294 1.00 0.00 H new ATOM 0 HB3 LYS A 9 56.693 9.408 -2.094 1.00 0.00 H new ATOM 0 HG2 LYS A 9 57.506 9.154 -4.271 1.00 0.00 H new ATOM 0 HG3 LYS A 9 56.461 10.399 -4.925 1.00 0.00 H new ATOM 0 HD2 LYS A 9 57.841 12.173 -3.885 1.00 0.00 H new ATOM 0 HD3 LYS A 9 58.827 10.976 -3.069 1.00 0.00 H new ATOM 0 HE2 LYS A 9 59.198 10.033 -5.569 1.00 0.00 H new ATOM 0 HE3 LYS A 9 58.757 11.666 -6.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 60.836 12.249 -5.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 60.385 11.986 -3.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 61.137 10.747 -4.701 1.00 0.00 H new ATOM 130 N LYS A 10 55.202 7.654 -4.085 1.00 0.00 N ATOM 131 CA LYS A 10 55.022 6.174 -4.188 1.00 0.00 C ATOM 132 C LYS A 10 56.303 5.454 -3.753 1.00 0.00 C ATOM 133 O LYS A 10 57.264 6.074 -3.342 1.00 0.00 O ATOM 134 CB LYS A 10 54.730 5.913 -5.667 1.00 0.00 C ATOM 135 CG LYS A 10 53.276 6.281 -5.975 1.00 0.00 C ATOM 136 CD LYS A 10 53.214 7.702 -6.539 1.00 0.00 C ATOM 137 CE LYS A 10 53.306 7.652 -8.065 1.00 0.00 C ATOM 138 NZ LYS A 10 52.590 8.872 -8.533 1.00 0.00 N ATOM 0 H LYS A 10 55.814 8.065 -4.790 1.00 0.00 H new ATOM 0 HA LYS A 10 54.221 5.808 -3.546 1.00 0.00 H new ATOM 0 HB2 LYS A 10 55.404 6.500 -6.291 1.00 0.00 H new ATOM 0 HB3 LYS A 10 54.909 4.864 -5.904 1.00 0.00 H new ATOM 0 HG2 LYS A 10 52.856 5.576 -6.692 1.00 0.00 H new ATOM 0 HG3 LYS A 10 52.673 6.212 -5.069 1.00 0.00 H new ATOM 0 HD2 LYS A 10 52.285 8.184 -6.236 1.00 0.00 H new ATOM 0 HD3 LYS A 10 54.030 8.301 -6.135 1.00 0.00 H new ATOM 0 HE2 LYS A 10 54.344 7.651 -8.398 1.00 0.00 H new ATOM 0 HE3 LYS A 10 52.844 6.747 -8.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 52.610 8.909 -9.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 51.603 8.842 -8.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 53.057 9.718 -8.148 1.00 0.00 H new ATOM 152 N VAL A 11 56.318 4.147 -3.845 1.00 0.00 N ATOM 153 CA VAL A 11 57.532 3.369 -3.440 1.00 0.00 C ATOM 154 C VAL A 11 57.578 2.046 -4.201 1.00 0.00 C ATOM 155 O VAL A 11 56.569 1.550 -4.657 1.00 0.00 O ATOM 156 CB VAL A 11 57.401 3.112 -1.933 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.585 4.429 -1.177 1.00 0.00 C ATOM 158 CG2 VAL A 11 56.029 2.512 -1.611 1.00 0.00 C ATOM 0 H VAL A 11 55.539 3.583 -4.184 1.00 0.00 H new ATOM 0 HA VAL A 11 58.449 3.914 -3.666 1.00 0.00 H new ATOM 0 HB VAL A 11 58.169 2.403 -1.624 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.492 4.250 -0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.572 4.837 -1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 11 56.821 5.140 -1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 11 55.952 2.336 -0.538 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.247 3.205 -1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.911 1.568 -2.143 1.00 0.00 H new ATOM 168 N VAL A 12 58.745 1.475 -4.337 1.00 0.00 N ATOM 169 CA VAL A 12 58.876 0.184 -5.071 1.00 0.00 C ATOM 170 C VAL A 12 58.813 -0.980 -4.058 1.00 0.00 C ATOM 171 O VAL A 12 58.710 -0.766 -2.866 1.00 0.00 O ATOM 172 CB VAL A 12 60.254 0.311 -5.793 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.129 -0.945 -5.671 1.00 0.00 C ATOM 174 CG2 VAL A 12 60.025 0.579 -7.277 1.00 0.00 C ATOM 0 H VAL A 12 59.619 1.851 -3.968 1.00 0.00 H new ATOM 0 HA VAL A 12 58.084 -0.019 -5.791 1.00 0.00 H new ATOM 0 HB VAL A 12 60.779 1.132 -5.304 1.00 0.00 H new ATOM 0 HG11 VAL A 12 62.071 -0.785 -6.196 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.330 -1.148 -4.619 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.608 -1.795 -6.111 1.00 0.00 H new ATOM 0 HG21 VAL A 12 60.986 0.668 -7.783 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.460 -0.245 -7.713 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.464 1.506 -7.397 1.00 0.00 H new ATOM 184 N ALA A 13 58.886 -2.198 -4.530 1.00 0.00 N ATOM 185 CA ALA A 13 58.847 -3.374 -3.613 1.00 0.00 C ATOM 186 C ALA A 13 60.179 -4.128 -3.668 1.00 0.00 C ATOM 187 O ALA A 13 60.752 -4.310 -4.726 1.00 0.00 O ATOM 188 CB ALA A 13 57.723 -4.253 -4.151 1.00 0.00 C ATOM 0 H ALA A 13 58.972 -2.429 -5.520 1.00 0.00 H new ATOM 0 HA ALA A 13 58.683 -3.084 -2.575 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.628 -5.143 -3.530 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.786 -3.697 -4.133 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.950 -4.548 -5.175 1.00 0.00 H new ATOM 194 N LEU A 14 60.672 -4.569 -2.539 1.00 0.00 N ATOM 195 CA LEU A 14 61.968 -5.316 -2.523 1.00 0.00 C ATOM 196 C LEU A 14 61.722 -6.805 -2.251 1.00 0.00 C ATOM 197 O LEU A 14 62.511 -7.649 -2.634 1.00 0.00 O ATOM 198 CB LEU A 14 62.782 -4.692 -1.389 1.00 0.00 C ATOM 199 CG LEU A 14 63.019 -3.209 -1.683 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.397 -2.484 -0.390 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.155 -3.067 -2.698 1.00 0.00 C ATOM 0 H LEU A 14 60.234 -4.444 -1.626 1.00 0.00 H new ATOM 0 HA LEU A 14 62.488 -5.249 -3.479 1.00 0.00 H new ATOM 0 HB2 LEU A 14 62.253 -4.805 -0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.736 -5.209 -1.285 1.00 0.00 H new ATOM 0 HG LEU A 14 62.108 -2.770 -2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 14 63.566 -1.428 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 14 62.588 -2.585 0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.307 -2.922 0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.325 -2.011 -2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 14 65.065 -3.507 -2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 14 63.885 -3.582 -3.620 1.00 0.00 H new ATOM 213 N TYR A 15 60.637 -7.131 -1.594 1.00 0.00 N ATOM 214 CA TYR A 15 60.340 -8.565 -1.296 1.00 0.00 C ATOM 215 C TYR A 15 58.830 -8.818 -1.343 1.00 0.00 C ATOM 216 O TYR A 15 58.043 -7.904 -1.508 1.00 0.00 O ATOM 217 CB TYR A 15 60.876 -8.799 0.116 1.00 0.00 C ATOM 218 CG TYR A 15 62.372 -8.587 0.130 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.209 -9.463 -0.571 1.00 0.00 C ATOM 220 CD2 TYR A 15 62.921 -7.515 0.844 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.595 -9.267 -0.558 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.306 -7.319 0.857 1.00 0.00 C ATOM 223 CZ TYR A 15 65.144 -8.195 0.156 1.00 0.00 C ATOM 224 OH TYR A 15 66.510 -8.002 0.169 1.00 0.00 O ATOM 0 H TYR A 15 59.944 -6.466 -1.251 1.00 0.00 H new ATOM 0 HA TYR A 15 60.797 -9.237 -2.023 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.395 -8.116 0.817 1.00 0.00 H new ATOM 0 HB3 TYR A 15 60.639 -9.811 0.443 1.00 0.00 H new ATOM 0 HD1 TYR A 15 62.786 -10.290 -1.122 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.275 -6.839 1.385 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.241 -9.943 -1.099 1.00 0.00 H new ATOM 0 HE2 TYR A 15 64.729 -6.492 1.408 1.00 0.00 H new ATOM 0 HH TYR A 15 66.724 -7.213 0.710 1.00 0.00 H new ATOM 234 N ASP A 16 58.426 -10.054 -1.201 1.00 0.00 N ATOM 235 CA ASP A 16 56.968 -10.385 -1.237 1.00 0.00 C ATOM 236 C ASP A 16 56.354 -10.243 0.160 1.00 0.00 C ATOM 237 O ASP A 16 57.044 -10.303 1.159 1.00 0.00 O ATOM 238 CB ASP A 16 56.904 -11.839 -1.706 1.00 0.00 C ATOM 239 CG ASP A 16 57.077 -11.893 -3.225 1.00 0.00 C ATOM 240 OD1 ASP A 16 57.894 -11.144 -3.736 1.00 0.00 O ATOM 241 OD2 ASP A 16 56.392 -12.685 -3.852 1.00 0.00 O ATOM 0 H ASP A 16 59.045 -10.852 -1.061 1.00 0.00 H new ATOM 0 HA ASP A 16 56.411 -9.718 -1.895 1.00 0.00 H new ATOM 0 HB2 ASP A 16 57.684 -12.424 -1.219 1.00 0.00 H new ATOM 0 HB3 ASP A 16 55.950 -12.282 -1.422 1.00 0.00 H new ATOM 246 N TYR A 17 55.060 -10.056 0.230 1.00 0.00 N ATOM 247 CA TYR A 17 54.383 -9.906 1.553 1.00 0.00 C ATOM 248 C TYR A 17 52.863 -10.006 1.361 1.00 0.00 C ATOM 249 O TYR A 17 52.137 -9.050 1.552 1.00 0.00 O ATOM 250 CB TYR A 17 54.809 -8.512 2.046 1.00 0.00 C ATOM 251 CG TYR A 17 54.040 -8.116 3.292 1.00 0.00 C ATOM 252 CD1 TYR A 17 54.297 -8.750 4.511 1.00 0.00 C ATOM 253 CD2 TYR A 17 53.078 -7.104 3.219 1.00 0.00 C ATOM 254 CE1 TYR A 17 53.589 -8.370 5.659 1.00 0.00 C ATOM 255 CE2 TYR A 17 52.368 -6.724 4.364 1.00 0.00 C ATOM 256 CZ TYR A 17 52.624 -7.357 5.584 1.00 0.00 C ATOM 257 OH TYR A 17 51.927 -6.983 6.714 1.00 0.00 O ATOM 0 H TYR A 17 54.440 -10.001 -0.578 1.00 0.00 H new ATOM 0 HA TYR A 17 54.654 -10.678 2.273 1.00 0.00 H new ATOM 0 HB2 TYR A 17 55.878 -8.509 2.258 1.00 0.00 H new ATOM 0 HB3 TYR A 17 54.638 -7.777 1.260 1.00 0.00 H new ATOM 0 HD1 TYR A 17 55.040 -9.532 4.568 1.00 0.00 H new ATOM 0 HD2 TYR A 17 52.882 -6.614 2.277 1.00 0.00 H new ATOM 0 HE1 TYR A 17 53.787 -8.858 6.602 1.00 0.00 H new ATOM 0 HE2 TYR A 17 51.624 -5.943 4.305 1.00 0.00 H new ATOM 0 HH TYR A 17 51.019 -6.712 6.464 1.00 0.00 H new ATOM 267 N MET A 18 52.384 -11.163 0.978 1.00 0.00 N ATOM 268 CA MET A 18 50.914 -11.341 0.765 1.00 0.00 C ATOM 269 C MET A 18 50.147 -11.069 2.073 1.00 0.00 C ATOM 270 O MET A 18 50.732 -11.102 3.137 1.00 0.00 O ATOM 271 CB MET A 18 50.737 -12.799 0.323 1.00 0.00 C ATOM 272 CG MET A 18 51.266 -13.746 1.407 1.00 0.00 C ATOM 273 SD MET A 18 51.905 -15.255 0.637 1.00 0.00 S ATOM 274 CE MET A 18 52.091 -16.223 2.155 1.00 0.00 C ATOM 0 H MET A 18 52.949 -11.994 0.803 1.00 0.00 H new ATOM 0 HA MET A 18 50.523 -10.648 0.020 1.00 0.00 H new ATOM 0 HB2 MET A 18 49.684 -13.004 0.132 1.00 0.00 H new ATOM 0 HB3 MET A 18 51.269 -12.971 -0.612 1.00 0.00 H new ATOM 0 HG2 MET A 18 52.054 -13.256 1.979 1.00 0.00 H new ATOM 0 HG3 MET A 18 50.469 -13.993 2.109 1.00 0.00 H new ATOM 0 HE1 MET A 18 52.481 -17.211 1.911 1.00 0.00 H new ATOM 0 HE2 MET A 18 52.783 -15.716 2.827 1.00 0.00 H new ATOM 0 HE3 MET A 18 51.121 -16.325 2.642 1.00 0.00 H new ATOM 284 N PRO A 19 48.857 -10.795 1.964 1.00 0.00 N ATOM 285 CA PRO A 19 48.046 -10.511 3.170 1.00 0.00 C ATOM 286 C PRO A 19 47.900 -11.763 4.040 1.00 0.00 C ATOM 287 O PRO A 19 47.993 -12.878 3.562 1.00 0.00 O ATOM 288 CB PRO A 19 46.694 -10.091 2.579 1.00 0.00 C ATOM 289 CG PRO A 19 46.786 -10.158 1.043 1.00 0.00 C ATOM 290 CD PRO A 19 48.142 -10.751 0.658 1.00 0.00 C ATOM 0 HA PRO A 19 48.487 -9.755 3.819 1.00 0.00 H new ATOM 0 HB2 PRO A 19 45.903 -10.749 2.939 1.00 0.00 H new ATOM 0 HB3 PRO A 19 46.439 -9.081 2.899 1.00 0.00 H new ATOM 0 HG2 PRO A 19 45.978 -10.771 0.643 1.00 0.00 H new ATOM 0 HG3 PRO A 19 46.674 -9.162 0.614 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.041 -11.743 0.217 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.664 -10.130 -0.070 1.00 0.00 H new ATOM 298 N MET A 20 47.666 -11.580 5.314 1.00 0.00 N ATOM 299 CA MET A 20 47.500 -12.748 6.230 1.00 0.00 C ATOM 300 C MET A 20 46.049 -12.820 6.705 1.00 0.00 C ATOM 301 O MET A 20 45.418 -13.860 6.657 1.00 0.00 O ATOM 302 CB MET A 20 48.434 -12.470 7.412 1.00 0.00 C ATOM 303 CG MET A 20 49.873 -12.326 6.912 1.00 0.00 C ATOM 304 SD MET A 20 51.022 -12.899 8.188 1.00 0.00 S ATOM 305 CE MET A 20 51.941 -14.068 7.158 1.00 0.00 C ATOM 0 H MET A 20 47.582 -10.667 5.761 1.00 0.00 H new ATOM 0 HA MET A 20 47.736 -13.695 5.745 1.00 0.00 H new ATOM 0 HB2 MET A 20 48.125 -11.560 7.925 1.00 0.00 H new ATOM 0 HB3 MET A 20 48.370 -13.282 8.137 1.00 0.00 H new ATOM 0 HG2 MET A 20 50.011 -12.905 5.999 1.00 0.00 H new ATOM 0 HG3 MET A 20 50.080 -11.285 6.664 1.00 0.00 H new ATOM 0 HE1 MET A 20 52.717 -14.547 7.755 1.00 0.00 H new ATOM 0 HE2 MET A 20 51.260 -14.827 6.772 1.00 0.00 H new ATOM 0 HE3 MET A 20 52.401 -13.536 6.325 1.00 0.00 H new ATOM 315 N ASN A 21 45.520 -11.713 7.157 1.00 0.00 N ATOM 316 CA ASN A 21 44.105 -11.689 7.634 1.00 0.00 C ATOM 317 C ASN A 21 43.279 -10.734 6.771 1.00 0.00 C ATOM 318 O ASN A 21 42.340 -11.134 6.109 1.00 0.00 O ATOM 319 CB ASN A 21 44.182 -11.182 9.075 1.00 0.00 C ATOM 320 CG ASN A 21 42.784 -11.196 9.696 1.00 0.00 C ATOM 321 OD1 ASN A 21 42.130 -12.220 9.727 1.00 0.00 O ATOM 322 ND2 ASN A 21 42.294 -10.095 10.195 1.00 0.00 N ATOM 0 H ASN A 21 46.010 -10.820 7.217 1.00 0.00 H new ATOM 0 HA ASN A 21 43.628 -12.667 7.573 1.00 0.00 H new ATOM 0 HB2 ASN A 21 44.856 -11.810 9.657 1.00 0.00 H new ATOM 0 HB3 ASN A 21 44.590 -10.172 9.095 1.00 0.00 H new ATOM 0 HD21 ASN A 21 41.363 -10.094 10.611 1.00 0.00 H new ATOM 0 HD22 ASN A 21 42.842 -9.235 10.169 1.00 0.00 H new ATOM 329 N ALA A 22 43.630 -9.475 6.774 1.00 0.00 N ATOM 330 CA ALA A 22 42.879 -8.476 5.955 1.00 0.00 C ATOM 331 C ALA A 22 43.636 -7.146 5.916 1.00 0.00 C ATOM 332 O ALA A 22 43.718 -6.500 4.888 1.00 0.00 O ATOM 333 CB ALA A 22 41.533 -8.307 6.662 1.00 0.00 C ATOM 0 H ALA A 22 44.409 -9.093 7.311 1.00 0.00 H new ATOM 0 HA ALA A 22 42.756 -8.802 4.922 1.00 0.00 H new ATOM 0 HB1 ALA A 22 40.924 -7.586 6.117 1.00 0.00 H new ATOM 0 HB2 ALA A 22 41.017 -9.266 6.695 1.00 0.00 H new ATOM 0 HB3 ALA A 22 41.698 -7.948 7.678 1.00 0.00 H new ATOM 339 N ASN A 23 44.194 -6.741 7.028 1.00 0.00 N ATOM 340 CA ASN A 23 44.958 -5.453 7.064 1.00 0.00 C ATOM 341 C ASN A 23 46.116 -5.483 6.088 1.00 0.00 C ATOM 342 O ASN A 23 46.288 -4.595 5.277 1.00 0.00 O ATOM 343 CB ASN A 23 45.530 -5.344 8.468 1.00 0.00 C ATOM 344 CG ASN A 23 44.568 -4.563 9.365 1.00 0.00 C ATOM 345 OD1 ASN A 23 44.967 -3.633 10.037 1.00 0.00 O ATOM 346 ND2 ASN A 23 43.309 -4.904 9.404 1.00 0.00 N ATOM 0 H ASN A 23 44.155 -7.245 7.914 1.00 0.00 H new ATOM 0 HA ASN A 23 44.307 -4.619 6.801 1.00 0.00 H new ATOM 0 HB2 ASN A 23 45.697 -6.339 8.880 1.00 0.00 H new ATOM 0 HB3 ASN A 23 46.498 -4.845 8.437 1.00 0.00 H new ATOM 0 HD21 ASN A 23 42.659 -4.390 9.999 1.00 0.00 H new ATOM 0 HD22 ASN A 23 42.974 -5.685 8.840 1.00 0.00 H new ATOM 353 N ASP A 24 46.939 -6.486 6.207 1.00 0.00 N ATOM 354 CA ASP A 24 48.146 -6.593 5.341 1.00 0.00 C ATOM 355 C ASP A 24 47.813 -6.341 3.863 1.00 0.00 C ATOM 356 O ASP A 24 46.746 -6.681 3.389 1.00 0.00 O ATOM 357 CB ASP A 24 48.662 -8.017 5.547 1.00 0.00 C ATOM 358 CG ASP A 24 49.135 -8.190 6.995 1.00 0.00 C ATOM 359 OD1 ASP A 24 49.602 -7.218 7.568 1.00 0.00 O ATOM 360 OD2 ASP A 24 49.021 -9.292 7.505 1.00 0.00 O ATOM 0 H ASP A 24 46.825 -7.247 6.877 1.00 0.00 H new ATOM 0 HA ASP A 24 48.890 -5.842 5.607 1.00 0.00 H new ATOM 0 HB2 ASP A 24 47.874 -8.736 5.323 1.00 0.00 H new ATOM 0 HB3 ASP A 24 49.483 -8.220 4.859 1.00 0.00 H new ATOM 365 N LEU A 25 48.722 -5.735 3.145 1.00 0.00 N ATOM 366 CA LEU A 25 48.477 -5.438 1.705 1.00 0.00 C ATOM 367 C LEU A 25 49.208 -6.467 0.835 1.00 0.00 C ATOM 368 O LEU A 25 50.193 -7.050 1.249 1.00 0.00 O ATOM 369 CB LEU A 25 49.034 -4.020 1.493 1.00 0.00 C ATOM 370 CG LEU A 25 48.831 -3.599 0.030 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.342 -3.350 -0.236 1.00 0.00 C ATOM 372 CD2 LEU A 25 49.609 -2.309 -0.250 1.00 0.00 C ATOM 0 H LEU A 25 49.630 -5.431 3.498 1.00 0.00 H new ATOM 0 HA LEU A 25 47.423 -5.492 1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.530 -3.318 2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.094 -3.993 1.746 1.00 0.00 H new ATOM 0 HG LEU A 25 49.192 -4.395 -0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.203 -3.052 -1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 25 46.780 -4.264 -0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 25 46.983 -2.557 0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.462 -2.014 -1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.249 -1.517 0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 25 50.670 -2.477 -0.067 1.00 0.00 H new ATOM 384 N GLN A 26 48.721 -6.708 -0.357 1.00 0.00 N ATOM 385 CA GLN A 26 49.373 -7.717 -1.248 1.00 0.00 C ATOM 386 C GLN A 26 50.547 -7.098 -2.008 1.00 0.00 C ATOM 387 O GLN A 26 50.398 -6.618 -3.116 1.00 0.00 O ATOM 388 CB GLN A 26 48.276 -8.153 -2.220 1.00 0.00 C ATOM 389 CG GLN A 26 48.791 -9.302 -3.090 1.00 0.00 C ATOM 390 CD GLN A 26 47.613 -9.974 -3.797 1.00 0.00 C ATOM 391 OE1 GLN A 26 46.615 -9.340 -4.077 1.00 0.00 O ATOM 392 NE2 GLN A 26 47.687 -11.241 -4.101 1.00 0.00 N ATOM 0 H GLN A 26 47.900 -6.249 -0.752 1.00 0.00 H new ATOM 0 HA GLN A 26 49.780 -8.555 -0.682 1.00 0.00 H new ATOM 0 HB2 GLN A 26 47.391 -8.469 -1.668 1.00 0.00 H new ATOM 0 HB3 GLN A 26 47.977 -7.314 -2.848 1.00 0.00 H new ATOM 0 HG2 GLN A 26 49.503 -8.925 -3.824 1.00 0.00 H new ATOM 0 HG3 GLN A 26 49.322 -10.028 -2.475 1.00 0.00 H new ATOM 0 HE21 GLN A 26 48.525 -11.774 -3.866 1.00 0.00 H new ATOM 0 HE22 GLN A 26 46.907 -11.699 -4.573 1.00 0.00 H new ATOM 401 N LEU A 27 51.713 -7.114 -1.418 1.00 0.00 N ATOM 402 CA LEU A 27 52.909 -6.539 -2.092 1.00 0.00 C ATOM 403 C LEU A 27 53.622 -7.609 -2.926 1.00 0.00 C ATOM 404 O LEU A 27 53.200 -8.746 -3.002 1.00 0.00 O ATOM 405 CB LEU A 27 53.809 -6.063 -0.952 1.00 0.00 C ATOM 406 CG LEU A 27 53.370 -4.671 -0.502 1.00 0.00 C ATOM 407 CD1 LEU A 27 52.405 -4.796 0.672 1.00 0.00 C ATOM 408 CD2 LEU A 27 54.592 -3.860 -0.069 1.00 0.00 C ATOM 0 H LEU A 27 51.887 -7.504 -0.492 1.00 0.00 H new ATOM 0 HA LEU A 27 52.647 -5.731 -2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 27 53.755 -6.761 -0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 27 54.848 -6.040 -1.281 1.00 0.00 H new ATOM 0 HG LEU A 27 52.874 -4.165 -1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 27 52.092 -3.803 0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 27 51.531 -5.370 0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 27 52.901 -5.305 1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 27 54.275 -2.868 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 27 55.090 -4.366 0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.283 -3.767 -0.907 1.00 0.00 H new ATOM 420 N ARG A 28 54.708 -7.236 -3.546 1.00 0.00 N ATOM 421 CA ARG A 28 55.498 -8.188 -4.390 1.00 0.00 C ATOM 422 C ARG A 28 56.743 -7.469 -4.922 1.00 0.00 C ATOM 423 O ARG A 28 56.655 -6.396 -5.486 1.00 0.00 O ATOM 424 CB ARG A 28 54.574 -8.609 -5.544 1.00 0.00 C ATOM 425 CG ARG A 28 54.088 -7.374 -6.311 1.00 0.00 C ATOM 426 CD ARG A 28 52.610 -7.545 -6.681 1.00 0.00 C ATOM 427 NE ARG A 28 52.503 -7.052 -8.083 1.00 0.00 N ATOM 428 CZ ARG A 28 51.634 -7.584 -8.897 1.00 0.00 C ATOM 429 NH1 ARG A 28 51.790 -8.814 -9.306 1.00 0.00 N ATOM 430 NH2 ARG A 28 50.607 -6.888 -9.302 1.00 0.00 N ATOM 0 H ARG A 28 55.092 -6.292 -3.504 1.00 0.00 H new ATOM 0 HA ARG A 28 55.831 -9.061 -3.829 1.00 0.00 H new ATOM 0 HB2 ARG A 28 55.106 -9.279 -6.219 1.00 0.00 H new ATOM 0 HB3 ARG A 28 53.720 -9.162 -5.153 1.00 0.00 H new ATOM 0 HG2 ARG A 28 54.219 -6.480 -5.701 1.00 0.00 H new ATOM 0 HG3 ARG A 28 54.685 -7.235 -7.212 1.00 0.00 H new ATOM 0 HD2 ARG A 28 52.302 -8.588 -6.605 1.00 0.00 H new ATOM 0 HD3 ARG A 28 51.967 -6.973 -6.012 1.00 0.00 H new ATOM 0 HE ARG A 28 53.110 -6.298 -8.406 1.00 0.00 H new ATOM 0 HH11 ARG A 28 52.592 -9.359 -8.989 1.00 0.00 H new ATOM 0 HH12 ARG A 28 51.110 -9.230 -9.943 1.00 0.00 H new ATOM 0 HH21 ARG A 28 50.484 -5.927 -8.982 1.00 0.00 H new ATOM 0 HH22 ARG A 28 49.928 -7.305 -9.939 1.00 0.00 H new ATOM 444 N LYS A 29 57.902 -8.045 -4.724 1.00 0.00 N ATOM 445 CA LYS A 29 59.174 -7.393 -5.188 1.00 0.00 C ATOM 446 C LYS A 29 59.104 -6.983 -6.665 1.00 0.00 C ATOM 447 O LYS A 29 58.597 -7.704 -7.502 1.00 0.00 O ATOM 448 CB LYS A 29 60.263 -8.448 -4.972 1.00 0.00 C ATOM 449 CG LYS A 29 61.630 -7.864 -5.337 1.00 0.00 C ATOM 450 CD LYS A 29 62.719 -8.903 -5.068 1.00 0.00 C ATOM 451 CE LYS A 29 62.812 -9.866 -6.254 1.00 0.00 C ATOM 452 NZ LYS A 29 63.157 -11.184 -5.652 1.00 0.00 N ATOM 0 H LYS A 29 58.027 -8.944 -4.259 1.00 0.00 H new ATOM 0 HA LYS A 29 59.369 -6.473 -4.637 1.00 0.00 H new ATOM 0 HB2 LYS A 29 60.263 -8.776 -3.933 1.00 0.00 H new ATOM 0 HB3 LYS A 29 60.058 -9.327 -5.584 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.643 -7.572 -6.387 1.00 0.00 H new ATOM 0 HG3 LYS A 29 61.820 -6.964 -4.753 1.00 0.00 H new ATOM 0 HD2 LYS A 29 63.678 -8.408 -4.912 1.00 0.00 H new ATOM 0 HD3 LYS A 29 62.493 -9.454 -4.155 1.00 0.00 H new ATOM 0 HE2 LYS A 29 61.869 -9.915 -6.798 1.00 0.00 H new ATOM 0 HE3 LYS A 29 63.573 -9.545 -6.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 63.239 -11.898 -6.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 64.063 -11.108 -5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 62.411 -11.467 -4.985 1.00 0.00 H new ATOM 466 N GLY A 30 59.622 -5.819 -6.976 1.00 0.00 N ATOM 467 CA GLY A 30 59.612 -5.327 -8.385 1.00 0.00 C ATOM 468 C GLY A 30 58.406 -4.416 -8.605 1.00 0.00 C ATOM 469 O GLY A 30 58.461 -3.483 -9.385 1.00 0.00 O ATOM 0 H GLY A 30 60.055 -5.184 -6.305 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.533 -4.784 -8.597 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.573 -6.170 -9.074 1.00 0.00 H new ATOM 473 N ASP A 31 57.321 -4.674 -7.922 1.00 0.00 N ATOM 474 CA ASP A 31 56.114 -3.821 -8.085 1.00 0.00 C ATOM 475 C ASP A 31 56.224 -2.604 -7.170 1.00 0.00 C ATOM 476 O ASP A 31 56.972 -2.612 -6.214 1.00 0.00 O ATOM 477 CB ASP A 31 54.939 -4.704 -7.671 1.00 0.00 C ATOM 478 CG ASP A 31 53.629 -3.942 -7.879 1.00 0.00 C ATOM 479 OD1 ASP A 31 53.385 -3.518 -8.997 1.00 0.00 O ATOM 480 OD2 ASP A 31 52.892 -3.796 -6.919 1.00 0.00 O ATOM 0 H ASP A 31 57.222 -5.441 -7.257 1.00 0.00 H new ATOM 0 HA ASP A 31 55.995 -3.452 -9.104 1.00 0.00 H new ATOM 0 HB2 ASP A 31 54.935 -5.622 -8.259 1.00 0.00 H new ATOM 0 HB3 ASP A 31 55.040 -4.996 -6.626 1.00 0.00 H new ATOM 485 N GLU A 32 55.493 -1.562 -7.454 1.00 0.00 N ATOM 486 CA GLU A 32 55.566 -0.341 -6.591 1.00 0.00 C ATOM 487 C GLU A 32 54.167 -0.016 -6.070 1.00 0.00 C ATOM 488 O GLU A 32 53.176 -0.453 -6.626 1.00 0.00 O ATOM 489 CB GLU A 32 56.106 0.798 -7.479 1.00 0.00 C ATOM 490 CG GLU A 32 57.185 0.286 -8.447 1.00 0.00 C ATOM 491 CD GLU A 32 56.549 -0.026 -9.803 1.00 0.00 C ATOM 492 OE1 GLU A 32 55.413 -0.471 -9.814 1.00 0.00 O ATOM 493 OE2 GLU A 32 57.208 0.186 -10.808 1.00 0.00 O ATOM 0 H GLU A 32 54.849 -1.499 -8.243 1.00 0.00 H new ATOM 0 HA GLU A 32 56.218 -0.485 -5.730 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.286 1.241 -8.045 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.522 1.586 -6.851 1.00 0.00 H new ATOM 0 HG2 GLU A 32 57.968 1.035 -8.565 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.658 -0.608 -8.041 1.00 0.00 H new ATOM 500 N TYR A 33 54.076 0.706 -4.983 1.00 0.00 N ATOM 501 CA TYR A 33 52.737 1.012 -4.397 1.00 0.00 C ATOM 502 C TYR A 33 52.533 2.516 -4.220 1.00 0.00 C ATOM 503 O TYR A 33 53.322 3.329 -4.662 1.00 0.00 O ATOM 504 CB TYR A 33 52.738 0.351 -3.012 1.00 0.00 C ATOM 505 CG TYR A 33 53.390 -1.014 -3.052 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.701 -2.109 -3.582 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.690 -1.171 -2.560 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.313 -3.365 -3.621 1.00 0.00 C ATOM 509 CE2 TYR A 33 55.302 -2.425 -2.597 1.00 0.00 C ATOM 510 CZ TYR A 33 54.614 -3.524 -3.126 1.00 0.00 C ATOM 511 OH TYR A 33 55.217 -4.764 -3.166 1.00 0.00 O ATOM 0 H TYR A 33 54.870 1.097 -4.476 1.00 0.00 H new ATOM 0 HA TYR A 33 51.942 0.649 -5.048 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.267 0.988 -2.304 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.714 0.256 -2.652 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.697 -1.985 -3.961 1.00 0.00 H new ATOM 0 HD2 TYR A 33 55.220 -0.323 -2.152 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.784 -4.212 -4.032 1.00 0.00 H new ATOM 0 HE2 TYR A 33 56.306 -2.548 -2.218 1.00 0.00 H new ATOM 0 HH TYR A 33 55.880 -4.829 -2.447 1.00 0.00 H new ATOM 521 N PHE A 34 51.474 2.874 -3.541 1.00 0.00 N ATOM 522 CA PHE A 34 51.181 4.312 -3.277 1.00 0.00 C ATOM 523 C PHE A 34 51.193 4.562 -1.770 1.00 0.00 C ATOM 524 O PHE A 34 50.523 3.881 -1.019 1.00 0.00 O ATOM 525 CB PHE A 34 49.788 4.550 -3.850 1.00 0.00 C ATOM 526 CG PHE A 34 49.908 5.001 -5.286 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.286 4.086 -6.276 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.650 6.334 -5.625 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.404 4.505 -7.607 1.00 0.00 C ATOM 530 CE2 PHE A 34 49.769 6.752 -6.956 1.00 0.00 C ATOM 531 CZ PHE A 34 50.146 5.838 -7.947 1.00 0.00 C ATOM 0 H PHE A 34 50.792 2.222 -3.154 1.00 0.00 H new ATOM 0 HA PHE A 34 51.916 4.980 -3.726 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.198 3.635 -3.792 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.265 5.305 -3.263 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.486 3.058 -6.013 1.00 0.00 H new ATOM 0 HD2 PHE A 34 49.359 7.040 -4.861 1.00 0.00 H new ATOM 0 HE1 PHE A 34 50.694 3.799 -8.371 1.00 0.00 H new ATOM 0 HE2 PHE A 34 49.570 7.781 -7.218 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.238 6.161 -8.973 1.00 0.00 H new ATOM 541 N ILE A 35 51.966 5.517 -1.324 1.00 0.00 N ATOM 542 CA ILE A 35 52.046 5.790 0.144 1.00 0.00 C ATOM 543 C ILE A 35 51.110 6.924 0.565 1.00 0.00 C ATOM 544 O ILE A 35 51.175 8.026 0.055 1.00 0.00 O ATOM 545 CB ILE A 35 53.505 6.187 0.404 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.459 5.081 -0.078 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.721 6.424 1.902 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.144 3.757 0.625 1.00 0.00 C ATOM 0 H ILE A 35 52.545 6.119 -1.910 1.00 0.00 H new ATOM 0 HA ILE A 35 51.741 4.915 0.718 1.00 0.00 H new ATOM 0 HB ILE A 35 53.716 7.103 -0.147 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.367 4.958 -1.157 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.491 5.370 0.123 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.759 6.706 2.080 1.00 0.00 H new ATOM 0 HG22 ILE A 35 53.064 7.225 2.242 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.494 5.510 2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 35 54.829 2.986 0.272 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.260 3.880 1.702 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.119 3.462 0.402 1.00 0.00 H new ATOM 560 N LEU A 36 50.271 6.657 1.529 1.00 0.00 N ATOM 561 CA LEU A 36 49.348 7.706 2.049 1.00 0.00 C ATOM 562 C LEU A 36 49.892 8.202 3.394 1.00 0.00 C ATOM 563 O LEU A 36 49.731 9.349 3.762 1.00 0.00 O ATOM 564 CB LEU A 36 47.986 7.011 2.238 1.00 0.00 C ATOM 565 CG LEU A 36 47.369 6.543 0.896 1.00 0.00 C ATOM 566 CD1 LEU A 36 47.611 7.557 -0.233 1.00 0.00 C ATOM 567 CD2 LEU A 36 47.969 5.191 0.504 1.00 0.00 C ATOM 0 H LEU A 36 50.185 5.748 1.983 1.00 0.00 H new ATOM 0 HA LEU A 36 49.256 8.561 1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 36 48.108 6.152 2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.297 7.696 2.732 1.00 0.00 H new ATOM 0 HG LEU A 36 46.292 6.454 1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 36 47.162 7.189 -1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 36 47.160 8.513 0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 36 48.683 7.690 -0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 36 47.536 4.861 -0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 36 49.049 5.291 0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 36 47.751 4.457 1.280 1.00 0.00 H new ATOM 579 N GLU A 37 50.550 7.331 4.118 1.00 0.00 N ATOM 580 CA GLU A 37 51.136 7.704 5.437 1.00 0.00 C ATOM 581 C GLU A 37 52.079 6.584 5.885 1.00 0.00 C ATOM 582 O GLU A 37 52.106 5.526 5.283 1.00 0.00 O ATOM 583 CB GLU A 37 49.944 7.840 6.395 1.00 0.00 C ATOM 584 CG GLU A 37 49.153 6.527 6.442 1.00 0.00 C ATOM 585 CD GLU A 37 47.944 6.692 7.363 1.00 0.00 C ATOM 586 OE1 GLU A 37 48.135 7.133 8.485 1.00 0.00 O ATOM 587 OE2 GLU A 37 46.848 6.376 6.932 1.00 0.00 O ATOM 0 H GLU A 37 50.707 6.361 3.843 1.00 0.00 H new ATOM 0 HA GLU A 37 51.710 8.630 5.404 1.00 0.00 H new ATOM 0 HB2 GLU A 37 50.298 8.097 7.394 1.00 0.00 H new ATOM 0 HB3 GLU A 37 49.296 8.653 6.068 1.00 0.00 H new ATOM 0 HG2 GLU A 37 48.825 6.252 5.440 1.00 0.00 H new ATOM 0 HG3 GLU A 37 49.790 5.719 6.802 1.00 0.00 H new ATOM 594 N GLU A 38 52.843 6.789 6.930 1.00 0.00 N ATOM 595 CA GLU A 38 53.764 5.713 7.393 1.00 0.00 C ATOM 596 C GLU A 38 53.551 5.425 8.874 1.00 0.00 C ATOM 597 O GLU A 38 54.395 4.846 9.529 1.00 0.00 O ATOM 598 CB GLU A 38 55.180 6.241 7.133 1.00 0.00 C ATOM 599 CG GLU A 38 55.391 7.562 7.880 1.00 0.00 C ATOM 600 CD GLU A 38 56.875 7.934 7.849 1.00 0.00 C ATOM 601 OE1 GLU A 38 57.405 8.080 6.760 1.00 0.00 O ATOM 602 OE2 GLU A 38 57.454 8.067 8.914 1.00 0.00 O ATOM 0 H GLU A 38 52.867 7.650 7.477 1.00 0.00 H new ATOM 0 HA GLU A 38 53.587 4.775 6.867 1.00 0.00 H new ATOM 0 HB2 GLU A 38 55.917 5.507 7.460 1.00 0.00 H new ATOM 0 HB3 GLU A 38 55.331 6.390 6.064 1.00 0.00 H new ATOM 0 HG2 GLU A 38 54.797 8.352 7.419 1.00 0.00 H new ATOM 0 HG3 GLU A 38 55.050 7.468 8.911 1.00 0.00 H new ATOM 609 N SER A 39 52.413 5.810 9.396 1.00 0.00 N ATOM 610 CA SER A 39 52.095 5.562 10.839 1.00 0.00 C ATOM 611 C SER A 39 53.281 5.935 11.739 1.00 0.00 C ATOM 612 O SER A 39 54.232 6.556 11.300 1.00 0.00 O ATOM 613 CB SER A 39 51.822 4.060 10.908 1.00 0.00 C ATOM 614 OG SER A 39 50.477 3.809 10.522 1.00 0.00 O ATOM 0 H SER A 39 51.680 6.293 8.877 1.00 0.00 H new ATOM 0 HA SER A 39 51.253 6.162 11.185 1.00 0.00 H new ATOM 0 HB2 SER A 39 52.507 3.524 10.251 1.00 0.00 H new ATOM 0 HB3 SER A 39 51.997 3.693 11.919 1.00 0.00 H new ATOM 0 HG SER A 39 50.299 2.846 10.563 1.00 0.00 H new ATOM 620 N ASN A 40 53.244 5.534 12.981 1.00 0.00 N ATOM 621 CA ASN A 40 54.380 5.826 13.900 1.00 0.00 C ATOM 622 C ASN A 40 55.312 4.609 13.952 1.00 0.00 C ATOM 623 O ASN A 40 55.883 4.296 14.979 1.00 0.00 O ATOM 624 CB ASN A 40 53.737 6.074 15.265 1.00 0.00 C ATOM 625 CG ASN A 40 53.312 7.540 15.370 1.00 0.00 C ATOM 626 OD1 ASN A 40 53.940 8.409 14.800 1.00 0.00 O ATOM 627 ND2 ASN A 40 52.263 7.853 16.082 1.00 0.00 N ATOM 0 H ASN A 40 52.472 5.015 13.400 1.00 0.00 H new ATOM 0 HA ASN A 40 54.975 6.681 13.580 1.00 0.00 H new ATOM 0 HB2 ASN A 40 52.872 5.423 15.395 1.00 0.00 H new ATOM 0 HB3 ASN A 40 54.441 5.831 16.060 1.00 0.00 H new ATOM 0 HD21 ASN A 40 51.971 8.827 16.159 1.00 0.00 H new ATOM 0 HD22 ASN A 40 51.735 7.123 16.561 1.00 0.00 H new ATOM 634 N LEU A 41 55.461 3.914 12.844 1.00 0.00 N ATOM 635 CA LEU A 41 56.347 2.706 12.820 1.00 0.00 C ATOM 636 C LEU A 41 56.711 2.345 11.360 1.00 0.00 C ATOM 637 O LEU A 41 56.063 2.816 10.446 1.00 0.00 O ATOM 638 CB LEU A 41 55.533 1.589 13.503 1.00 0.00 C ATOM 639 CG LEU A 41 54.176 1.399 12.815 1.00 0.00 C ATOM 640 CD1 LEU A 41 53.792 -0.081 12.849 1.00 0.00 C ATOM 641 CD2 LEU A 41 53.107 2.200 13.559 1.00 0.00 C ATOM 0 H LEU A 41 55.007 4.133 11.957 1.00 0.00 H new ATOM 0 HA LEU A 41 57.292 2.868 13.338 1.00 0.00 H new ATOM 0 HB2 LEU A 41 56.094 0.655 13.473 1.00 0.00 H new ATOM 0 HB3 LEU A 41 55.381 1.836 14.554 1.00 0.00 H new ATOM 0 HG LEU A 41 54.246 1.744 11.783 1.00 0.00 H new ATOM 0 HD11 LEU A 41 52.827 -0.218 12.360 1.00 0.00 H new ATOM 0 HD12 LEU A 41 54.550 -0.666 12.327 1.00 0.00 H new ATOM 0 HD13 LEU A 41 53.725 -0.416 13.884 1.00 0.00 H new ATOM 0 HD21 LEU A 41 52.143 2.064 13.069 1.00 0.00 H new ATOM 0 HD22 LEU A 41 53.042 1.851 14.590 1.00 0.00 H new ATOM 0 HD23 LEU A 41 53.372 3.257 13.550 1.00 0.00 H new ATOM 653 N PRO A 42 57.753 1.539 11.165 1.00 0.00 N ATOM 654 CA PRO A 42 58.184 1.170 9.787 1.00 0.00 C ATOM 655 C PRO A 42 57.028 0.638 8.926 1.00 0.00 C ATOM 656 O PRO A 42 57.057 0.758 7.715 1.00 0.00 O ATOM 657 CB PRO A 42 59.244 0.092 10.038 1.00 0.00 C ATOM 658 CG PRO A 42 59.397 -0.106 11.557 1.00 0.00 C ATOM 659 CD PRO A 42 58.552 0.950 12.278 1.00 0.00 C ATOM 0 HA PRO A 42 58.557 2.025 9.224 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.951 -0.844 9.563 1.00 0.00 H new ATOM 0 HB3 PRO A 42 60.196 0.389 9.598 1.00 0.00 H new ATOM 0 HG2 PRO A 42 59.074 -1.107 11.842 1.00 0.00 H new ATOM 0 HG3 PRO A 42 60.444 -0.014 11.846 1.00 0.00 H new ATOM 0 HD2 PRO A 42 57.916 0.507 13.044 1.00 0.00 H new ATOM 0 HD3 PRO A 42 59.172 1.698 12.772 1.00 0.00 H new ATOM 667 N TRP A 43 56.014 0.065 9.525 1.00 0.00 N ATOM 668 CA TRP A 43 54.868 -0.452 8.713 1.00 0.00 C ATOM 669 C TRP A 43 53.968 0.723 8.321 1.00 0.00 C ATOM 670 O TRP A 43 53.611 1.540 9.148 1.00 0.00 O ATOM 671 CB TRP A 43 54.133 -1.427 9.630 1.00 0.00 C ATOM 672 CG TRP A 43 55.027 -2.570 9.964 1.00 0.00 C ATOM 673 CD1 TRP A 43 55.899 -2.570 10.981 1.00 0.00 C ATOM 674 CD2 TRP A 43 55.152 -3.867 9.312 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.561 -3.783 11.010 1.00 0.00 N ATOM 676 CE2 TRP A 43 56.135 -4.619 9.998 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.516 -4.461 8.206 1.00 0.00 C ATOM 678 CZ2 TRP A 43 56.475 -5.913 9.602 1.00 0.00 C ATOM 679 CZ3 TRP A 43 54.856 -5.763 7.806 1.00 0.00 C ATOM 680 CH2 TRP A 43 55.834 -6.488 8.502 1.00 0.00 C ATOM 0 H TRP A 43 55.929 -0.067 10.533 1.00 0.00 H new ATOM 0 HA TRP A 43 55.183 -0.944 7.793 1.00 0.00 H new ATOM 0 HB2 TRP A 43 53.820 -0.919 10.542 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.229 -1.790 9.141 1.00 0.00 H new ATOM 0 HD1 TRP A 43 56.059 -1.753 11.669 1.00 0.00 H new ATOM 0 HE1 TRP A 43 57.276 -4.030 11.695 1.00 0.00 H new ATOM 0 HE3 TRP A 43 53.762 -3.912 7.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 57.229 -6.466 10.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.361 -6.209 6.956 1.00 0.00 H new ATOM 0 HH2 TRP A 43 56.091 -7.489 8.188 1.00 0.00 H new ATOM 691 N TRP A 44 53.633 0.833 7.059 1.00 0.00 N ATOM 692 CA TRP A 44 52.793 1.977 6.602 1.00 0.00 C ATOM 693 C TRP A 44 51.372 1.538 6.260 1.00 0.00 C ATOM 694 O TRP A 44 50.963 0.426 6.522 1.00 0.00 O ATOM 695 CB TRP A 44 53.474 2.454 5.317 1.00 0.00 C ATOM 696 CG TRP A 44 54.890 2.884 5.555 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.460 3.180 6.750 1.00 0.00 C ATOM 698 CD2 TRP A 44 55.918 3.074 4.553 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.781 3.541 6.531 1.00 0.00 N ATOM 700 CE2 TRP A 44 57.108 3.489 5.189 1.00 0.00 C ATOM 701 CE3 TRP A 44 55.922 2.923 3.159 1.00 0.00 C ATOM 702 CZ2 TRP A 44 58.270 3.748 4.458 1.00 0.00 C ATOM 703 CZ3 TRP A 44 57.080 3.179 2.420 1.00 0.00 C ATOM 704 CH2 TRP A 44 58.256 3.592 3.066 1.00 0.00 C ATOM 0 H TRP A 44 53.907 0.178 6.327 1.00 0.00 H new ATOM 0 HA TRP A 44 52.714 2.739 7.378 1.00 0.00 H new ATOM 0 HB2 TRP A 44 53.458 1.651 4.580 1.00 0.00 H new ATOM 0 HB3 TRP A 44 52.909 3.285 4.895 1.00 0.00 H new ATOM 0 HD1 TRP A 44 54.968 3.141 7.710 1.00 0.00 H new ATOM 0 HE1 TRP A 44 57.431 3.811 7.269 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.022 2.606 2.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 59.171 4.066 4.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 57.070 3.059 1.347 1.00 0.00 H new ATOM 0 HH2 TRP A 44 59.148 3.789 2.491 1.00 0.00 H new ATOM 715 N ARG A 45 50.641 2.419 5.633 1.00 0.00 N ATOM 716 CA ARG A 45 49.256 2.109 5.195 1.00 0.00 C ATOM 717 C ARG A 45 49.129 2.584 3.748 1.00 0.00 C ATOM 718 O ARG A 45 48.432 3.535 3.447 1.00 0.00 O ATOM 719 CB ARG A 45 48.342 2.910 6.123 1.00 0.00 C ATOM 720 CG ARG A 45 47.942 2.046 7.320 1.00 0.00 C ATOM 721 CD ARG A 45 46.631 2.566 7.913 1.00 0.00 C ATOM 722 NE ARG A 45 46.790 2.419 9.386 1.00 0.00 N ATOM 723 CZ ARG A 45 46.175 3.240 10.194 1.00 0.00 C ATOM 724 NH1 ARG A 45 44.873 3.222 10.274 1.00 0.00 N ATOM 725 NH2 ARG A 45 46.862 4.077 10.922 1.00 0.00 N ATOM 0 H ARG A 45 50.956 3.361 5.402 1.00 0.00 H new ATOM 0 HA ARG A 45 49.001 1.050 5.241 1.00 0.00 H new ATOM 0 HB2 ARG A 45 48.853 3.810 6.466 1.00 0.00 H new ATOM 0 HB3 ARG A 45 47.453 3.235 5.583 1.00 0.00 H new ATOM 0 HG2 ARG A 45 47.826 1.008 7.009 1.00 0.00 H new ATOM 0 HG3 ARG A 45 48.728 2.067 8.075 1.00 0.00 H new ATOM 0 HD2 ARG A 45 46.458 3.606 7.636 1.00 0.00 H new ATOM 0 HD3 ARG A 45 45.778 1.993 7.549 1.00 0.00 H new ATOM 0 HE ARG A 45 47.379 1.677 9.764 1.00 0.00 H new ATOM 0 HH11 ARG A 45 44.336 2.567 9.706 1.00 0.00 H new ATOM 0 HH12 ARG A 45 44.392 3.863 10.905 1.00 0.00 H new ATOM 0 HH21 ARG A 45 47.880 4.090 10.860 1.00 0.00 H new ATOM 0 HH22 ARG A 45 46.381 4.718 11.553 1.00 0.00 H new ATOM 739 N ALA A 46 49.842 1.941 2.864 1.00 0.00 N ATOM 740 CA ALA A 46 49.836 2.344 1.430 1.00 0.00 C ATOM 741 C ALA A 46 48.931 1.421 0.621 1.00 0.00 C ATOM 742 O ALA A 46 48.457 0.417 1.119 1.00 0.00 O ATOM 743 CB ALA A 46 51.298 2.185 0.991 1.00 0.00 C ATOM 0 H ALA A 46 50.437 1.141 3.079 1.00 0.00 H new ATOM 0 HA ALA A 46 49.461 3.356 1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.395 2.461 -0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 46 51.932 2.833 1.596 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.607 1.148 1.124 1.00 0.00 H new ATOM 749 N ARG A 47 48.695 1.745 -0.625 1.00 0.00 N ATOM 750 CA ARG A 47 47.829 0.873 -1.468 1.00 0.00 C ATOM 751 C ARG A 47 48.624 0.346 -2.657 1.00 0.00 C ATOM 752 O ARG A 47 49.633 0.909 -3.034 1.00 0.00 O ATOM 753 CB ARG A 47 46.690 1.763 -1.955 1.00 0.00 C ATOM 754 CG ARG A 47 45.781 2.122 -0.781 1.00 0.00 C ATOM 755 CD ARG A 47 45.273 3.557 -0.944 1.00 0.00 C ATOM 756 NE ARG A 47 43.919 3.418 -1.549 1.00 0.00 N ATOM 757 CZ ARG A 47 43.016 4.337 -1.343 1.00 0.00 C ATOM 758 NH1 ARG A 47 43.247 5.571 -1.698 1.00 0.00 N ATOM 759 NH2 ARG A 47 41.880 4.022 -0.781 1.00 0.00 N ATOM 0 H ARG A 47 49.064 2.573 -1.092 1.00 0.00 H new ATOM 0 HA ARG A 47 47.457 0.013 -0.910 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.092 2.670 -2.407 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.118 1.248 -2.727 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.939 1.431 -0.735 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.326 2.023 0.158 1.00 0.00 H new ATOM 0 HD2 ARG A 47 45.226 4.071 0.016 1.00 0.00 H new ATOM 0 HD3 ARG A 47 45.934 4.140 -1.585 1.00 0.00 H new ATOM 0 HE ARG A 47 43.698 2.605 -2.124 1.00 0.00 H new ATOM 0 HH11 ARG A 47 44.134 5.818 -2.137 1.00 0.00 H new ATOM 0 HH12 ARG A 47 42.541 6.289 -1.537 1.00 0.00 H new ATOM 0 HH21 ARG A 47 41.699 3.058 -0.503 1.00 0.00 H new ATOM 0 HH22 ARG A 47 41.174 4.740 -0.620 1.00 0.00 H new ATOM 773 N ASP A 48 48.174 -0.726 -3.250 1.00 0.00 N ATOM 774 CA ASP A 48 48.904 -1.293 -4.420 1.00 0.00 C ATOM 775 C ASP A 48 48.343 -0.717 -5.728 1.00 0.00 C ATOM 776 O ASP A 48 47.783 0.364 -5.746 1.00 0.00 O ATOM 777 CB ASP A 48 48.678 -2.806 -4.326 1.00 0.00 C ATOM 778 CG ASP A 48 47.184 -3.127 -4.436 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.421 -2.590 -3.650 1.00 0.00 O ATOM 780 OD2 ASP A 48 46.831 -3.906 -5.306 1.00 0.00 O ATOM 0 H ASP A 48 47.333 -1.234 -2.975 1.00 0.00 H new ATOM 0 HA ASP A 48 49.966 -1.047 -4.414 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.225 -3.313 -5.121 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.069 -3.181 -3.380 1.00 0.00 H new ATOM 785 N LYS A 49 48.496 -1.424 -6.820 1.00 0.00 N ATOM 786 CA LYS A 49 47.981 -0.915 -8.129 1.00 0.00 C ATOM 787 C LYS A 49 46.558 -1.421 -8.395 1.00 0.00 C ATOM 788 O LYS A 49 46.107 -1.444 -9.525 1.00 0.00 O ATOM 789 CB LYS A 49 48.950 -1.469 -9.175 1.00 0.00 C ATOM 790 CG LYS A 49 50.047 -0.440 -9.452 1.00 0.00 C ATOM 791 CD LYS A 49 50.600 -0.652 -10.863 1.00 0.00 C ATOM 792 CE LYS A 49 49.555 -0.216 -11.893 1.00 0.00 C ATOM 793 NZ LYS A 49 49.939 1.173 -12.267 1.00 0.00 N ATOM 0 H LYS A 49 48.956 -2.333 -6.862 1.00 0.00 H new ATOM 0 HA LYS A 49 47.928 0.174 -8.148 1.00 0.00 H new ATOM 0 HB2 LYS A 49 49.392 -2.400 -8.820 1.00 0.00 H new ATOM 0 HB3 LYS A 49 48.414 -1.701 -10.095 1.00 0.00 H new ATOM 0 HG2 LYS A 49 49.647 0.569 -9.354 1.00 0.00 H new ATOM 0 HG3 LYS A 49 50.847 -0.538 -8.718 1.00 0.00 H new ATOM 0 HD2 LYS A 49 51.517 -0.079 -10.995 1.00 0.00 H new ATOM 0 HD3 LYS A 49 50.856 -1.701 -11.011 1.00 0.00 H new ATOM 0 HE2 LYS A 49 49.559 -0.874 -12.762 1.00 0.00 H new ATOM 0 HE3 LYS A 49 48.550 -0.248 -11.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 49.268 1.541 -12.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 49.920 1.778 -11.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 50.898 1.172 -12.670 1.00 0.00 H new ATOM 807 N ASN A 50 45.848 -1.822 -7.368 1.00 0.00 N ATOM 808 CA ASN A 50 44.458 -2.318 -7.563 1.00 0.00 C ATOM 809 C ASN A 50 43.453 -1.350 -6.930 1.00 0.00 C ATOM 810 O ASN A 50 42.313 -1.269 -7.345 1.00 0.00 O ATOM 811 CB ASN A 50 44.413 -3.676 -6.860 1.00 0.00 C ATOM 812 CG ASN A 50 45.398 -4.638 -7.530 1.00 0.00 C ATOM 813 OD1 ASN A 50 45.800 -4.431 -8.659 1.00 0.00 O ATOM 814 ND2 ASN A 50 45.805 -5.694 -6.879 1.00 0.00 N ATOM 0 H ASN A 50 46.176 -1.825 -6.402 1.00 0.00 H new ATOM 0 HA ASN A 50 44.197 -2.399 -8.618 1.00 0.00 H new ATOM 0 HB2 ASN A 50 44.664 -3.559 -5.806 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.404 -4.085 -6.903 1.00 0.00 H new ATOM 0 HD21 ASN A 50 46.459 -6.343 -7.317 1.00 0.00 H new ATOM 0 HD22 ASN A 50 45.469 -5.870 -5.932 1.00 0.00 H new ATOM 821 N GLY A 51 43.871 -0.619 -5.927 1.00 0.00 N ATOM 822 CA GLY A 51 42.948 0.345 -5.259 1.00 0.00 C ATOM 823 C GLY A 51 42.629 -0.147 -3.846 1.00 0.00 C ATOM 824 O GLY A 51 41.571 0.128 -3.310 1.00 0.00 O ATOM 0 H GLY A 51 44.815 -0.650 -5.542 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.406 1.333 -5.216 1.00 0.00 H new ATOM 0 HA3 GLY A 51 42.029 0.444 -5.837 1.00 0.00 H new ATOM 828 N GLN A 52 43.535 -0.874 -3.241 1.00 0.00 N ATOM 829 CA GLN A 52 43.293 -1.390 -1.863 1.00 0.00 C ATOM 830 C GLN A 52 44.446 -0.996 -0.938 1.00 0.00 C ATOM 831 O GLN A 52 45.605 -1.128 -1.288 1.00 0.00 O ATOM 832 CB GLN A 52 43.228 -2.909 -2.022 1.00 0.00 C ATOM 833 CG GLN A 52 41.782 -3.335 -2.286 1.00 0.00 C ATOM 834 CD GLN A 52 41.037 -3.465 -0.956 1.00 0.00 C ATOM 835 OE1 GLN A 52 41.505 -4.117 -0.045 1.00 0.00 O ATOM 836 NE2 GLN A 52 39.886 -2.867 -0.806 1.00 0.00 N ATOM 0 H GLN A 52 44.435 -1.132 -3.646 1.00 0.00 H new ATOM 0 HA GLN A 52 42.383 -0.984 -1.422 1.00 0.00 H new ATOM 0 HB2 GLN A 52 43.868 -3.226 -2.846 1.00 0.00 H new ATOM 0 HB3 GLN A 52 43.603 -3.396 -1.121 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.286 -2.602 -2.922 1.00 0.00 H new ATOM 0 HG3 GLN A 52 41.763 -4.285 -2.820 1.00 0.00 H new ATOM 0 HE21 GLN A 52 39.492 -2.319 -1.571 1.00 0.00 H new ATOM 0 HE22 GLN A 52 39.380 -2.948 0.076 1.00 0.00 H new ATOM 845 N GLU A 53 44.134 -0.515 0.238 1.00 0.00 N ATOM 846 CA GLU A 53 45.200 -0.107 1.204 1.00 0.00 C ATOM 847 C GLU A 53 45.421 -1.216 2.233 1.00 0.00 C ATOM 848 O GLU A 53 44.531 -2.000 2.505 1.00 0.00 O ATOM 849 CB GLU A 53 44.656 1.147 1.890 1.00 0.00 C ATOM 850 CG GLU A 53 45.784 1.843 2.654 1.00 0.00 C ATOM 851 CD GLU A 53 45.417 3.311 2.882 1.00 0.00 C ATOM 852 OE1 GLU A 53 44.642 3.573 3.786 1.00 0.00 O ATOM 853 OE2 GLU A 53 45.918 4.146 2.148 1.00 0.00 O ATOM 0 H GLU A 53 43.179 -0.386 0.574 1.00 0.00 H new ATOM 0 HA GLU A 53 46.155 0.077 0.712 1.00 0.00 H new ATOM 0 HB2 GLU A 53 44.233 1.825 1.149 1.00 0.00 H new ATOM 0 HB3 GLU A 53 43.851 0.879 2.574 1.00 0.00 H new ATOM 0 HG2 GLU A 53 45.951 1.346 3.610 1.00 0.00 H new ATOM 0 HG3 GLU A 53 46.715 1.773 2.092 1.00 0.00 H new ATOM 860 N GLY A 54 46.594 -1.286 2.815 1.00 0.00 N ATOM 861 CA GLY A 54 46.856 -2.347 3.834 1.00 0.00 C ATOM 862 C GLY A 54 48.111 -1.993 4.624 1.00 0.00 C ATOM 863 O GLY A 54 48.161 -0.974 5.287 1.00 0.00 O ATOM 0 H GLY A 54 47.376 -0.658 2.629 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.003 -2.439 4.507 1.00 0.00 H new ATOM 0 HA3 GLY A 54 46.981 -3.313 3.345 1.00 0.00 H new ATOM 867 N TYR A 55 49.126 -2.818 4.561 1.00 0.00 N ATOM 868 CA TYR A 55 50.376 -2.511 5.309 1.00 0.00 C ATOM 869 C TYR A 55 51.611 -2.718 4.426 1.00 0.00 C ATOM 870 O TYR A 55 51.716 -3.685 3.697 1.00 0.00 O ATOM 871 CB TYR A 55 50.396 -3.464 6.502 1.00 0.00 C ATOM 872 CG TYR A 55 49.516 -2.916 7.600 1.00 0.00 C ATOM 873 CD1 TYR A 55 48.123 -2.991 7.485 1.00 0.00 C ATOM 874 CD2 TYR A 55 50.094 -2.330 8.733 1.00 0.00 C ATOM 875 CE1 TYR A 55 47.308 -2.480 8.503 1.00 0.00 C ATOM 876 CE2 TYR A 55 49.279 -1.820 9.751 1.00 0.00 C ATOM 877 CZ TYR A 55 47.886 -1.895 9.635 1.00 0.00 C ATOM 878 OH TYR A 55 47.083 -1.392 10.639 1.00 0.00 O ATOM 0 H TYR A 55 49.140 -3.686 4.026 1.00 0.00 H new ATOM 0 HA TYR A 55 50.398 -1.470 5.630 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.045 -4.450 6.199 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.416 -3.586 6.866 1.00 0.00 H new ATOM 0 HD1 TYR A 55 47.677 -3.443 6.611 1.00 0.00 H new ATOM 0 HD2 TYR A 55 51.169 -2.271 8.822 1.00 0.00 H new ATOM 0 HE1 TYR A 55 46.233 -2.538 8.414 1.00 0.00 H new ATOM 0 HE2 TYR A 55 49.725 -1.369 10.625 1.00 0.00 H new ATOM 0 HH TYR A 55 46.266 -1.929 10.704 1.00 0.00 H new ATOM 888 N ILE A 56 52.540 -1.798 4.487 1.00 0.00 N ATOM 889 CA ILE A 56 53.779 -1.898 3.656 1.00 0.00 C ATOM 890 C ILE A 56 55.014 -1.549 4.525 1.00 0.00 C ATOM 891 O ILE A 56 55.228 -0.388 4.812 1.00 0.00 O ATOM 892 CB ILE A 56 53.568 -0.847 2.547 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.557 -1.381 1.536 1.00 0.00 C ATOM 894 CG2 ILE A 56 54.878 -0.542 1.815 1.00 0.00 C ATOM 895 CD1 ILE A 56 51.140 -1.063 2.008 1.00 0.00 C ATOM 0 H ILE A 56 52.492 -0.972 5.084 1.00 0.00 H new ATOM 0 HA ILE A 56 53.952 -2.894 3.249 1.00 0.00 H new ATOM 0 HB ILE A 56 53.205 0.070 3.011 1.00 0.00 H new ATOM 0 HG12 ILE A 56 52.734 -0.933 0.558 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.679 -2.458 1.420 1.00 0.00 H new ATOM 0 HG21 ILE A 56 54.697 0.202 1.039 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.610 -0.156 2.524 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.261 -1.455 1.359 1.00 0.00 H new ATOM 0 HD11 ILE A 56 50.421 -1.446 1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 56 50.965 -1.532 2.976 1.00 0.00 H new ATOM 0 HD13 ILE A 56 51.021 0.016 2.102 1.00 0.00 H new ATOM 907 N PRO A 57 55.809 -2.539 4.913 1.00 0.00 N ATOM 908 CA PRO A 57 57.014 -2.246 5.731 1.00 0.00 C ATOM 909 C PRO A 57 57.947 -1.290 4.974 1.00 0.00 C ATOM 910 O PRO A 57 58.243 -1.488 3.812 1.00 0.00 O ATOM 911 CB PRO A 57 57.648 -3.628 5.914 1.00 0.00 C ATOM 912 CG PRO A 57 56.773 -4.675 5.199 1.00 0.00 C ATOM 913 CD PRO A 57 55.564 -3.967 4.575 1.00 0.00 C ATOM 0 HA PRO A 57 56.798 -1.756 6.680 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.658 -3.637 5.504 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.732 -3.867 6.974 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.350 -5.186 4.428 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.441 -5.436 5.906 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.514 -4.125 3.498 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.624 -4.326 4.994 1.00 0.00 H new ATOM 921 N SER A 58 58.392 -0.244 5.624 1.00 0.00 N ATOM 922 CA SER A 58 59.290 0.755 4.951 1.00 0.00 C ATOM 923 C SER A 58 60.504 0.077 4.302 1.00 0.00 C ATOM 924 O SER A 58 60.809 0.315 3.149 1.00 0.00 O ATOM 925 CB SER A 58 59.745 1.695 6.067 1.00 0.00 C ATOM 926 OG SER A 58 60.740 2.577 5.562 1.00 0.00 O ATOM 0 H SER A 58 58.173 -0.035 6.598 1.00 0.00 H new ATOM 0 HA SER A 58 58.768 1.277 4.149 1.00 0.00 H new ATOM 0 HB2 SER A 58 58.897 2.264 6.447 1.00 0.00 H new ATOM 0 HB3 SER A 58 60.143 1.120 6.903 1.00 0.00 H new ATOM 0 HG SER A 58 60.401 3.029 4.761 1.00 0.00 H new ATOM 932 N ASN A 59 61.202 -0.748 5.038 1.00 0.00 N ATOM 933 CA ASN A 59 62.409 -1.428 4.471 1.00 0.00 C ATOM 934 C ASN A 59 62.028 -2.276 3.253 1.00 0.00 C ATOM 935 O ASN A 59 62.743 -2.336 2.271 1.00 0.00 O ATOM 936 CB ASN A 59 62.945 -2.302 5.619 1.00 0.00 C ATOM 937 CG ASN A 59 62.015 -3.492 5.896 1.00 0.00 C ATOM 938 OD1 ASN A 59 60.812 -3.338 5.946 1.00 0.00 O ATOM 939 ND2 ASN A 59 62.530 -4.677 6.081 1.00 0.00 N ATOM 0 H ASN A 59 60.990 -0.982 6.008 1.00 0.00 H new ATOM 0 HA ASN A 59 63.160 -0.720 4.121 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.941 -2.667 5.367 1.00 0.00 H new ATOM 0 HB3 ASN A 59 63.046 -1.699 6.521 1.00 0.00 H new ATOM 0 HD21 ASN A 59 61.922 -5.474 6.268 1.00 0.00 H new ATOM 0 HD22 ASN A 59 63.541 -4.806 6.039 1.00 0.00 H new ATOM 946 N TYR A 60 60.912 -2.938 3.333 1.00 0.00 N ATOM 947 CA TYR A 60 60.462 -3.809 2.202 1.00 0.00 C ATOM 948 C TYR A 60 60.276 -2.997 0.913 1.00 0.00 C ATOM 949 O TYR A 60 60.439 -3.519 -0.174 1.00 0.00 O ATOM 950 CB TYR A 60 59.128 -4.407 2.658 1.00 0.00 C ATOM 951 CG TYR A 60 59.342 -5.831 3.121 1.00 0.00 C ATOM 952 CD1 TYR A 60 60.281 -6.106 4.123 1.00 0.00 C ATOM 953 CD2 TYR A 60 58.602 -6.873 2.550 1.00 0.00 C ATOM 954 CE1 TYR A 60 60.481 -7.423 4.552 1.00 0.00 C ATOM 955 CE2 TYR A 60 58.802 -8.191 2.980 1.00 0.00 C ATOM 956 CZ TYR A 60 59.741 -8.465 3.981 1.00 0.00 C ATOM 957 OH TYR A 60 59.938 -9.764 4.405 1.00 0.00 O ATOM 0 H TYR A 60 60.284 -2.917 4.136 1.00 0.00 H new ATOM 0 HA TYR A 60 61.200 -4.578 1.974 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.708 -3.810 3.468 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.409 -4.384 1.839 1.00 0.00 H new ATOM 0 HD1 TYR A 60 60.851 -5.302 4.565 1.00 0.00 H new ATOM 0 HD2 TYR A 60 57.877 -6.661 1.778 1.00 0.00 H new ATOM 0 HE1 TYR A 60 61.206 -7.635 5.324 1.00 0.00 H new ATOM 0 HE2 TYR A 60 58.232 -8.995 2.539 1.00 0.00 H new ATOM 0 HH TYR A 60 59.344 -10.364 3.908 1.00 0.00 H new ATOM 967 N VAL A 61 59.939 -1.732 1.013 1.00 0.00 N ATOM 968 CA VAL A 61 59.752 -0.914 -0.228 1.00 0.00 C ATOM 969 C VAL A 61 60.794 0.203 -0.312 1.00 0.00 C ATOM 970 O VAL A 61 61.495 0.490 0.639 1.00 0.00 O ATOM 971 CB VAL A 61 58.345 -0.316 -0.143 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.309 -1.441 -0.168 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.197 0.488 1.152 1.00 0.00 C ATOM 0 H VAL A 61 59.787 -1.235 1.891 1.00 0.00 H new ATOM 0 HA VAL A 61 59.873 -1.531 -1.118 1.00 0.00 H new ATOM 0 HB VAL A 61 58.185 0.345 -0.995 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.308 -1.015 -0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.408 -2.006 -1.095 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.473 -2.105 0.681 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.194 0.910 1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.361 -0.167 2.008 1.00 0.00 H new ATOM 0 HG23 VAL A 61 58.931 1.294 1.166 1.00 0.00 H new ATOM 983 N THR A 62 60.883 0.840 -1.451 1.00 0.00 N ATOM 984 CA THR A 62 61.861 1.954 -1.627 1.00 0.00 C ATOM 985 C THR A 62 61.196 3.082 -2.442 1.00 0.00 C ATOM 986 O THR A 62 60.081 3.465 -2.150 1.00 0.00 O ATOM 987 CB THR A 62 63.056 1.321 -2.358 1.00 0.00 C ATOM 988 OG1 THR A 62 64.058 2.308 -2.560 1.00 0.00 O ATOM 989 CG2 THR A 62 62.613 0.762 -3.711 1.00 0.00 C ATOM 0 H THR A 62 60.315 0.634 -2.273 1.00 0.00 H new ATOM 0 HA THR A 62 62.188 2.405 -0.690 1.00 0.00 H new ATOM 0 HB THR A 62 63.454 0.507 -1.752 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.823 1.908 -3.024 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.469 0.317 -4.218 1.00 0.00 H new ATOM 0 HG22 THR A 62 61.846 0.002 -3.558 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.208 1.568 -4.323 1.00 0.00 H new ATOM 997 N GLU A 63 61.848 3.623 -3.447 1.00 0.00 N ATOM 998 CA GLU A 63 61.213 4.716 -4.247 1.00 0.00 C ATOM 999 C GLU A 63 60.457 4.124 -5.439 1.00 0.00 C ATOM 1000 O GLU A 63 60.939 3.233 -6.110 1.00 0.00 O ATOM 1001 CB GLU A 63 62.374 5.592 -4.720 1.00 0.00 C ATOM 1002 CG GLU A 63 62.485 6.829 -3.821 1.00 0.00 C ATOM 1003 CD GLU A 63 61.782 8.013 -4.487 1.00 0.00 C ATOM 1004 OE1 GLU A 63 60.568 7.967 -4.600 1.00 0.00 O ATOM 1005 OE2 GLU A 63 62.468 8.946 -4.871 1.00 0.00 O ATOM 0 H GLU A 63 62.786 3.355 -3.744 1.00 0.00 H new ATOM 0 HA GLU A 63 60.489 5.288 -3.666 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.305 5.025 -4.693 1.00 0.00 H new ATOM 0 HB3 GLU A 63 62.216 5.895 -5.755 1.00 0.00 H new ATOM 0 HG2 GLU A 63 62.035 6.626 -2.849 1.00 0.00 H new ATOM 0 HG3 GLU A 63 63.533 7.069 -3.643 1.00 0.00 H new ATOM 1012 N ALA A 64 59.267 4.611 -5.701 1.00 0.00 N ATOM 1013 CA ALA A 64 58.453 4.079 -6.845 1.00 0.00 C ATOM 1014 C ALA A 64 59.278 4.045 -8.140 1.00 0.00 C ATOM 1015 O ALA A 64 59.047 3.227 -9.011 1.00 0.00 O ATOM 1016 CB ALA A 64 57.281 5.051 -6.989 1.00 0.00 C ATOM 0 H ALA A 64 58.821 5.358 -5.169 1.00 0.00 H new ATOM 0 HA ALA A 64 58.122 3.057 -6.660 1.00 0.00 H new ATOM 0 HB1 ALA A 64 56.639 4.728 -7.808 1.00 0.00 H new ATOM 0 HB2 ALA A 64 56.707 5.068 -6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 64 57.661 6.051 -7.199 1.00 0.00 H new ATOM 1022 N GLU A 65 60.234 4.930 -8.268 1.00 0.00 N ATOM 1023 CA GLU A 65 61.077 4.959 -9.500 1.00 0.00 C ATOM 1024 C GLU A 65 62.421 4.273 -9.239 1.00 0.00 C ATOM 1025 O GLU A 65 62.934 4.297 -8.136 1.00 0.00 O ATOM 1026 CB GLU A 65 61.282 6.443 -9.806 1.00 0.00 C ATOM 1027 CG GLU A 65 60.199 6.919 -10.777 1.00 0.00 C ATOM 1028 CD GLU A 65 60.756 8.044 -11.652 1.00 0.00 C ATOM 1029 OE1 GLU A 65 60.892 9.147 -11.148 1.00 0.00 O ATOM 1030 OE2 GLU A 65 61.038 7.783 -12.809 1.00 0.00 O ATOM 0 H GLU A 65 60.467 5.636 -7.569 1.00 0.00 H new ATOM 0 HA GLU A 65 60.609 4.433 -10.332 1.00 0.00 H new ATOM 0 HB2 GLU A 65 61.240 7.024 -8.885 1.00 0.00 H new ATOM 0 HB3 GLU A 65 62.269 6.603 -10.239 1.00 0.00 H new ATOM 0 HG2 GLU A 65 59.865 6.090 -11.401 1.00 0.00 H new ATOM 0 HG3 GLU A 65 59.329 7.272 -10.223 1.00 0.00 H new ATOM 1037 N ASP A 66 62.992 3.666 -10.248 1.00 0.00 N ATOM 1038 CA ASP A 66 64.304 2.976 -10.070 1.00 0.00 C ATOM 1039 C ASP A 66 65.173 3.160 -11.317 1.00 0.00 C ATOM 1040 O ASP A 66 64.682 3.170 -12.429 1.00 0.00 O ATOM 1041 CB ASP A 66 63.952 1.500 -9.874 1.00 0.00 C ATOM 1042 CG ASP A 66 64.915 0.875 -8.863 1.00 0.00 C ATOM 1043 OD1 ASP A 66 66.016 0.527 -9.259 1.00 0.00 O ATOM 1044 OD2 ASP A 66 64.536 0.755 -7.709 1.00 0.00 O ATOM 0 H ASP A 66 62.604 3.619 -11.190 1.00 0.00 H new ATOM 0 HA ASP A 66 64.870 3.376 -9.228 1.00 0.00 H new ATOM 0 HB2 ASP A 66 62.925 1.404 -9.521 1.00 0.00 H new ATOM 0 HB3 ASP A 66 64.013 0.971 -10.825 1.00 0.00 H new ATOM 1049 N SER A 67 66.465 3.305 -11.138 1.00 0.00 N ATOM 1050 CA SER A 67 67.389 3.491 -12.307 1.00 0.00 C ATOM 1051 C SER A 67 66.912 4.643 -13.199 1.00 0.00 C ATOM 1052 O SER A 67 67.390 4.737 -14.318 1.00 0.00 O ATOM 1053 CB SER A 67 67.348 2.167 -13.073 1.00 0.00 C ATOM 1054 OG SER A 67 68.278 1.259 -12.495 1.00 0.00 O ATOM 1055 OXT SER A 67 66.079 5.411 -12.747 1.00 0.00 O ATOM 0 H SER A 67 66.924 3.303 -10.227 1.00 0.00 H new ATOM 0 HA SER A 67 68.399 3.743 -11.985 1.00 0.00 H new ATOM 0 HB2 SER A 67 66.343 1.746 -13.040 1.00 0.00 H new ATOM 0 HB3 SER A 67 67.590 2.334 -14.123 1.00 0.00 H new ATOM 0 HG SER A 67 68.252 0.410 -12.983 1.00 0.00 H new TER 1061 SER A 67