USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 620 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 ASN : amide:sc= 0.388 X(o=0.79,f=0.35) USER MOD Set 1.2: A 98 THR OG1 : rot -105:sc= 0.398 USER MOD Set 2.1: A 41 SER OG : rot 22:sc= 0.912 USER MOD Set 2.2: A 62 ASN : amide:sc= -0.0901 X(o=0.82,f=0.5) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 0.695 (180deg=0.596) USER MOD Single : A 29 TYR OH : rot 30:sc=-0.00484 USER MOD Single : A 32 THR OG1 : rot -76:sc= 0.739 USER MOD Single : A 33 MET CE :methyl -169:sc= -1.32 (180deg=-1.58) USER MOD Single : A 34 LYS NZ :NH3+ 165:sc= 0.817 (180deg=0.373) USER MOD Single : A 35 ASN : amide:sc= 0.066 X(o=0.066,f=-0.041) USER MOD Single : A 40 CYS SG : rot -117:sc= 0.2 USER MOD Single : A 43 GLN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -163:sc= 0.672 (180deg=0.525) USER MOD Single : A 52 ASN : amide:sc= -0.353 X(o=-0.35,f=0) USER MOD Single : A 53 SER OG : rot 147:sc= 1.27 USER MOD Single : A 56 THR OG1 : rot 130:sc= -0.922 USER MOD Single : A 57 THR OG1 : rot 148:sc= 1.25 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0654 USER MOD Single : A 60 SER OG : rot 32:sc= 1.23 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -147:sc= 1.25 USER MOD Single : A 76 SER OG : rot 100:sc= 0.203 USER MOD Single : A 88 ASN : amide:sc= 0.536 K(o=0.54,f=-6.5!) USER MOD Single : A 95 SER OG : rot 19:sc= 0.00431 USER MOD Single : A 104 ASN : amide:sc= 0.401 K(o=0.4,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 25 6.855 15.956 11.229 1.00 0.00 N ATOM 2 CA PRO A 25 7.293 17.327 10.854 1.00 0.00 C ATOM 3 C PRO A 25 6.726 17.672 9.480 1.00 0.00 C ATOM 4 O PRO A 25 5.721 18.379 9.386 1.00 0.00 O ATOM 5 CB PRO A 25 8.828 17.392 11.011 1.00 0.00 C ATOM 6 CG PRO A 25 9.218 16.017 11.575 1.00 0.00 C ATOM 7 CD PRO A 25 8.069 15.126 11.113 1.00 0.00 C ATOM 0 HA PRO A 25 6.902 18.107 11.507 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.317 17.582 10.055 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.124 18.196 11.685 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.177 15.676 11.184 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.305 16.035 12.661 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.220 14.792 10.086 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.993 14.231 11.731 1.00 0.00 H new ATOM 15 N ALA A 26 7.328 17.128 8.414 1.00 0.00 N ATOM 16 CA ALA A 26 6.641 17.000 7.136 1.00 0.00 C ATOM 17 C ALA A 26 5.654 15.822 7.302 1.00 0.00 C ATOM 18 O ALA A 26 5.415 15.343 8.428 1.00 0.00 O ATOM 19 CB ALA A 26 7.674 16.698 6.041 1.00 0.00 C ATOM 0 H ALA A 26 8.284 16.773 8.418 1.00 0.00 H new ATOM 0 HA ALA A 26 6.112 17.910 6.852 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.168 16.601 5.080 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.398 17.512 5.989 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.191 15.767 6.275 1.00 0.00 H new ATOM 25 N LYS A 27 5.097 15.297 6.209 1.00 0.00 N ATOM 26 CA LYS A 27 4.383 14.023 6.308 1.00 0.00 C ATOM 27 C LYS A 27 5.314 12.864 6.641 1.00 0.00 C ATOM 28 O LYS A 27 6.529 12.922 6.456 1.00 0.00 O ATOM 29 CB LYS A 27 3.592 13.748 5.026 1.00 0.00 C ATOM 30 CG LYS A 27 2.147 14.192 5.206 1.00 0.00 C ATOM 31 CD LYS A 27 1.389 13.377 6.275 1.00 0.00 C ATOM 32 CE LYS A 27 -0.124 13.495 6.117 1.00 0.00 C ATOM 33 NZ LYS A 27 -0.593 14.906 6.226 1.00 0.00 N ATOM 0 H LYS A 27 5.123 15.715 5.279 1.00 0.00 H new ATOM 0 HA LYS A 27 3.680 14.108 7.137 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.044 14.279 4.188 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.628 12.685 4.786 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.129 15.246 5.482 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.625 14.103 4.253 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.680 12.329 6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.678 13.723 7.267 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.419 13.089 5.149 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.616 12.891 6.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.622 14.942 6.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.365 15.276 7.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.119 15.486 5.504 1.00 0.00 H new ATOM 47 N ARG A 28 4.690 11.818 7.181 1.00 0.00 N ATOM 48 CA ARG A 28 5.299 10.535 7.579 1.00 0.00 C ATOM 49 C ARG A 28 4.244 9.468 7.885 1.00 0.00 C ATOM 50 O ARG A 28 4.346 8.666 8.813 1.00 0.00 O ATOM 51 CB ARG A 28 6.316 10.745 8.718 1.00 0.00 C ATOM 52 CG ARG A 28 5.963 11.842 9.744 1.00 0.00 C ATOM 53 CD ARG A 28 4.599 11.778 10.448 1.00 0.00 C ATOM 54 NE ARG A 28 4.526 10.624 11.360 1.00 0.00 N ATOM 55 CZ ARG A 28 3.459 9.933 11.719 1.00 0.00 C ATOM 56 NH1 ARG A 28 2.254 10.122 11.266 1.00 0.00 N ATOM 57 NH2 ARG A 28 3.563 8.984 12.600 1.00 0.00 N ATOM 0 H ARG A 28 3.687 11.837 7.366 1.00 0.00 H new ATOM 0 HA ARG A 28 5.860 10.143 6.731 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.435 9.802 9.251 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.283 10.986 8.276 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.734 11.835 10.515 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.029 12.804 9.236 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.432 12.698 11.007 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.805 11.708 9.704 1.00 0.00 H new ATOM 0 HE ARG A 28 5.411 10.320 11.766 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.077 10.853 10.577 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.486 9.539 11.600 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.470 8.771 13.016 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.738 8.452 12.876 1.00 0.00 H new ATOM 71 N TYR A 29 3.185 9.551 7.099 1.00 0.00 N ATOM 72 CA TYR A 29 2.009 8.682 7.106 1.00 0.00 C ATOM 73 C TYR A 29 2.367 7.187 7.031 1.00 0.00 C ATOM 74 O TYR A 29 3.465 6.796 6.628 1.00 0.00 O ATOM 75 CB TYR A 29 1.082 9.088 5.944 1.00 0.00 C ATOM 76 CG TYR A 29 1.497 8.553 4.592 1.00 0.00 C ATOM 77 CD1 TYR A 29 1.172 7.222 4.254 1.00 0.00 C ATOM 78 CD2 TYR A 29 2.163 9.368 3.655 1.00 0.00 C ATOM 79 CE1 TYR A 29 1.581 6.667 3.033 1.00 0.00 C ATOM 80 CE2 TYR A 29 2.491 8.840 2.398 1.00 0.00 C ATOM 81 CZ TYR A 29 2.224 7.480 2.090 1.00 0.00 C ATOM 82 OH TYR A 29 2.496 6.937 0.878 1.00 0.00 O ATOM 0 H TYR A 29 3.114 10.277 6.386 1.00 0.00 H new ATOM 0 HA TYR A 29 1.496 8.816 8.058 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.072 8.741 6.163 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.041 10.176 5.893 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.600 6.622 4.946 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.418 10.388 3.902 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.402 5.623 2.821 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.952 9.475 1.656 1.00 0.00 H new ATOM 0 HH TYR A 29 1.822 6.259 0.665 1.00 0.00 H new ATOM 92 N ARG A 30 1.376 6.345 7.317 1.00 0.00 N ATOM 93 CA ARG A 30 1.406 4.898 7.100 1.00 0.00 C ATOM 94 C ARG A 30 0.038 4.476 6.564 1.00 0.00 C ATOM 95 O ARG A 30 -0.953 4.708 7.238 1.00 0.00 O ATOM 96 CB ARG A 30 1.754 4.231 8.440 1.00 0.00 C ATOM 97 CG ARG A 30 1.889 2.702 8.423 1.00 0.00 C ATOM 98 CD ARG A 30 3.073 2.240 7.561 1.00 0.00 C ATOM 99 NE ARG A 30 3.713 1.020 8.085 1.00 0.00 N ATOM 100 CZ ARG A 30 4.498 0.918 9.142 1.00 0.00 C ATOM 101 NH1 ARG A 30 4.873 1.948 9.845 1.00 0.00 N ATOM 102 NH2 ARG A 30 4.923 -0.248 9.517 1.00 0.00 N ATOM 0 H ARG A 30 0.496 6.663 7.722 1.00 0.00 H new ATOM 0 HA ARG A 30 2.157 4.594 6.370 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.692 4.653 8.799 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.986 4.499 9.165 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.018 2.338 9.442 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.968 2.261 8.041 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.727 2.056 6.544 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.812 3.039 7.507 1.00 0.00 H new ATOM 0 HE ARG A 30 3.529 0.157 7.573 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.559 2.883 9.587 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.481 1.819 10.654 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.651 -1.082 8.996 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.530 -0.332 10.333 1.00 0.00 H new ATOM 116 N ILE A 31 -0.071 3.912 5.357 1.00 0.00 N ATOM 117 CA ILE A 31 -1.332 3.283 4.914 1.00 0.00 C ATOM 118 C ILE A 31 -1.363 1.816 5.277 1.00 0.00 C ATOM 119 O ILE A 31 -0.309 1.222 5.413 1.00 0.00 O ATOM 120 CB ILE A 31 -1.634 3.433 3.416 1.00 0.00 C ATOM 121 CG1 ILE A 31 -0.512 2.887 2.528 1.00 0.00 C ATOM 122 CG2 ILE A 31 -1.933 4.891 3.093 1.00 0.00 C ATOM 123 CD1 ILE A 31 -0.917 2.792 1.060 1.00 0.00 C ATOM 0 H ILE A 31 0.685 3.875 4.673 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.110 3.830 5.447 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.514 2.829 3.195 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.363 3.530 2.618 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.220 1.899 2.885 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.147 4.992 2.029 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.797 5.222 3.669 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.070 5.505 3.349 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.084 2.399 0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.774 2.126 0.961 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.182 3.783 0.691 1.00 0.00 H new ATOM 135 N THR A 32 -2.569 1.273 5.365 1.00 0.00 N ATOM 136 CA THR A 32 -3.001 -0.122 5.486 1.00 0.00 C ATOM 137 C THR A 32 -3.488 -0.563 4.120 1.00 0.00 C ATOM 138 O THR A 32 -4.210 0.187 3.454 1.00 0.00 O ATOM 139 CB THR A 32 -4.218 -0.206 6.432 1.00 0.00 C ATOM 140 OG1 THR A 32 -4.176 0.597 7.579 1.00 0.00 O ATOM 141 CG2 THR A 32 -4.542 -1.630 6.865 1.00 0.00 C ATOM 0 H THR A 32 -3.385 1.885 5.352 1.00 0.00 H new ATOM 0 HA THR A 32 -2.180 -0.733 5.860 1.00 0.00 H new ATOM 0 HB THR A 32 -5.006 0.194 5.794 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.564 0.200 8.234 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.407 -1.621 7.528 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.765 -2.236 5.987 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.686 -2.054 7.390 1.00 0.00 H new ATOM 149 N MET A 33 -3.114 -1.781 3.720 1.00 0.00 N ATOM 150 CA MET A 33 -3.561 -2.464 2.501 1.00 0.00 C ATOM 151 C MET A 33 -3.894 -3.910 2.879 1.00 0.00 C ATOM 152 O MET A 33 -3.026 -4.723 3.206 1.00 0.00 O ATOM 153 CB MET A 33 -2.538 -2.340 1.367 1.00 0.00 C ATOM 154 CG MET A 33 -1.978 -0.919 1.176 1.00 0.00 C ATOM 155 SD MET A 33 -1.742 -0.265 -0.498 1.00 0.00 S ATOM 156 CE MET A 33 -0.984 -1.678 -1.298 1.00 0.00 C ATOM 0 H MET A 33 -2.460 -2.345 4.262 1.00 0.00 H new ATOM 0 HA MET A 33 -4.458 -1.991 2.100 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.710 -3.021 1.563 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.003 -2.663 0.436 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.642 -0.234 1.703 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.013 -0.879 1.681 1.00 0.00 H new ATOM 0 HE1 MET A 33 -0.598 -1.380 -2.273 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.165 -2.049 -0.682 1.00 0.00 H new ATOM 0 HE3 MET A 33 -1.727 -2.465 -1.426 1.00 0.00 H new ATOM 166 N LYS A 34 -5.199 -4.177 2.886 1.00 0.00 N ATOM 167 CA LYS A 34 -5.863 -5.275 3.592 1.00 0.00 C ATOM 168 C LYS A 34 -7.262 -5.513 3.049 1.00 0.00 C ATOM 169 O LYS A 34 -7.828 -4.568 2.519 1.00 0.00 O ATOM 170 CB LYS A 34 -6.059 -4.566 4.937 1.00 0.00 C ATOM 171 CG LYS A 34 -6.975 -5.120 6.010 1.00 0.00 C ATOM 172 CD LYS A 34 -8.401 -4.529 5.918 1.00 0.00 C ATOM 173 CE LYS A 34 -8.487 -3.124 6.541 1.00 0.00 C ATOM 174 NZ LYS A 34 -9.313 -2.205 5.717 1.00 0.00 N ATOM 0 H LYS A 34 -5.862 -3.599 2.369 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.328 -6.224 3.558 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.071 -4.467 5.387 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.410 -3.559 4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.026 -6.205 5.918 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.555 -4.903 6.992 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.706 -4.481 4.873 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.102 -5.193 6.424 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.912 -3.196 7.542 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.484 -2.712 6.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.559 -1.364 6.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.775 -1.916 4.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.184 -2.691 5.422 1.00 0.00 H new ATOM 188 N ASN A 35 -7.904 -6.656 3.277 1.00 0.00 N ATOM 189 CA ASN A 35 -9.359 -6.721 3.066 1.00 0.00 C ATOM 190 C ASN A 35 -10.062 -7.926 3.731 1.00 0.00 C ATOM 191 O ASN A 35 -10.943 -7.736 4.571 1.00 0.00 O ATOM 192 CB ASN A 35 -9.668 -6.572 1.558 1.00 0.00 C ATOM 193 CG ASN A 35 -10.778 -7.446 1.006 1.00 0.00 C ATOM 194 OD1 ASN A 35 -11.960 -7.180 1.168 1.00 0.00 O ATOM 195 ND2 ASN A 35 -10.414 -8.499 0.318 1.00 0.00 N ATOM 0 H ASN A 35 -7.467 -7.521 3.595 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.800 -5.877 3.596 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.925 -5.531 1.363 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.756 -6.785 1.000 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.121 -9.110 -0.091 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.424 -8.708 0.191 1.00 0.00 H new ATOM 202 N LEU A 36 -9.674 -9.151 3.369 1.00 0.00 N ATOM 203 CA LEU A 36 -10.273 -10.421 3.807 1.00 0.00 C ATOM 204 C LEU A 36 -9.146 -11.470 3.753 1.00 0.00 C ATOM 205 O LEU A 36 -8.744 -11.842 2.656 1.00 0.00 O ATOM 206 CB LEU A 36 -11.469 -10.748 2.888 1.00 0.00 C ATOM 207 CG LEU A 36 -12.348 -11.936 3.326 1.00 0.00 C ATOM 208 CD1 LEU A 36 -13.676 -11.888 2.566 1.00 0.00 C ATOM 209 CD2 LEU A 36 -11.729 -13.310 3.052 1.00 0.00 C ATOM 0 H LEU A 36 -8.893 -9.295 2.729 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.671 -10.389 4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.099 -9.862 2.815 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.088 -10.952 1.887 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.468 -11.829 4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -14.301 -12.727 2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -14.189 -10.952 2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.485 -11.951 1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.411 -14.090 3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.551 -13.422 1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.784 -13.397 3.589 1.00 0.00 H new ATOM 221 N PRO A 37 -8.650 -11.947 4.918 1.00 0.00 N ATOM 222 CA PRO A 37 -7.406 -12.701 5.118 1.00 0.00 C ATOM 223 C PRO A 37 -6.556 -13.082 3.891 1.00 0.00 C ATOM 224 O PRO A 37 -6.424 -14.265 3.562 1.00 0.00 O ATOM 225 CB PRO A 37 -7.780 -13.851 6.056 1.00 0.00 C ATOM 226 CG PRO A 37 -8.721 -13.126 7.013 1.00 0.00 C ATOM 227 CD PRO A 37 -9.493 -12.177 6.094 1.00 0.00 C ATOM 0 HA PRO A 37 -6.664 -12.034 5.557 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.271 -14.671 5.532 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.912 -14.271 6.565 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.387 -13.820 7.526 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.172 -12.583 7.783 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.450 -12.612 5.805 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.711 -11.238 6.603 1.00 0.00 H new ATOM 235 N GLU A 38 -5.967 -12.085 3.211 1.00 0.00 N ATOM 236 CA GLU A 38 -5.117 -12.289 2.021 1.00 0.00 C ATOM 237 C GLU A 38 -3.637 -12.045 2.243 1.00 0.00 C ATOM 238 O GLU A 38 -2.822 -12.562 1.478 1.00 0.00 O ATOM 239 CB GLU A 38 -5.686 -11.623 0.754 1.00 0.00 C ATOM 240 CG GLU A 38 -5.580 -10.093 0.689 1.00 0.00 C ATOM 241 CD GLU A 38 -6.582 -9.396 1.622 1.00 0.00 C ATOM 242 OE1 GLU A 38 -7.774 -9.269 1.258 1.00 0.00 O ATOM 243 OE2 GLU A 38 -6.177 -8.973 2.731 1.00 0.00 O ATOM 0 H GLU A 38 -6.067 -11.104 3.472 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.162 -13.361 1.831 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.172 -12.039 -0.113 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.737 -11.898 0.664 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.568 -9.790 0.956 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.752 -9.763 -0.336 1.00 0.00 H new ATOM 250 N GLY A 39 -3.304 -11.360 3.327 1.00 0.00 N ATOM 251 CA GLY A 39 -1.991 -11.203 3.925 1.00 0.00 C ATOM 252 C GLY A 39 -0.884 -10.507 3.127 1.00 0.00 C ATOM 253 O GLY A 39 -0.072 -9.784 3.703 1.00 0.00 O ATOM 0 H GLY A 39 -4.014 -10.854 3.857 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.119 -10.653 4.857 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.630 -12.197 4.189 1.00 0.00 H new ATOM 257 N CYS A 40 -0.900 -10.688 1.805 1.00 0.00 N ATOM 258 CA CYS A 40 0.090 -10.339 0.803 1.00 0.00 C ATOM 259 C CYS A 40 1.548 -10.681 1.217 1.00 0.00 C ATOM 260 O CYS A 40 1.783 -11.527 2.082 1.00 0.00 O ATOM 261 CB CYS A 40 -0.129 -8.872 0.391 1.00 0.00 C ATOM 262 SG CYS A 40 -1.884 -8.513 0.051 1.00 0.00 S ATOM 0 H CYS A 40 -1.705 -11.136 1.368 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.055 -10.967 -0.076 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.228 -8.215 1.184 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.465 -8.652 -0.496 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.023 -8.169 -1.195 1.00 0.00 H new ATOM 268 N SER A 41 2.544 -10.058 0.588 1.00 0.00 N ATOM 269 CA SER A 41 3.970 -10.057 0.969 1.00 0.00 C ATOM 270 C SER A 41 4.626 -8.785 0.440 1.00 0.00 C ATOM 271 O SER A 41 4.083 -8.175 -0.484 1.00 0.00 O ATOM 272 CB SER A 41 4.721 -11.264 0.397 1.00 0.00 C ATOM 273 OG SER A 41 4.394 -12.449 1.093 1.00 0.00 O ATOM 0 H SER A 41 2.375 -9.505 -0.252 1.00 0.00 H new ATOM 0 HA SER A 41 4.021 -10.107 2.057 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.476 -11.380 -0.659 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.795 -11.089 0.458 1.00 0.00 H new ATOM 0 HG SER A 41 3.532 -12.336 1.545 1.00 0.00 H new ATOM 279 N TRP A 42 5.776 -8.352 0.973 1.00 0.00 N ATOM 280 CA TRP A 42 6.345 -7.077 0.517 1.00 0.00 C ATOM 281 C TRP A 42 6.711 -7.082 -0.960 1.00 0.00 C ATOM 282 O TRP A 42 6.309 -6.185 -1.693 1.00 0.00 O ATOM 283 CB TRP A 42 7.494 -6.556 1.385 1.00 0.00 C ATOM 284 CG TRP A 42 8.013 -5.192 0.977 1.00 0.00 C ATOM 285 CD1 TRP A 42 9.287 -4.752 1.110 1.00 0.00 C ATOM 286 CD2 TRP A 42 7.297 -4.083 0.332 1.00 0.00 C ATOM 287 NE1 TRP A 42 9.422 -3.500 0.539 1.00 0.00 N ATOM 288 CE2 TRP A 42 8.235 -3.057 -0.002 1.00 0.00 C ATOM 289 CE3 TRP A 42 5.956 -3.843 -0.048 1.00 0.00 C ATOM 290 CZ2 TRP A 42 7.872 -1.902 -0.711 1.00 0.00 C ATOM 291 CZ3 TRP A 42 5.584 -2.713 -0.773 1.00 0.00 C ATOM 292 CH2 TRP A 42 6.532 -1.744 -1.102 1.00 0.00 C ATOM 0 H TRP A 42 6.312 -8.841 1.690 1.00 0.00 H new ATOM 0 HA TRP A 42 5.532 -6.362 0.643 1.00 0.00 H new ATOM 0 HB2 TRP A 42 7.159 -6.510 2.421 1.00 0.00 H new ATOM 0 HB3 TRP A 42 8.316 -7.271 1.347 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.083 -5.300 1.593 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.293 -2.970 0.521 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.197 -4.558 0.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.608 -1.149 -0.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.557 -2.587 -1.082 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.234 -0.868 -1.660 1.00 0.00 H new ATOM 303 N GLN A 43 7.359 -8.142 -1.439 1.00 0.00 N ATOM 304 CA GLN A 43 7.659 -8.251 -2.867 1.00 0.00 C ATOM 305 C GLN A 43 6.440 -8.153 -3.782 1.00 0.00 C ATOM 306 O GLN A 43 6.505 -7.571 -4.866 1.00 0.00 O ATOM 307 CB GLN A 43 8.492 -9.511 -3.165 1.00 0.00 C ATOM 308 CG GLN A 43 7.881 -10.803 -2.588 1.00 0.00 C ATOM 309 CD GLN A 43 8.119 -12.031 -3.462 1.00 0.00 C ATOM 310 OE1 GLN A 43 9.240 -12.383 -3.810 1.00 0.00 O ATOM 311 NE2 GLN A 43 7.075 -12.730 -3.859 1.00 0.00 N ATOM 0 H GLN A 43 7.682 -8.926 -0.872 1.00 0.00 H new ATOM 0 HA GLN A 43 8.257 -7.371 -3.104 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.599 -9.619 -4.244 1.00 0.00 H new ATOM 0 HB3 GLN A 43 9.494 -9.379 -2.757 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.301 -10.984 -1.599 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.808 -10.662 -2.458 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.136 -12.449 -3.577 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.206 -13.552 -4.448 1.00 0.00 H new ATOM 320 N ASP A 44 5.309 -8.649 -3.308 1.00 0.00 N ATOM 321 CA ASP A 44 4.073 -8.717 -4.051 1.00 0.00 C ATOM 322 C ASP A 44 3.386 -7.355 -4.070 1.00 0.00 C ATOM 323 O ASP A 44 2.960 -6.880 -5.128 1.00 0.00 O ATOM 324 CB ASP A 44 3.215 -9.780 -3.376 1.00 0.00 C ATOM 325 CG ASP A 44 3.582 -11.195 -3.841 1.00 0.00 C ATOM 326 OD1 ASP A 44 2.995 -11.669 -4.848 1.00 0.00 O ATOM 327 OD2 ASP A 44 4.469 -11.830 -3.227 1.00 0.00 O ATOM 0 H ASP A 44 5.229 -9.026 -2.364 1.00 0.00 H new ATOM 0 HA ASP A 44 4.246 -8.984 -5.093 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.336 -9.711 -2.295 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.164 -9.589 -3.592 1.00 0.00 H new ATOM 332 N LEU A 45 3.306 -6.707 -2.911 1.00 0.00 N ATOM 333 CA LEU A 45 2.712 -5.389 -2.761 1.00 0.00 C ATOM 334 C LEU A 45 3.502 -4.301 -3.473 1.00 0.00 C ATOM 335 O LEU A 45 2.888 -3.417 -4.065 1.00 0.00 O ATOM 336 CB LEU A 45 2.612 -5.080 -1.279 1.00 0.00 C ATOM 337 CG LEU A 45 1.361 -5.675 -0.638 1.00 0.00 C ATOM 338 CD1 LEU A 45 1.405 -5.292 0.827 1.00 0.00 C ATOM 339 CD2 LEU A 45 0.056 -5.094 -1.183 1.00 0.00 C ATOM 0 H LEU A 45 3.660 -7.093 -2.036 1.00 0.00 H new ATOM 0 HA LEU A 45 1.726 -5.403 -3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.495 -5.467 -0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.610 -3.999 -1.136 1.00 0.00 H new ATOM 0 HG LEU A 45 1.366 -6.747 -0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.529 -5.695 1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.307 -5.700 1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.411 -4.206 0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.789 -5.564 -0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.033 -4.019 -1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.007 -5.284 -2.255 1.00 0.00 H new ATOM 351 N LYS A 46 4.837 -4.391 -3.456 1.00 0.00 N ATOM 352 CA LYS A 46 5.741 -3.609 -4.304 1.00 0.00 C ATOM 353 C LYS A 46 5.312 -3.832 -5.727 1.00 0.00 C ATOM 354 O LYS A 46 4.984 -2.861 -6.386 1.00 0.00 O ATOM 355 CB LYS A 46 7.173 -4.081 -4.056 1.00 0.00 C ATOM 356 CG LYS A 46 8.189 -3.461 -5.032 1.00 0.00 C ATOM 357 CD LYS A 46 9.377 -4.401 -5.216 1.00 0.00 C ATOM 358 CE LYS A 46 9.074 -5.717 -5.962 1.00 0.00 C ATOM 359 NZ LYS A 46 8.603 -5.503 -7.358 1.00 0.00 N ATOM 0 H LYS A 46 5.332 -5.029 -2.833 1.00 0.00 H new ATOM 0 HA LYS A 46 5.703 -2.542 -4.082 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.460 -3.831 -3.035 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.212 -5.167 -4.142 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.713 -3.271 -5.994 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.532 -2.499 -4.651 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.159 -3.868 -5.758 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.780 -4.645 -4.233 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.973 -6.333 -5.979 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.316 -6.274 -5.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.149 -6.371 -7.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.917 -4.721 -7.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.414 -5.268 -7.966 1.00 0.00 H new ATOM 373 N ASP A 47 5.281 -5.082 -6.178 1.00 0.00 N ATOM 374 CA ASP A 47 4.927 -5.408 -7.554 1.00 0.00 C ATOM 375 C ASP A 47 3.650 -4.718 -8.002 1.00 0.00 C ATOM 376 O ASP A 47 3.714 -3.900 -8.923 1.00 0.00 O ATOM 377 CB ASP A 47 4.827 -6.932 -7.743 1.00 0.00 C ATOM 378 CG ASP A 47 5.689 -7.444 -8.893 1.00 0.00 C ATOM 379 OD1 ASP A 47 6.918 -7.186 -8.888 1.00 0.00 O ATOM 380 OD2 ASP A 47 5.127 -8.110 -9.799 1.00 0.00 O ATOM 0 H ASP A 47 5.500 -5.895 -5.602 1.00 0.00 H new ATOM 0 HA ASP A 47 5.728 -5.030 -8.190 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.128 -7.428 -6.820 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.787 -7.203 -7.926 1.00 0.00 H new ATOM 385 N LEU A 48 2.537 -4.945 -7.295 1.00 0.00 N ATOM 386 CA LEU A 48 1.300 -4.248 -7.615 1.00 0.00 C ATOM 387 C LEU A 48 1.506 -2.739 -7.583 1.00 0.00 C ATOM 388 O LEU A 48 1.123 -2.048 -8.518 1.00 0.00 O ATOM 389 CB LEU A 48 0.100 -4.711 -6.775 1.00 0.00 C ATOM 390 CG LEU A 48 -1.193 -3.932 -7.119 1.00 0.00 C ATOM 391 CD1 LEU A 48 -2.452 -4.618 -6.624 1.00 0.00 C ATOM 392 CD2 LEU A 48 -1.232 -2.556 -6.488 1.00 0.00 C ATOM 0 H LEU A 48 2.473 -5.595 -6.512 1.00 0.00 H new ATOM 0 HA LEU A 48 1.035 -4.521 -8.637 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.066 -5.776 -6.938 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.329 -4.582 -5.717 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.170 -3.879 -8.207 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.323 -4.022 -6.897 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.531 -5.605 -7.079 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.408 -4.721 -5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.161 -2.056 -6.763 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.179 -2.651 -5.403 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.385 -1.969 -6.843 1.00 0.00 H new ATOM 404 N ALA A 49 2.102 -2.190 -6.534 1.00 0.00 N ATOM 405 CA ALA A 49 2.307 -0.757 -6.446 1.00 0.00 C ATOM 406 C ALA A 49 3.003 -0.169 -7.682 1.00 0.00 C ATOM 407 O ALA A 49 2.584 0.888 -8.168 1.00 0.00 O ATOM 408 CB ALA A 49 3.073 -0.475 -5.167 1.00 0.00 C ATOM 0 H ALA A 49 2.451 -2.718 -5.734 1.00 0.00 H new ATOM 0 HA ALA A 49 1.338 -0.259 -6.419 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.242 0.598 -5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.496 -0.827 -4.312 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.032 -0.993 -5.195 1.00 0.00 H new ATOM 414 N ARG A 50 3.983 -0.886 -8.250 1.00 0.00 N ATOM 415 CA ARG A 50 4.696 -0.459 -9.461 1.00 0.00 C ATOM 416 C ARG A 50 3.805 -0.616 -10.707 1.00 0.00 C ATOM 417 O ARG A 50 3.920 0.163 -11.650 1.00 0.00 O ATOM 418 CB ARG A 50 6.048 -1.171 -9.655 1.00 0.00 C ATOM 419 CG ARG A 50 6.838 -1.520 -8.383 1.00 0.00 C ATOM 420 CD ARG A 50 6.865 -0.538 -7.204 1.00 0.00 C ATOM 421 NE ARG A 50 7.827 0.569 -7.411 1.00 0.00 N ATOM 422 CZ ARG A 50 9.129 0.552 -7.169 1.00 0.00 C ATOM 423 NH1 ARG A 50 9.729 -0.484 -6.654 1.00 0.00 N ATOM 424 NH2 ARG A 50 9.879 1.576 -7.451 1.00 0.00 N ATOM 0 H ARG A 50 4.304 -1.781 -7.881 1.00 0.00 H new ATOM 0 HA ARG A 50 4.926 0.598 -9.324 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.870 -2.093 -10.208 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.677 -0.540 -10.283 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.448 -2.466 -8.008 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.871 -1.697 -8.681 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.867 -0.125 -7.056 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.126 -1.076 -6.293 1.00 0.00 H new ATOM 0 HE ARG A 50 7.445 1.440 -7.780 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.193 -1.321 -6.423 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.734 -0.458 -6.482 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.466 2.411 -7.866 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.880 1.544 -7.257 1.00 0.00 H new ATOM 438 N GLU A 51 2.881 -1.585 -10.678 1.00 0.00 N ATOM 439 CA GLU A 51 1.786 -1.723 -11.665 1.00 0.00 C ATOM 440 C GLU A 51 0.848 -0.521 -11.715 1.00 0.00 C ATOM 441 O GLU A 51 0.320 -0.144 -12.762 1.00 0.00 O ATOM 442 CB GLU A 51 0.862 -2.935 -11.416 1.00 0.00 C ATOM 443 CG GLU A 51 1.571 -4.290 -11.426 1.00 0.00 C ATOM 444 CD GLU A 51 1.891 -4.841 -12.829 1.00 0.00 C ATOM 445 OE1 GLU A 51 2.206 -4.067 -13.765 1.00 0.00 O ATOM 446 OE2 GLU A 51 1.840 -6.084 -12.997 1.00 0.00 O ATOM 0 H GLU A 51 2.867 -2.309 -9.960 1.00 0.00 H new ATOM 0 HA GLU A 51 2.341 -1.836 -12.596 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.367 -2.806 -10.453 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.082 -2.943 -12.177 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.501 -4.202 -10.865 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.949 -5.014 -10.900 1.00 0.00 H new ATOM 453 N ASN A 52 0.630 0.050 -10.539 1.00 0.00 N ATOM 454 CA ASN A 52 -0.442 0.983 -10.270 1.00 0.00 C ATOM 455 C ASN A 52 -0.042 2.465 -10.351 1.00 0.00 C ATOM 456 O ASN A 52 -0.544 3.177 -11.222 1.00 0.00 O ATOM 457 CB ASN A 52 -0.980 0.527 -8.905 1.00 0.00 C ATOM 458 CG ASN A 52 -2.236 -0.301 -9.074 1.00 0.00 C ATOM 459 OD1 ASN A 52 -3.355 0.172 -8.984 1.00 0.00 O ATOM 460 ND2 ASN A 52 -2.079 -1.565 -9.374 1.00 0.00 N ATOM 0 H ASN A 52 1.215 -0.132 -9.724 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.213 0.957 -11.040 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.220 -0.057 -8.386 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.193 1.397 -8.283 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.895 -2.157 -9.533 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.141 -1.959 -9.449 1.00 0.00 H new ATOM 467 N SER A 53 0.864 2.913 -9.478 1.00 0.00 N ATOM 468 CA SER A 53 1.345 4.305 -9.351 1.00 0.00 C ATOM 469 C SER A 53 2.252 4.547 -8.140 1.00 0.00 C ATOM 470 O SER A 53 2.847 5.622 -8.015 1.00 0.00 O ATOM 471 CB SER A 53 0.190 5.315 -9.224 1.00 0.00 C ATOM 472 OG SER A 53 -0.614 5.057 -8.088 1.00 0.00 O ATOM 0 H SER A 53 1.308 2.290 -8.804 1.00 0.00 H new ATOM 0 HA SER A 53 1.910 4.454 -10.271 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.596 6.325 -9.160 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.427 5.276 -10.122 1.00 0.00 H new ATOM 0 HG SER A 53 -0.955 5.903 -7.730 1.00 0.00 H new ATOM 478 N LEU A 54 2.345 3.581 -7.224 1.00 0.00 N ATOM 479 CA LEU A 54 3.037 3.752 -5.951 1.00 0.00 C ATOM 480 C LEU A 54 4.537 3.510 -6.118 1.00 0.00 C ATOM 481 O LEU A 54 5.025 2.735 -6.941 1.00 0.00 O ATOM 482 CB LEU A 54 2.487 2.805 -4.866 1.00 0.00 C ATOM 483 CG LEU A 54 1.314 3.231 -3.972 1.00 0.00 C ATOM 484 CD1 LEU A 54 1.180 2.213 -2.824 1.00 0.00 C ATOM 485 CD2 LEU A 54 1.561 4.608 -3.375 1.00 0.00 C ATOM 0 H LEU A 54 1.939 2.654 -7.348 1.00 0.00 H new ATOM 0 HA LEU A 54 2.864 4.779 -5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.190 1.883 -5.366 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.318 2.556 -4.206 1.00 0.00 H new ATOM 0 HG LEU A 54 0.405 3.267 -4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.350 2.500 -2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.992 1.222 -3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.103 2.195 -2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.717 4.888 -2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.470 4.586 -2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.674 5.337 -4.177 1.00 0.00 H new ATOM 497 N GLU A 55 5.241 4.192 -5.239 1.00 0.00 N ATOM 498 CA GLU A 55 6.690 4.294 -5.128 1.00 0.00 C ATOM 499 C GLU A 55 7.046 4.886 -3.749 1.00 0.00 C ATOM 500 O GLU A 55 7.664 5.944 -3.610 1.00 0.00 O ATOM 501 CB GLU A 55 7.229 5.108 -6.301 1.00 0.00 C ATOM 502 CG GLU A 55 8.755 5.016 -6.334 1.00 0.00 C ATOM 503 CD GLU A 55 9.293 5.118 -7.771 1.00 0.00 C ATOM 504 OE1 GLU A 55 9.270 4.082 -8.484 1.00 0.00 O ATOM 505 OE2 GLU A 55 9.751 6.209 -8.192 1.00 0.00 O ATOM 0 H GLU A 55 4.775 4.741 -4.516 1.00 0.00 H new ATOM 0 HA GLU A 55 7.165 3.314 -5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.812 4.735 -7.237 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.920 6.149 -6.206 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.182 5.814 -5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.074 4.073 -5.891 1.00 0.00 H new ATOM 512 N THR A 56 6.525 4.234 -2.720 1.00 0.00 N ATOM 513 CA THR A 56 6.694 4.626 -1.313 1.00 0.00 C ATOM 514 C THR A 56 8.135 4.348 -0.832 1.00 0.00 C ATOM 515 O THR A 56 8.990 3.876 -1.585 1.00 0.00 O ATOM 516 CB THR A 56 5.682 3.886 -0.423 1.00 0.00 C ATOM 517 OG1 THR A 56 6.134 2.573 -0.183 1.00 0.00 O ATOM 518 CG2 THR A 56 4.274 3.789 -1.008 1.00 0.00 C ATOM 0 H THR A 56 5.957 3.395 -2.835 1.00 0.00 H new ATOM 0 HA THR A 56 6.509 5.697 -1.236 1.00 0.00 H new ATOM 0 HB THR A 56 5.616 4.479 0.490 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.107 2.389 0.779 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.628 3.252 -0.314 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.878 4.791 -1.171 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.310 3.254 -1.957 1.00 0.00 H new ATOM 526 N THR A 57 8.429 4.597 0.441 1.00 0.00 N ATOM 527 CA THR A 57 9.713 4.244 1.066 1.00 0.00 C ATOM 528 C THR A 57 9.826 2.731 1.224 1.00 0.00 C ATOM 529 O THR A 57 10.863 2.136 0.913 1.00 0.00 O ATOM 530 CB THR A 57 9.818 4.834 2.492 1.00 0.00 C ATOM 531 OG1 THR A 57 9.468 6.198 2.492 1.00 0.00 O ATOM 532 CG2 THR A 57 11.224 4.746 3.078 1.00 0.00 C ATOM 0 H THR A 57 7.779 5.055 1.080 1.00 0.00 H new ATOM 0 HA THR A 57 10.497 4.641 0.422 1.00 0.00 H new ATOM 0 HB THR A 57 9.136 4.237 3.098 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.048 6.428 3.347 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.229 5.177 4.079 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.531 3.702 3.131 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.918 5.296 2.443 1.00 0.00 H new ATOM 540 N PHE A 58 8.750 2.124 1.736 1.00 0.00 N ATOM 541 CA PHE A 58 8.705 0.751 2.230 1.00 0.00 C ATOM 542 C PHE A 58 7.285 0.346 2.626 1.00 0.00 C ATOM 543 O PHE A 58 6.395 1.195 2.712 1.00 0.00 O ATOM 544 CB PHE A 58 9.616 0.691 3.473 1.00 0.00 C ATOM 545 CG PHE A 58 8.997 0.697 4.866 1.00 0.00 C ATOM 546 CD1 PHE A 58 8.633 1.911 5.480 1.00 0.00 C ATOM 547 CD2 PHE A 58 8.849 -0.509 5.583 1.00 0.00 C ATOM 548 CE1 PHE A 58 8.106 1.914 6.782 1.00 0.00 C ATOM 549 CE2 PHE A 58 8.306 -0.507 6.878 1.00 0.00 C ATOM 550 CZ PHE A 58 7.934 0.707 7.477 1.00 0.00 C ATOM 0 H PHE A 58 7.851 2.599 1.819 1.00 0.00 H new ATOM 0 HA PHE A 58 9.035 0.066 1.449 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.221 -0.212 3.390 1.00 0.00 H new ATOM 0 HB3 PHE A 58 10.299 1.539 3.417 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.759 2.842 4.948 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.156 -1.441 5.132 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.832 2.848 7.250 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.175 -1.437 7.412 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.515 0.712 8.473 1.00 0.00 H new ATOM 560 N SER A 59 7.115 -0.936 2.956 1.00 0.00 N ATOM 561 CA SER A 59 5.937 -1.476 3.630 1.00 0.00 C ATOM 562 C SER A 59 6.328 -2.567 4.619 1.00 0.00 C ATOM 563 O SER A 59 7.284 -3.320 4.410 1.00 0.00 O ATOM 564 CB SER A 59 4.961 -2.081 2.643 1.00 0.00 C ATOM 565 OG SER A 59 3.883 -2.758 3.263 1.00 0.00 O ATOM 0 H SER A 59 7.817 -1.648 2.754 1.00 0.00 H new ATOM 0 HA SER A 59 5.468 -0.640 4.150 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.565 -1.292 2.004 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.494 -2.778 1.996 1.00 0.00 H new ATOM 0 HG SER A 59 3.288 -3.124 2.576 1.00 0.00 H new ATOM 571 N SER A 60 5.542 -2.663 5.684 1.00 0.00 N ATOM 572 CA SER A 60 5.563 -3.759 6.635 1.00 0.00 C ATOM 573 C SER A 60 4.514 -4.800 6.249 1.00 0.00 C ATOM 574 O SER A 60 3.333 -4.460 6.142 1.00 0.00 O ATOM 575 CB SER A 60 5.270 -3.193 8.015 1.00 0.00 C ATOM 576 OG SER A 60 4.019 -2.533 8.093 1.00 0.00 O ATOM 0 H SER A 60 4.848 -1.952 5.914 1.00 0.00 H new ATOM 0 HA SER A 60 6.538 -4.246 6.635 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.293 -4.002 8.745 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.060 -2.494 8.289 1.00 0.00 H new ATOM 0 HG SER A 60 3.383 -2.964 7.485 1.00 0.00 H new ATOM 582 N VAL A 61 4.929 -6.055 6.041 1.00 0.00 N ATOM 583 CA VAL A 61 4.040 -7.134 5.576 1.00 0.00 C ATOM 584 C VAL A 61 4.333 -8.466 6.288 1.00 0.00 C ATOM 585 O VAL A 61 5.308 -8.576 7.032 1.00 0.00 O ATOM 586 CB VAL A 61 4.101 -7.294 4.026 1.00 0.00 C ATOM 587 CG1 VAL A 61 2.813 -7.886 3.427 1.00 0.00 C ATOM 588 CG2 VAL A 61 4.304 -5.970 3.277 1.00 0.00 C ATOM 0 H VAL A 61 5.892 -6.355 6.190 1.00 0.00 H new ATOM 0 HA VAL A 61 3.022 -6.846 5.839 1.00 0.00 H new ATOM 0 HB VAL A 61 4.954 -7.960 3.892 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.920 -7.971 2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.634 -8.873 3.853 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.971 -7.233 3.658 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.336 -6.160 2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.478 -5.295 3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.242 -5.513 3.593 1.00 0.00 H new ATOM 598 N ASN A 62 3.497 -9.486 6.054 1.00 0.00 N ATOM 599 CA ASN A 62 3.609 -10.876 6.538 1.00 0.00 C ATOM 600 C ASN A 62 3.394 -11.085 8.059 1.00 0.00 C ATOM 601 O ASN A 62 3.259 -12.226 8.508 1.00 0.00 O ATOM 602 CB ASN A 62 4.906 -11.533 6.002 1.00 0.00 C ATOM 603 CG ASN A 62 4.778 -12.001 4.566 1.00 0.00 C ATOM 604 OD1 ASN A 62 3.974 -12.867 4.253 1.00 0.00 O ATOM 605 ND2 ASN A 62 5.564 -11.481 3.646 1.00 0.00 N ATOM 0 H ASN A 62 2.663 -9.356 5.481 1.00 0.00 H new ATOM 0 HA ASN A 62 2.753 -11.402 6.115 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.726 -10.819 6.075 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.166 -12.382 6.634 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.499 -11.801 2.680 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.237 -10.758 3.900 1.00 0.00 H new ATOM 612 N THR A 63 3.298 -10.014 8.852 1.00 0.00 N ATOM 613 CA THR A 63 2.899 -10.007 10.271 1.00 0.00 C ATOM 614 C THR A 63 2.461 -8.595 10.689 1.00 0.00 C ATOM 615 O THR A 63 2.835 -7.636 10.010 1.00 0.00 O ATOM 616 CB THR A 63 4.045 -10.522 11.166 1.00 0.00 C ATOM 617 OG1 THR A 63 3.578 -10.682 12.491 1.00 0.00 O ATOM 618 CG2 THR A 63 5.278 -9.613 11.201 1.00 0.00 C ATOM 0 H THR A 63 3.507 -9.077 8.508 1.00 0.00 H new ATOM 0 HA THR A 63 2.052 -10.682 10.399 1.00 0.00 H new ATOM 0 HB THR A 63 4.357 -11.468 10.724 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.307 -11.011 13.057 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.034 -10.050 11.853 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.683 -9.510 10.194 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.995 -8.631 11.580 1.00 0.00 H new ATOM 626 N ARG A 64 1.683 -8.499 11.789 1.00 0.00 N ATOM 627 CA ARG A 64 1.187 -7.321 12.571 1.00 0.00 C ATOM 628 C ARG A 64 -0.341 -7.285 12.768 1.00 0.00 C ATOM 629 O ARG A 64 -0.822 -6.603 13.672 1.00 0.00 O ATOM 630 CB ARG A 64 1.631 -5.940 12.002 1.00 0.00 C ATOM 631 CG ARG A 64 0.746 -5.503 10.820 1.00 0.00 C ATOM 632 CD ARG A 64 1.192 -4.280 10.019 1.00 0.00 C ATOM 633 NE ARG A 64 -0.003 -3.720 9.353 1.00 0.00 N ATOM 634 CZ ARG A 64 -0.609 -2.589 9.671 1.00 0.00 C ATOM 635 NH1 ARG A 64 0.012 -1.592 10.229 1.00 0.00 N ATOM 636 NH2 ARG A 64 -1.874 -2.439 9.438 1.00 0.00 N ATOM 0 H ARG A 64 1.335 -9.358 12.215 1.00 0.00 H new ATOM 0 HA ARG A 64 1.665 -7.478 13.538 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.583 -5.189 12.790 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.670 -5.996 11.678 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.664 -6.344 10.132 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.255 -5.307 11.204 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.647 -3.538 10.675 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.945 -4.559 9.282 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.395 -4.255 8.578 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.008 -1.664 10.439 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.496 -0.738 10.457 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -2.406 -3.195 9.008 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.338 -1.565 9.685 1.00 0.00 H new ATOM 650 N ASP A 65 -1.095 -7.985 11.915 1.00 0.00 N ATOM 651 CA ASP A 65 -2.542 -7.770 11.726 1.00 0.00 C ATOM 652 C ASP A 65 -3.419 -9.046 11.759 1.00 0.00 C ATOM 653 O ASP A 65 -2.970 -10.125 12.151 1.00 0.00 O ATOM 654 CB ASP A 65 -2.684 -7.039 10.370 1.00 0.00 C ATOM 655 CG ASP A 65 -3.706 -5.893 10.358 1.00 0.00 C ATOM 656 OD1 ASP A 65 -4.819 -6.076 10.901 1.00 0.00 O ATOM 657 OD2 ASP A 65 -3.389 -4.827 9.776 1.00 0.00 O ATOM 0 H ASP A 65 -0.717 -8.728 11.326 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.917 -7.192 12.571 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.710 -6.641 10.084 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.967 -7.767 9.609 1.00 0.00 H new ATOM 662 N PHE A 66 -4.676 -8.905 11.313 1.00 0.00 N ATOM 663 CA PHE A 66 -5.741 -9.915 11.165 1.00 0.00 C ATOM 664 C PHE A 66 -5.343 -11.277 10.534 1.00 0.00 C ATOM 665 O PHE A 66 -5.993 -12.293 10.785 1.00 0.00 O ATOM 666 CB PHE A 66 -6.912 -9.245 10.401 1.00 0.00 C ATOM 667 CG PHE A 66 -6.829 -9.175 8.880 1.00 0.00 C ATOM 668 CD1 PHE A 66 -5.595 -9.080 8.205 1.00 0.00 C ATOM 669 CD2 PHE A 66 -8.005 -9.222 8.104 1.00 0.00 C ATOM 670 CE1 PHE A 66 -5.517 -9.219 6.814 1.00 0.00 C ATOM 671 CE2 PHE A 66 -7.929 -9.282 6.694 1.00 0.00 C ATOM 672 CZ PHE A 66 -6.680 -9.369 6.060 1.00 0.00 C ATOM 0 H PHE A 66 -5.008 -7.988 11.016 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.023 -10.218 12.174 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -7.827 -9.776 10.661 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.017 -8.227 10.777 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.694 -8.897 8.771 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -8.970 -9.212 8.590 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.554 -9.210 6.324 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.833 -9.261 6.104 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.620 -9.551 4.997 1.00 0.00 H new ATOM 682 N ASP A 67 -4.275 -11.302 9.736 1.00 0.00 N ATOM 683 CA ASP A 67 -3.612 -12.469 9.129 1.00 0.00 C ATOM 684 C ASP A 67 -2.211 -12.066 8.605 1.00 0.00 C ATOM 685 O ASP A 67 -1.237 -12.790 8.809 1.00 0.00 O ATOM 686 CB ASP A 67 -4.493 -13.119 8.039 1.00 0.00 C ATOM 687 CG ASP A 67 -3.976 -12.932 6.608 1.00 0.00 C ATOM 688 OD1 ASP A 67 -4.221 -11.849 6.036 1.00 0.00 O ATOM 689 OD2 ASP A 67 -3.320 -13.856 6.072 1.00 0.00 O ATOM 0 H ASP A 67 -3.808 -10.435 9.472 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.472 -13.233 9.893 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.576 -14.186 8.245 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.498 -12.702 8.106 1.00 0.00 H new ATOM 694 N GLY A 68 -2.090 -10.866 8.023 1.00 0.00 N ATOM 695 CA GLY A 68 -0.820 -10.225 7.662 1.00 0.00 C ATOM 696 C GLY A 68 -0.953 -8.729 7.362 1.00 0.00 C ATOM 697 O GLY A 68 -0.446 -7.936 8.150 1.00 0.00 O ATOM 0 H GLY A 68 -2.901 -10.296 7.783 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.109 -10.362 8.477 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.405 -10.727 6.788 1.00 0.00 H new ATOM 701 N THR A 69 -1.677 -8.373 6.288 1.00 0.00 N ATOM 702 CA THR A 69 -1.764 -7.036 5.644 1.00 0.00 C ATOM 703 C THR A 69 -0.407 -6.449 5.276 1.00 0.00 C ATOM 704 O THR A 69 0.645 -6.861 5.762 1.00 0.00 O ATOM 705 CB THR A 69 -2.575 -5.957 6.403 1.00 0.00 C ATOM 706 OG1 THR A 69 -1.889 -5.388 7.494 1.00 0.00 O ATOM 707 CG2 THR A 69 -3.908 -6.463 6.905 1.00 0.00 C ATOM 0 H THR A 69 -2.262 -9.056 5.806 1.00 0.00 H new ATOM 0 HA THR A 69 -2.327 -7.278 4.742 1.00 0.00 H new ATOM 0 HB THR A 69 -2.733 -5.188 5.647 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.529 -5.162 8.201 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.428 -5.661 7.428 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.512 -6.797 6.061 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.747 -7.297 7.588 1.00 0.00 H new ATOM 715 N GLY A 70 -0.439 -5.469 4.373 1.00 0.00 N ATOM 716 CA GLY A 70 0.689 -4.588 4.136 1.00 0.00 C ATOM 717 C GLY A 70 0.387 -3.243 4.758 1.00 0.00 C ATOM 718 O GLY A 70 -0.778 -2.845 4.858 1.00 0.00 O ATOM 0 H GLY A 70 -1.251 -5.269 3.789 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.596 -5.010 4.568 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.866 -4.479 3.066 1.00 0.00 H new ATOM 722 N ALA A 71 1.426 -2.516 5.144 1.00 0.00 N ATOM 723 CA ALA A 71 1.269 -1.132 5.535 1.00 0.00 C ATOM 724 C ALA A 71 2.475 -0.301 5.099 1.00 0.00 C ATOM 725 O ALA A 71 3.579 -0.478 5.614 1.00 0.00 O ATOM 726 CB ALA A 71 0.974 -1.049 7.033 1.00 0.00 C ATOM 0 H ALA A 71 2.383 -2.865 5.193 1.00 0.00 H new ATOM 0 HA ALA A 71 0.413 -0.696 5.020 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.856 -0.005 7.323 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.055 -1.593 7.254 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.800 -1.490 7.591 1.00 0.00 H new ATOM 732 N LEU A 72 2.252 0.595 4.135 1.00 0.00 N ATOM 733 CA LEU A 72 3.291 1.329 3.419 1.00 0.00 C ATOM 734 C LEU A 72 3.512 2.711 4.050 1.00 0.00 C ATOM 735 O LEU A 72 2.565 3.306 4.560 1.00 0.00 O ATOM 736 CB LEU A 72 2.834 1.643 1.991 1.00 0.00 C ATOM 737 CG LEU A 72 2.653 0.596 0.885 1.00 0.00 C ATOM 738 CD1 LEU A 72 3.981 0.263 0.209 1.00 0.00 C ATOM 739 CD2 LEU A 72 1.867 -0.631 1.325 1.00 0.00 C ATOM 0 H LEU A 72 1.311 0.836 3.823 1.00 0.00 H new ATOM 0 HA LEU A 72 4.185 0.707 3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.874 2.150 2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.543 2.374 1.601 1.00 0.00 H new ATOM 0 HG LEU A 72 2.021 1.054 0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.816 -0.482 -0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.399 1.166 -0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.677 -0.133 0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.780 -1.326 0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.386 -1.119 2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.872 -0.328 1.650 1.00 0.00 H new ATOM 751 N GLU A 73 4.691 3.297 3.888 1.00 0.00 N ATOM 752 CA GLU A 73 5.016 4.649 4.414 1.00 0.00 C ATOM 753 C GLU A 73 5.684 5.577 3.384 1.00 0.00 C ATOM 754 O GLU A 73 6.488 5.114 2.566 1.00 0.00 O ATOM 755 CB GLU A 73 5.957 4.473 5.624 1.00 0.00 C ATOM 756 CG GLU A 73 6.564 5.747 6.244 1.00 0.00 C ATOM 757 CD GLU A 73 8.038 5.956 5.838 1.00 0.00 C ATOM 758 OE1 GLU A 73 8.932 5.351 6.479 1.00 0.00 O ATOM 759 OE2 GLU A 73 8.315 6.745 4.908 1.00 0.00 O ATOM 0 H GLU A 73 5.464 2.859 3.387 1.00 0.00 H new ATOM 0 HA GLU A 73 4.076 5.128 4.686 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.406 3.948 6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.777 3.823 5.320 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.979 6.613 5.934 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.494 5.688 7.330 1.00 0.00 H new ATOM 766 N PHE A 74 5.403 6.889 3.446 1.00 0.00 N ATOM 767 CA PHE A 74 6.165 7.917 2.724 1.00 0.00 C ATOM 768 C PHE A 74 6.248 9.270 3.465 1.00 0.00 C ATOM 769 O PHE A 74 5.333 9.610 4.226 1.00 0.00 O ATOM 770 CB PHE A 74 5.538 8.220 1.347 1.00 0.00 C ATOM 771 CG PHE A 74 6.554 8.643 0.299 1.00 0.00 C ATOM 772 CD1 PHE A 74 7.657 7.826 0.013 1.00 0.00 C ATOM 773 CD2 PHE A 74 6.478 9.911 -0.297 1.00 0.00 C ATOM 774 CE1 PHE A 74 8.662 8.242 -0.865 1.00 0.00 C ATOM 775 CE2 PHE A 74 7.489 10.348 -1.174 1.00 0.00 C ATOM 776 CZ PHE A 74 8.578 9.510 -1.465 1.00 0.00 C ATOM 0 H PHE A 74 4.636 7.267 4.002 1.00 0.00 H new ATOM 0 HA PHE A 74 7.164 7.490 2.634 1.00 0.00 H new ATOM 0 HB2 PHE A 74 5.011 7.334 0.994 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.795 9.009 1.461 1.00 0.00 H new ATOM 0 HD1 PHE A 74 7.732 6.855 0.481 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.639 10.556 -0.082 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.498 7.593 -1.081 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.427 11.328 -1.623 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.348 9.839 -2.147 1.00 0.00 H new ATOM 786 N PRO A 75 7.262 10.115 3.178 1.00 0.00 N ATOM 787 CA PRO A 75 7.321 11.511 3.624 1.00 0.00 C ATOM 788 C PRO A 75 6.295 12.495 3.005 1.00 0.00 C ATOM 789 O PRO A 75 6.332 13.673 3.369 1.00 0.00 O ATOM 790 CB PRO A 75 8.741 11.993 3.303 1.00 0.00 C ATOM 791 CG PRO A 75 9.560 10.710 3.283 1.00 0.00 C ATOM 792 CD PRO A 75 8.572 9.722 2.673 1.00 0.00 C ATOM 0 HA PRO A 75 7.061 11.514 4.683 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.782 12.509 2.344 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.107 12.691 4.056 1.00 0.00 H new ATOM 0 HG2 PRO A 75 10.463 10.810 2.681 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.875 10.410 4.282 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.600 9.761 1.584 1.00 0.00 H new ATOM 0 HD3 PRO A 75 8.812 8.699 2.961 1.00 0.00 H new ATOM 800 N SER A 76 5.406 12.084 2.088 1.00 0.00 N ATOM 801 CA SER A 76 4.562 13.012 1.302 1.00 0.00 C ATOM 802 C SER A 76 3.182 12.428 1.023 1.00 0.00 C ATOM 803 O SER A 76 3.052 11.429 0.309 1.00 0.00 O ATOM 804 CB SER A 76 5.243 13.342 -0.023 1.00 0.00 C ATOM 805 OG SER A 76 6.660 13.477 0.070 1.00 0.00 O ATOM 0 H SER A 76 5.248 11.101 1.867 1.00 0.00 H new ATOM 0 HA SER A 76 4.435 13.917 1.896 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.010 12.559 -0.744 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.825 14.270 -0.413 1.00 0.00 H new ATOM 0 HG SER A 76 7.088 12.650 -0.234 1.00 0.00 H new ATOM 811 N GLU A 77 2.136 13.047 1.579 1.00 0.00 N ATOM 812 CA GLU A 77 0.746 12.584 1.456 1.00 0.00 C ATOM 813 C GLU A 77 0.221 12.456 0.024 1.00 0.00 C ATOM 814 O GLU A 77 -0.758 11.752 -0.200 1.00 0.00 O ATOM 815 CB GLU A 77 -0.232 13.430 2.275 1.00 0.00 C ATOM 816 CG GLU A 77 -0.213 14.934 1.965 1.00 0.00 C ATOM 817 CD GLU A 77 -0.788 15.716 3.163 1.00 0.00 C ATOM 818 OE1 GLU A 77 -2.000 15.588 3.460 1.00 0.00 O ATOM 819 OE2 GLU A 77 -0.017 16.387 3.892 1.00 0.00 O ATOM 0 H GLU A 77 2.230 13.896 2.136 1.00 0.00 H new ATOM 0 HA GLU A 77 0.793 11.574 1.864 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.241 13.054 2.108 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -0.011 13.290 3.333 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.807 15.261 1.760 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.799 15.138 1.069 1.00 0.00 H new ATOM 826 N GLU A 78 0.878 13.068 -0.954 1.00 0.00 N ATOM 827 CA GLU A 78 0.600 12.839 -2.375 1.00 0.00 C ATOM 828 C GLU A 78 0.556 11.341 -2.709 1.00 0.00 C ATOM 829 O GLU A 78 -0.388 10.889 -3.359 1.00 0.00 O ATOM 830 CB GLU A 78 1.629 13.587 -3.237 1.00 0.00 C ATOM 831 CG GLU A 78 1.736 15.083 -2.900 1.00 0.00 C ATOM 832 CD GLU A 78 2.912 15.392 -1.961 1.00 0.00 C ATOM 833 OE1 GLU A 78 2.717 15.307 -0.725 1.00 0.00 O ATOM 834 OE2 GLU A 78 4.016 15.724 -2.457 1.00 0.00 O ATOM 0 H GLU A 78 1.625 13.743 -0.787 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.390 13.235 -2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.606 13.122 -3.108 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.360 13.477 -4.288 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.852 15.652 -3.822 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.807 15.415 -2.435 1.00 0.00 H new ATOM 841 N ILE A 79 1.514 10.564 -2.190 1.00 0.00 N ATOM 842 CA ILE A 79 1.643 9.111 -2.403 1.00 0.00 C ATOM 843 C ILE A 79 0.568 8.319 -1.624 1.00 0.00 C ATOM 844 O ILE A 79 -0.035 7.366 -2.140 1.00 0.00 O ATOM 845 CB ILE A 79 3.088 8.685 -2.021 1.00 0.00 C ATOM 846 CG1 ILE A 79 4.148 9.565 -2.733 1.00 0.00 C ATOM 847 CG2 ILE A 79 3.308 7.194 -2.290 1.00 0.00 C ATOM 848 CD1 ILE A 79 5.431 8.894 -3.254 1.00 0.00 C ATOM 0 H ILE A 79 2.248 10.939 -1.589 1.00 0.00 H new ATOM 0 HA ILE A 79 1.470 8.877 -3.454 1.00 0.00 H new ATOM 0 HB ILE A 79 3.213 8.846 -0.950 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.661 10.051 -3.579 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.444 10.353 -2.040 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.327 6.921 -2.014 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.603 6.610 -1.699 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.151 6.988 -3.349 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.068 9.643 -3.725 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.965 8.435 -2.422 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.170 8.128 -3.985 1.00 0.00 H new ATOM 860 N LEU A 80 0.270 8.771 -0.393 1.00 0.00 N ATOM 861 CA LEU A 80 -0.803 8.232 0.437 1.00 0.00 C ATOM 862 C LEU A 80 -2.143 8.316 -0.298 1.00 0.00 C ATOM 863 O LEU A 80 -2.830 7.315 -0.502 1.00 0.00 O ATOM 864 CB LEU A 80 -0.839 9.024 1.770 1.00 0.00 C ATOM 865 CG LEU A 80 -2.173 9.218 2.531 1.00 0.00 C ATOM 866 CD1 LEU A 80 -2.732 7.929 3.093 1.00 0.00 C ATOM 867 CD2 LEU A 80 -1.992 10.155 3.723 1.00 0.00 C ATOM 0 H LEU A 80 0.780 9.533 0.053 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.619 7.179 0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.146 8.534 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.437 10.017 1.566 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.859 9.626 1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.667 8.135 3.614 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.917 7.227 2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.016 7.495 3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.944 10.274 4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.257 9.734 4.409 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.646 11.127 3.372 1.00 0.00 H new ATOM 879 N VAL A 81 -2.482 9.535 -0.732 1.00 0.00 N ATOM 880 CA VAL A 81 -3.769 9.912 -1.327 1.00 0.00 C ATOM 881 C VAL A 81 -3.934 9.264 -2.675 1.00 0.00 C ATOM 882 O VAL A 81 -5.035 8.832 -3.011 1.00 0.00 O ATOM 883 CB VAL A 81 -3.883 11.444 -1.451 1.00 0.00 C ATOM 884 CG1 VAL A 81 -5.088 11.919 -2.276 1.00 0.00 C ATOM 885 CG2 VAL A 81 -4.024 12.071 -0.064 1.00 0.00 C ATOM 0 H VAL A 81 -1.836 10.322 -0.675 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.566 9.560 -0.671 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.972 11.755 -1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.096 13.008 -2.315 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.016 11.520 -3.288 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.009 11.566 -1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.104 13.154 -0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.919 11.683 0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.149 11.824 0.538 1.00 0.00 H new ATOM 895 N GLU A 82 -2.831 9.135 -3.402 1.00 0.00 N ATOM 896 CA GLU A 82 -2.742 8.316 -4.569 1.00 0.00 C ATOM 897 C GLU A 82 -3.285 6.919 -4.250 1.00 0.00 C ATOM 898 O GLU A 82 -4.409 6.613 -4.632 1.00 0.00 O ATOM 899 CB GLU A 82 -1.262 8.285 -4.935 1.00 0.00 C ATOM 900 CG GLU A 82 -0.871 9.150 -6.122 1.00 0.00 C ATOM 901 CD GLU A 82 -1.509 8.730 -7.449 1.00 0.00 C ATOM 902 OE1 GLU A 82 -1.642 7.514 -7.712 1.00 0.00 O ATOM 903 OE2 GLU A 82 -1.891 9.618 -8.249 1.00 0.00 O ATOM 0 H GLU A 82 -1.960 9.616 -3.177 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.331 8.697 -5.403 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.683 8.603 -4.068 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.978 7.254 -5.148 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.148 10.183 -5.910 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.213 9.127 -6.231 1.00 0.00 H new ATOM 910 N ALA A 83 -2.584 6.104 -3.460 1.00 0.00 N ATOM 911 CA ALA A 83 -3.066 4.740 -3.157 1.00 0.00 C ATOM 912 C ALA A 83 -4.504 4.683 -2.597 1.00 0.00 C ATOM 913 O ALA A 83 -5.273 3.816 -3.012 1.00 0.00 O ATOM 914 CB ALA A 83 -2.081 4.063 -2.221 1.00 0.00 C ATOM 0 H ALA A 83 -1.696 6.351 -3.022 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.119 4.202 -4.104 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.430 3.056 -1.993 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.103 4.009 -2.699 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.002 4.638 -1.298 1.00 0.00 H new ATOM 920 N LEU A 84 -4.912 5.645 -1.765 1.00 0.00 N ATOM 921 CA LEU A 84 -6.287 5.744 -1.236 1.00 0.00 C ATOM 922 C LEU A 84 -7.325 5.942 -2.329 1.00 0.00 C ATOM 923 O LEU A 84 -8.460 5.483 -2.198 1.00 0.00 O ATOM 924 CB LEU A 84 -6.470 6.887 -0.210 1.00 0.00 C ATOM 925 CG LEU A 84 -5.650 6.914 1.075 1.00 0.00 C ATOM 926 CD1 LEU A 84 -6.462 7.599 2.167 1.00 0.00 C ATOM 927 CD2 LEU A 84 -5.267 5.527 1.538 1.00 0.00 C ATOM 0 H LEU A 84 -4.296 6.387 -1.433 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.443 4.785 -0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.277 7.823 -0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.521 6.894 0.079 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.729 7.461 0.872 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.883 7.623 3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.698 8.618 1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.387 7.047 2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.684 5.598 2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.169 4.944 1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.671 5.038 0.767 1.00 0.00 H new ATOM 939 N GLU A 85 -6.943 6.597 -3.422 1.00 0.00 N ATOM 940 CA GLU A 85 -7.794 6.769 -4.587 1.00 0.00 C ATOM 941 C GLU A 85 -7.521 5.757 -5.724 1.00 0.00 C ATOM 942 O GLU A 85 -8.298 5.704 -6.679 1.00 0.00 O ATOM 943 CB GLU A 85 -7.614 8.187 -5.150 1.00 0.00 C ATOM 944 CG GLU A 85 -8.104 9.311 -4.232 1.00 0.00 C ATOM 945 CD GLU A 85 -7.850 10.718 -4.826 1.00 0.00 C ATOM 946 OE1 GLU A 85 -7.398 10.850 -5.994 1.00 0.00 O ATOM 947 OE2 GLU A 85 -8.151 11.721 -4.136 1.00 0.00 O ATOM 0 H GLU A 85 -6.023 7.026 -3.521 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.812 6.595 -4.240 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.557 8.346 -5.363 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.145 8.256 -6.100 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.171 9.186 -4.048 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.603 9.232 -3.267 1.00 0.00 H new ATOM 954 N ARG A 86 -6.440 4.957 -5.658 1.00 0.00 N ATOM 955 CA ARG A 86 -5.939 4.144 -6.774 1.00 0.00 C ATOM 956 C ARG A 86 -6.058 2.651 -6.512 1.00 0.00 C ATOM 957 O ARG A 86 -6.250 1.887 -7.456 1.00 0.00 O ATOM 958 CB ARG A 86 -4.470 4.545 -7.031 1.00 0.00 C ATOM 959 CG ARG A 86 -4.258 5.528 -8.189 1.00 0.00 C ATOM 960 CD ARG A 86 -4.891 6.871 -7.799 1.00 0.00 C ATOM 961 NE ARG A 86 -4.538 8.044 -8.606 1.00 0.00 N ATOM 962 CZ ARG A 86 -5.173 9.190 -8.423 1.00 0.00 C ATOM 963 NH1 ARG A 86 -6.440 9.243 -8.121 1.00 0.00 N ATOM 964 NH2 ARG A 86 -4.527 10.313 -8.467 1.00 0.00 N ATOM 0 H ARG A 86 -5.882 4.858 -4.810 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.551 4.338 -7.655 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.066 4.987 -6.121 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.893 3.642 -7.231 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.194 5.653 -8.391 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.713 5.144 -9.102 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.974 6.754 -7.830 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.623 7.082 -6.764 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.802 7.976 -9.309 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.976 8.381 -8.018 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.895 10.146 -7.988 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.522 10.317 -8.644 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.023 11.193 -8.325 1.00 0.00 H new ATOM 978 N LEU A 87 -5.979 2.247 -5.237 1.00 0.00 N ATOM 979 CA LEU A 87 -5.931 0.875 -4.783 1.00 0.00 C ATOM 980 C LEU A 87 -7.085 0.541 -3.821 1.00 0.00 C ATOM 981 O LEU A 87 -7.134 -0.571 -3.316 1.00 0.00 O ATOM 982 CB LEU A 87 -4.564 0.623 -4.114 1.00 0.00 C ATOM 983 CG LEU A 87 -3.388 0.389 -5.055 1.00 0.00 C ATOM 984 CD1 LEU A 87 -3.022 1.559 -5.927 1.00 0.00 C ATOM 985 CD2 LEU A 87 -2.157 -0.114 -4.308 1.00 0.00 C ATOM 0 H LEU A 87 -5.946 2.912 -4.465 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.050 0.218 -5.644 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.330 1.478 -3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.657 -0.244 -3.460 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.747 -0.385 -5.734 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.175 1.291 -6.559 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.873 1.825 -6.554 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.753 2.410 -5.301 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.341 -0.269 -5.014 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.857 0.623 -3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.392 -1.056 -3.813 1.00 0.00 H new ATOM 997 N ASN A 88 -8.030 1.446 -3.550 1.00 0.00 N ATOM 998 CA ASN A 88 -9.086 1.133 -2.592 1.00 0.00 C ATOM 999 C ASN A 88 -10.116 0.111 -3.115 1.00 0.00 C ATOM 1000 O ASN A 88 -10.941 0.407 -3.977 1.00 0.00 O ATOM 1001 CB ASN A 88 -9.726 2.397 -2.012 1.00 0.00 C ATOM 1002 CG ASN A 88 -10.562 2.043 -0.791 1.00 0.00 C ATOM 1003 OD1 ASN A 88 -10.254 1.125 -0.041 1.00 0.00 O ATOM 1004 ND2 ASN A 88 -11.656 2.723 -0.568 1.00 0.00 N ATOM 0 H ASN A 88 -8.084 2.375 -3.968 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.597 0.624 -1.761 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.952 3.114 -1.738 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -10.352 2.876 -2.765 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -12.249 2.488 0.228 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -11.916 3.488 -1.190 1.00 0.00 H new ATOM 1011 N ASN A 89 -10.054 -1.092 -2.541 1.00 0.00 N ATOM 1012 CA ASN A 89 -10.831 -2.295 -2.850 1.00 0.00 C ATOM 1013 C ASN A 89 -10.619 -2.823 -4.286 1.00 0.00 C ATOM 1014 O ASN A 89 -11.523 -3.393 -4.898 1.00 0.00 O ATOM 1015 CB ASN A 89 -12.281 -2.121 -2.367 1.00 0.00 C ATOM 1016 CG ASN A 89 -12.933 -3.455 -2.041 1.00 0.00 C ATOM 1017 OD1 ASN A 89 -13.825 -3.935 -2.725 1.00 0.00 O ATOM 1018 ND2 ASN A 89 -12.505 -4.093 -0.973 1.00 0.00 N ATOM 0 H ASN A 89 -9.399 -1.265 -1.778 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.441 -3.135 -2.276 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -12.295 -1.484 -1.483 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -12.861 -1.611 -3.136 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -12.918 -4.989 -0.715 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.761 -3.691 -0.403 1.00 0.00 H new ATOM 1025 N ILE A 90 -9.405 -2.633 -4.824 1.00 0.00 N ATOM 1026 CA ILE A 90 -8.983 -3.149 -6.135 1.00 0.00 C ATOM 1027 C ILE A 90 -8.601 -4.609 -6.063 1.00 0.00 C ATOM 1028 O ILE A 90 -8.034 -5.055 -5.072 1.00 0.00 O ATOM 1029 CB ILE A 90 -7.812 -2.338 -6.751 1.00 0.00 C ATOM 1030 CG1 ILE A 90 -6.469 -2.514 -6.015 1.00 0.00 C ATOM 1031 CG2 ILE A 90 -8.258 -0.877 -6.905 1.00 0.00 C ATOM 1032 CD1 ILE A 90 -5.281 -2.224 -6.915 1.00 0.00 C ATOM 0 H ILE A 90 -8.673 -2.105 -4.349 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.849 -3.037 -6.787 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.590 -2.740 -7.740 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.440 -1.849 -5.152 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.395 -3.533 -5.635 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.446 -0.292 -7.337 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.128 -0.829 -7.560 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.517 -0.471 -5.927 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.357 -2.361 -6.353 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.293 -2.906 -7.765 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.339 -1.196 -7.274 1.00 0.00 H new ATOM 1044 N GLU A 91 -8.872 -5.343 -7.133 1.00 0.00 N ATOM 1045 CA GLU A 91 -8.359 -6.692 -7.307 1.00 0.00 C ATOM 1046 C GLU A 91 -6.875 -6.677 -7.706 1.00 0.00 C ATOM 1047 O GLU A 91 -6.435 -6.014 -8.651 1.00 0.00 O ATOM 1048 CB GLU A 91 -9.231 -7.478 -8.280 1.00 0.00 C ATOM 1049 CG GLU A 91 -8.939 -8.985 -8.211 1.00 0.00 C ATOM 1050 CD GLU A 91 -8.224 -9.489 -9.476 1.00 0.00 C ATOM 1051 OE1 GLU A 91 -6.976 -9.387 -9.528 1.00 0.00 O ATOM 1052 OE2 GLU A 91 -8.895 -10.007 -10.400 1.00 0.00 O ATOM 0 H GLU A 91 -9.454 -5.018 -7.905 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.409 -7.211 -6.350 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.282 -7.300 -8.053 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.059 -7.120 -9.295 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.322 -9.196 -7.337 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.874 -9.530 -8.081 1.00 0.00 H new ATOM 1059 N PHE A 92 -6.127 -7.437 -6.927 1.00 0.00 N ATOM 1060 CA PHE A 92 -4.684 -7.620 -6.898 1.00 0.00 C ATOM 1061 C PHE A 92 -4.316 -9.068 -7.274 1.00 0.00 C ATOM 1062 O PHE A 92 -4.349 -9.965 -6.427 1.00 0.00 O ATOM 1063 CB PHE A 92 -4.226 -7.336 -5.459 1.00 0.00 C ATOM 1064 CG PHE A 92 -2.755 -7.415 -5.103 1.00 0.00 C ATOM 1065 CD1 PHE A 92 -1.768 -7.751 -6.055 1.00 0.00 C ATOM 1066 CD2 PHE A 92 -2.401 -7.314 -3.748 1.00 0.00 C ATOM 1067 CE1 PHE A 92 -0.434 -7.921 -5.661 1.00 0.00 C ATOM 1068 CE2 PHE A 92 -1.069 -7.499 -3.355 1.00 0.00 C ATOM 1069 CZ PHE A 92 -0.089 -7.762 -4.318 1.00 0.00 C ATOM 0 H PHE A 92 -6.571 -8.012 -6.211 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.201 -6.952 -7.612 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.569 -6.334 -5.202 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.755 -8.031 -4.807 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.042 -7.878 -7.092 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.156 -7.094 -3.008 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.321 -8.173 -6.391 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.799 -7.439 -2.311 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.946 -7.843 -4.019 1.00 0.00 H new ATOM 1079 N ARG A 93 -3.960 -9.304 -8.548 1.00 0.00 N ATOM 1080 CA ARG A 93 -3.594 -10.617 -9.125 1.00 0.00 C ATOM 1081 C ARG A 93 -4.448 -11.824 -8.654 1.00 0.00 C ATOM 1082 O ARG A 93 -3.956 -12.955 -8.617 1.00 0.00 O ATOM 1083 CB ARG A 93 -2.078 -10.881 -8.949 1.00 0.00 C ATOM 1084 CG ARG A 93 -1.139 -9.800 -9.520 1.00 0.00 C ATOM 1085 CD ARG A 93 0.293 -10.362 -9.609 1.00 0.00 C ATOM 1086 NE ARG A 93 1.357 -9.352 -9.813 1.00 0.00 N ATOM 1087 CZ ARG A 93 1.503 -8.477 -10.793 1.00 0.00 C ATOM 1088 NH1 ARG A 93 0.603 -8.239 -11.702 1.00 0.00 N ATOM 1089 NH2 ARG A 93 2.589 -7.782 -10.928 1.00 0.00 N ATOM 0 H ARG A 93 -3.916 -8.554 -9.238 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.832 -10.537 -10.186 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.869 -10.992 -7.885 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.837 -11.833 -9.423 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.482 -9.489 -10.507 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.155 -8.915 -8.884 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.508 -10.912 -8.693 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.334 -11.080 -10.428 1.00 0.00 H new ATOM 0 HE ARG A 93 2.081 -9.328 -9.094 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.284 -8.743 -11.686 1.00 0.00 H new ATOM 0 HH12 ARG A 93 0.784 -7.548 -12.430 1.00 0.00 H new ATOM 0 HH21 ARG A 93 3.358 -7.904 -10.269 1.00 0.00 H new ATOM 0 HH22 ARG A 93 2.675 -7.114 -11.694 1.00 0.00 H new ATOM 1103 N GLY A 94 -5.706 -11.600 -8.264 1.00 0.00 N ATOM 1104 CA GLY A 94 -6.629 -12.613 -7.730 1.00 0.00 C ATOM 1105 C GLY A 94 -7.089 -12.455 -6.266 1.00 0.00 C ATOM 1106 O GLY A 94 -7.715 -13.382 -5.756 1.00 0.00 O ATOM 0 H GLY A 94 -6.129 -10.673 -8.312 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.517 -12.626 -8.362 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.153 -13.588 -7.830 1.00 0.00 H new ATOM 1110 N SER A 95 -6.830 -11.341 -5.572 1.00 0.00 N ATOM 1111 CA SER A 95 -7.373 -11.028 -4.240 1.00 0.00 C ATOM 1112 C SER A 95 -7.600 -9.531 -4.196 1.00 0.00 C ATOM 1113 O SER A 95 -6.755 -8.798 -4.662 1.00 0.00 O ATOM 1114 CB SER A 95 -6.348 -11.342 -3.143 1.00 0.00 C ATOM 1115 OG SER A 95 -6.272 -12.736 -2.889 1.00 0.00 O ATOM 0 H SER A 95 -6.218 -10.608 -5.931 1.00 0.00 H new ATOM 0 HA SER A 95 -8.279 -11.611 -4.076 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.368 -10.971 -3.442 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.621 -10.818 -2.227 1.00 0.00 H new ATOM 0 HG SER A 95 -6.649 -13.228 -3.648 1.00 0.00 H new ATOM 1121 N VAL A 96 -8.697 -9.020 -3.658 1.00 0.00 N ATOM 1122 CA VAL A 96 -8.875 -7.562 -3.533 1.00 0.00 C ATOM 1123 C VAL A 96 -8.194 -7.007 -2.280 1.00 0.00 C ATOM 1124 O VAL A 96 -7.954 -7.746 -1.321 1.00 0.00 O ATOM 1125 CB VAL A 96 -10.318 -7.051 -3.740 1.00 0.00 C ATOM 1126 CG1 VAL A 96 -11.115 -7.896 -4.733 1.00 0.00 C ATOM 1127 CG2 VAL A 96 -11.156 -6.864 -2.488 1.00 0.00 C ATOM 0 H VAL A 96 -9.474 -9.576 -3.302 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.349 -7.140 -4.389 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.136 -6.055 -4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.120 -7.486 -4.835 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.618 -7.883 -5.703 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.177 -8.922 -4.370 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.147 -6.502 -2.764 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.250 -7.817 -1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -10.674 -6.138 -1.833 1.00 0.00 H new ATOM 1137 N ILE A 97 -7.917 -5.703 -2.252 1.00 0.00 N ATOM 1138 CA ILE A 97 -7.347 -4.978 -1.108 1.00 0.00 C ATOM 1139 C ILE A 97 -8.011 -3.616 -0.952 1.00 0.00 C ATOM 1140 O ILE A 97 -7.973 -2.782 -1.837 1.00 0.00 O ATOM 1141 CB ILE A 97 -5.822 -4.760 -1.227 1.00 0.00 C ATOM 1142 CG1 ILE A 97 -5.393 -4.487 -2.678 1.00 0.00 C ATOM 1143 CG2 ILE A 97 -5.049 -5.933 -0.608 1.00 0.00 C ATOM 1144 CD1 ILE A 97 -3.980 -3.910 -2.776 1.00 0.00 C ATOM 0 H ILE A 97 -8.089 -5.097 -3.054 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.536 -5.605 -0.237 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.571 -3.865 -0.657 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.443 -5.415 -3.248 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -6.097 -3.793 -3.137 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.978 -5.755 -0.705 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.308 -6.023 0.447 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.312 -6.855 -1.126 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.729 -3.737 -3.823 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.933 -2.967 -2.231 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.269 -4.614 -2.344 1.00 0.00 H new ATOM 1156 N THR A 98 -8.635 -3.396 0.185 1.00 0.00 N ATOM 1157 CA THR A 98 -9.091 -2.091 0.677 1.00 0.00 C ATOM 1158 C THR A 98 -7.849 -1.370 1.193 1.00 0.00 C ATOM 1159 O THR A 98 -6.940 -2.005 1.742 1.00 0.00 O ATOM 1160 CB THR A 98 -10.072 -2.280 1.844 1.00 0.00 C ATOM 1161 OG1 THR A 98 -11.090 -3.180 1.451 1.00 0.00 O ATOM 1162 CG2 THR A 98 -10.790 -1.011 2.278 1.00 0.00 C ATOM 0 H THR A 98 -8.854 -4.153 0.832 1.00 0.00 H new ATOM 0 HA THR A 98 -9.594 -1.532 -0.112 1.00 0.00 H new ATOM 0 HB THR A 98 -9.461 -2.634 2.674 1.00 0.00 H new ATOM 0 HG1 THR A 98 -11.917 -2.683 1.277 1.00 0.00 H new ATOM 0 HG21 THR A 98 -11.462 -1.238 3.106 1.00 0.00 H new ATOM 0 HG22 THR A 98 -10.058 -0.270 2.598 1.00 0.00 H new ATOM 0 HG23 THR A 98 -11.366 -0.615 1.442 1.00 0.00 H new ATOM 1170 N VAL A 99 -7.779 -0.054 1.018 1.00 0.00 N ATOM 1171 CA VAL A 99 -6.611 0.717 1.454 1.00 0.00 C ATOM 1172 C VAL A 99 -7.028 2.032 2.087 1.00 0.00 C ATOM 1173 O VAL A 99 -7.951 2.714 1.636 1.00 0.00 O ATOM 1174 CB VAL A 99 -5.566 0.929 0.351 1.00 0.00 C ATOM 1175 CG1 VAL A 99 -5.197 -0.370 -0.355 1.00 0.00 C ATOM 1176 CG2 VAL A 99 -6.051 1.931 -0.671 1.00 0.00 C ATOM 0 H VAL A 99 -8.513 0.503 0.579 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.117 0.111 2.213 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.674 1.314 0.845 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.454 -0.167 -1.127 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.785 -1.073 0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.087 -0.801 -0.813 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.291 2.062 -1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.972 1.568 -1.128 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.241 2.887 -0.182 1.00 0.00 H new ATOM 1186 N GLU A 100 -6.334 2.380 3.153 1.00 0.00 N ATOM 1187 CA GLU A 100 -6.656 3.557 3.977 1.00 0.00 C ATOM 1188 C GLU A 100 -5.476 3.940 4.855 1.00 0.00 C ATOM 1189 O GLU A 100 -4.490 3.214 4.925 1.00 0.00 O ATOM 1190 CB GLU A 100 -7.893 3.266 4.857 1.00 0.00 C ATOM 1191 CG GLU A 100 -7.712 2.136 5.889 1.00 0.00 C ATOM 1192 CD GLU A 100 -8.435 0.837 5.499 1.00 0.00 C ATOM 1193 OE1 GLU A 100 -7.912 0.046 4.678 1.00 0.00 O ATOM 1194 OE2 GLU A 100 -9.520 0.548 6.057 1.00 0.00 O ATOM 0 H GLU A 100 -5.523 1.858 3.484 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.877 4.391 3.311 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.166 4.179 5.386 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.730 3.012 4.207 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.648 1.930 6.009 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.083 2.474 6.857 1.00 0.00 H new ATOM 1201 N ARG A 101 -5.561 5.077 5.539 1.00 0.00 N ATOM 1202 CA ARG A 101 -4.541 5.454 6.505 1.00 0.00 C ATOM 1203 C ARG A 101 -4.590 4.588 7.778 1.00 0.00 C ATOM 1204 O ARG A 101 -5.600 4.502 8.479 1.00 0.00 O ATOM 1205 CB ARG A 101 -4.627 6.949 6.789 1.00 0.00 C ATOM 1206 CG ARG A 101 -5.874 7.379 7.576 1.00 0.00 C ATOM 1207 CD ARG A 101 -6.270 8.797 7.162 1.00 0.00 C ATOM 1208 NE ARG A 101 -7.283 9.371 8.065 1.00 0.00 N ATOM 1209 CZ ARG A 101 -7.565 10.653 8.223 1.00 0.00 C ATOM 1210 NH1 ARG A 101 -6.884 11.594 7.632 1.00 0.00 N ATOM 1211 NH2 ARG A 101 -8.553 11.017 8.985 1.00 0.00 N ATOM 0 H ARG A 101 -6.322 5.749 5.441 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.560 5.256 6.072 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -3.740 7.252 7.345 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -4.608 7.487 5.841 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -6.695 6.689 7.383 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -5.672 7.343 8.647 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -5.386 9.434 7.157 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -6.658 8.783 6.144 1.00 0.00 H new ATOM 0 HE ARG A 101 -7.822 8.711 8.626 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -6.103 11.352 7.023 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -7.132 12.572 7.779 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -9.114 10.313 9.464 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -8.767 12.007 9.104 1.00 0.00 H new ATOM 1225 N ASP A 102 -3.460 3.964 8.058 1.00 0.00 N ATOM 1226 CA ASP A 102 -3.110 3.303 9.324 1.00 0.00 C ATOM 1227 C ASP A 102 -2.643 4.396 10.313 1.00 0.00 C ATOM 1228 O ASP A 102 -2.913 4.324 11.514 1.00 0.00 O ATOM 1229 CB ASP A 102 -1.992 2.284 9.031 1.00 0.00 C ATOM 1230 CG ASP A 102 -1.905 1.116 10.023 1.00 0.00 C ATOM 1231 OD1 ASP A 102 -2.716 0.162 9.911 1.00 0.00 O ATOM 1232 OD2 ASP A 102 -0.951 1.048 10.821 1.00 0.00 O ATOM 0 H ASP A 102 -2.709 3.895 7.372 1.00 0.00 H new ATOM 0 HA ASP A 102 -3.955 2.773 9.764 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -2.142 1.881 8.030 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -1.036 2.808 9.024 1.00 0.00 H new ATOM 1237 N ASP A 103 -2.008 5.450 9.773 1.00 0.00 N ATOM 1238 CA ASP A 103 -1.666 6.742 10.377 1.00 0.00 C ATOM 1239 C ASP A 103 -1.425 7.808 9.275 1.00 0.00 C ATOM 1240 O ASP A 103 -1.136 7.473 8.128 1.00 0.00 O ATOM 1241 CB ASP A 103 -0.419 6.588 11.265 1.00 0.00 C ATOM 1242 CG ASP A 103 -0.172 7.803 12.179 1.00 0.00 C ATOM 1243 OD1 ASP A 103 -1.112 8.586 12.456 1.00 0.00 O ATOM 1244 OD2 ASP A 103 0.988 8.000 12.602 1.00 0.00 O ATOM 0 H ASP A 103 -1.691 5.411 8.804 1.00 0.00 H new ATOM 0 HA ASP A 103 -2.499 7.076 10.996 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -0.527 5.695 11.880 1.00 0.00 H new ATOM 0 HB3 ASP A 103 0.454 6.435 10.631 1.00 0.00 H new ATOM 1249 N ASN A 104 -1.528 9.096 9.610 1.00 0.00 N ATOM 1250 CA ASN A 104 -1.531 10.253 8.700 1.00 0.00 C ATOM 1251 C ASN A 104 -0.508 11.344 9.117 1.00 0.00 C ATOM 1252 O ASN A 104 -0.922 12.466 9.489 1.00 0.00 O ATOM 1253 CB ASN A 104 -3.009 10.720 8.647 1.00 0.00 C ATOM 1254 CG ASN A 104 -3.380 11.710 7.554 1.00 0.00 C ATOM 1255 OD1 ASN A 104 -4.129 11.418 6.633 1.00 0.00 O ATOM 1256 ND2 ASN A 104 -2.944 12.935 7.662 1.00 0.00 N ATOM 0 H ASN A 104 -1.617 9.381 10.585 1.00 0.00 H new ATOM 0 HA ASN A 104 -1.188 9.997 7.698 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.639 9.838 8.534 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -3.258 11.168 9.609 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -3.228 13.639 6.981 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -2.319 13.188 8.427 1.00 0.00 H new TER 1263 ASN A 104