USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 501 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: C 46 HIS : no HE2:sc= -16.7! C(o=-22!,f=-26!) USER MOD Set 1.2: C 53 THR OG1 : rot 150:sc= -5.18! USER MOD Set 2.1: C 20 THR OG1 : rot 180:sc= -0.149 USER MOD Set 2.2: C 22 THR OG1 : rot 86:sc= -0.0229 USER MOD Set 3.1: C 18 SER OG : rot 57:sc= -4.2! USER MOD Set 3.2: C 25 SER OG : rot -30:sc= -0.416! USER MOD Single : C 9 THR OG1 : rot 24:sc= 0.838 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 16 TYR OH : rot 22:sc= 0.172 USER MOD Single : C 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 33 GLN : amide:sc= -10.3! C(o=-10!,f=-13!) USER MOD Single : C 36 ASN : amide:sc= -1.28 X(o=-1.3,f=-0.86) USER MOD Single : C 37 ASN : amide:sc= -3.36! C(o=-3.4!,f=-8.7!) USER MOD Single : C 38 THR OG1 : rot 180:sc= 0 USER MOD Single : C 47 SER OG : rot 60:sc= -0.772! USER MOD Single : C 49 THR OG1 : rot 180:sc= -0.0601 USER MOD Single : C 50 THR OG1 : rot 180:sc= 0.117 USER MOD Single : C 52 GLN : amide:sc= -0.175 X(o=-0.17,f=0) USER MOD Single : C 55 TYR OH : rot 180:sc= 0 USER MOD Single : C 58 SER OG : rot -107:sc= 0.827 USER MOD Single : C 59 ASN : amide:sc= -7.33! C(o=-7.3!,f=-16!) USER MOD Single : C 60 TYR OH : rot 6:sc= -0.556 USER MOD Single : C 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 9 13.564 28.717 -8.905 1.00 0.00 N ATOM 2 CA THR C 9 14.035 28.896 -7.503 1.00 0.00 C ATOM 3 C THR C 9 13.174 28.047 -6.564 1.00 0.00 C ATOM 4 O THR C 9 11.997 28.293 -6.395 1.00 0.00 O ATOM 5 CB THR C 9 13.918 30.370 -7.109 1.00 0.00 C ATOM 6 OG1 THR C 9 13.853 31.168 -8.282 1.00 0.00 O ATOM 7 CG2 THR C 9 15.137 30.777 -6.279 1.00 0.00 C ATOM 0 HA THR C 9 15.076 28.582 -7.426 1.00 0.00 H new ATOM 0 HB THR C 9 13.014 30.518 -6.518 1.00 0.00 H new ATOM 0 HG1 THR C 9 13.526 30.625 -9.029 1.00 0.00 H new ATOM 0 HG21 THR C 9 15.052 31.827 -5.999 1.00 0.00 H new ATOM 0 HG22 THR C 9 15.185 30.164 -5.379 1.00 0.00 H new ATOM 0 HG23 THR C 9 16.043 30.630 -6.867 1.00 0.00 H new ATOM 15 N PHE C 10 13.753 27.049 -5.954 1.00 0.00 N ATOM 16 CA PHE C 10 12.965 26.187 -5.027 1.00 0.00 C ATOM 17 C PHE C 10 13.497 26.351 -3.600 1.00 0.00 C ATOM 18 O PHE C 10 14.668 26.603 -3.386 1.00 0.00 O ATOM 19 CB PHE C 10 13.087 24.726 -5.464 1.00 0.00 C ATOM 20 CG PHE C 10 12.018 24.425 -6.519 1.00 0.00 C ATOM 21 CD1 PHE C 10 11.848 25.267 -7.603 1.00 0.00 C ATOM 22 CD2 PHE C 10 11.201 23.317 -6.396 1.00 0.00 C ATOM 23 CE1 PHE C 10 10.874 25.006 -8.546 1.00 0.00 C ATOM 24 CE2 PHE C 10 10.227 23.056 -7.339 1.00 0.00 C ATOM 25 CZ PHE C 10 10.065 23.901 -8.413 1.00 0.00 C ATOM 0 H PHE C 10 14.735 26.793 -6.057 1.00 0.00 H new ATOM 0 HA PHE C 10 11.916 26.483 -5.054 1.00 0.00 H new ATOM 0 HB2 PHE C 10 14.080 24.538 -5.871 1.00 0.00 H new ATOM 0 HB3 PHE C 10 12.964 24.066 -4.606 1.00 0.00 H new ATOM 0 HD1 PHE C 10 12.482 26.135 -7.713 1.00 0.00 H new ATOM 0 HD2 PHE C 10 11.325 22.650 -5.556 1.00 0.00 H new ATOM 0 HE1 PHE C 10 10.747 25.670 -9.389 1.00 0.00 H new ATOM 0 HE2 PHE C 10 9.592 22.189 -7.234 1.00 0.00 H new ATOM 0 HZ PHE C 10 9.303 23.697 -9.151 1.00 0.00 H new ATOM 35 N VAL C 11 12.646 26.199 -2.620 1.00 0.00 N ATOM 36 CA VAL C 11 13.101 26.348 -1.208 1.00 0.00 C ATOM 37 C VAL C 11 13.075 24.988 -0.511 1.00 0.00 C ATOM 38 O VAL C 11 12.310 24.113 -0.861 1.00 0.00 O ATOM 39 CB VAL C 11 12.167 27.311 -0.471 1.00 0.00 C ATOM 40 CG1 VAL C 11 12.840 27.788 0.819 1.00 0.00 C ATOM 41 CG2 VAL C 11 11.866 28.516 -1.363 1.00 0.00 C ATOM 0 H VAL C 11 11.657 25.978 -2.737 1.00 0.00 H new ATOM 0 HA VAL C 11 14.118 26.741 -1.198 1.00 0.00 H new ATOM 0 HB VAL C 11 11.236 26.798 -0.228 1.00 0.00 H new ATOM 0 HG11 VAL C 11 12.175 28.474 1.344 1.00 0.00 H new ATOM 0 HG12 VAL C 11 13.054 26.930 1.457 1.00 0.00 H new ATOM 0 HG13 VAL C 11 13.771 28.300 0.576 1.00 0.00 H new ATOM 0 HG21 VAL C 11 11.201 29.201 -0.837 1.00 0.00 H new ATOM 0 HG22 VAL C 11 12.796 29.029 -1.607 1.00 0.00 H new ATOM 0 HG23 VAL C 11 11.386 28.178 -2.281 1.00 0.00 H new ATOM 51 N ALA C 12 13.906 24.804 0.478 1.00 0.00 N ATOM 52 CA ALA C 12 13.930 23.501 1.197 1.00 0.00 C ATOM 53 C ALA C 12 12.793 23.460 2.220 1.00 0.00 C ATOM 54 O ALA C 12 12.764 24.224 3.163 1.00 0.00 O ATOM 55 CB ALA C 12 15.270 23.339 1.916 1.00 0.00 C ATOM 0 H ALA C 12 14.569 25.500 0.819 1.00 0.00 H new ATOM 0 HA ALA C 12 13.802 22.690 0.481 1.00 0.00 H new ATOM 0 HB1 ALA C 12 15.287 22.385 2.443 1.00 0.00 H new ATOM 0 HB2 ALA C 12 16.080 23.366 1.187 1.00 0.00 H new ATOM 0 HB3 ALA C 12 15.399 24.151 2.632 1.00 0.00 H new ATOM 61 N LEU C 13 11.855 22.575 2.035 1.00 0.00 N ATOM 62 CA LEU C 13 10.717 22.476 2.990 1.00 0.00 C ATOM 63 C LEU C 13 11.109 21.564 4.152 1.00 0.00 C ATOM 64 O LEU C 13 10.747 21.802 5.288 1.00 0.00 O ATOM 65 CB LEU C 13 9.501 21.888 2.271 1.00 0.00 C ATOM 66 CG LEU C 13 8.781 22.992 1.494 1.00 0.00 C ATOM 67 CD1 LEU C 13 7.528 22.414 0.832 1.00 0.00 C ATOM 68 CD2 LEU C 13 8.379 24.114 2.453 1.00 0.00 C ATOM 0 H LEU C 13 11.827 21.913 1.260 1.00 0.00 H new ATOM 0 HA LEU C 13 10.472 23.468 3.371 1.00 0.00 H new ATOM 0 HB2 LEU C 13 9.816 21.097 1.591 1.00 0.00 H new ATOM 0 HB3 LEU C 13 8.822 21.436 2.994 1.00 0.00 H new ATOM 0 HG LEU C 13 9.447 23.391 0.729 1.00 0.00 H new ATOM 0 HD11 LEU C 13 7.014 23.199 0.278 1.00 0.00 H new ATOM 0 HD12 LEU C 13 7.814 21.615 0.148 1.00 0.00 H new ATOM 0 HD13 LEU C 13 6.863 22.015 1.598 1.00 0.00 H new ATOM 0 HD21 LEU C 13 7.866 24.900 1.899 1.00 0.00 H new ATOM 0 HD22 LEU C 13 7.713 23.717 3.219 1.00 0.00 H new ATOM 0 HD23 LEU C 13 9.271 24.526 2.925 1.00 0.00 H new ATOM 80 N TYR C 14 11.846 20.518 3.883 1.00 0.00 N ATOM 81 CA TYR C 14 12.252 19.599 4.983 1.00 0.00 C ATOM 82 C TYR C 14 13.764 19.377 4.953 1.00 0.00 C ATOM 83 O TYR C 14 14.377 19.341 3.903 1.00 0.00 O ATOM 84 CB TYR C 14 11.532 18.263 4.816 1.00 0.00 C ATOM 85 CG TYR C 14 10.048 18.472 5.104 1.00 0.00 C ATOM 86 CD1 TYR C 14 9.302 19.309 4.305 1.00 0.00 C ATOM 87 CD2 TYR C 14 9.444 17.851 6.173 1.00 0.00 C ATOM 88 CE1 TYR C 14 7.967 19.527 4.572 1.00 0.00 C ATOM 89 CE2 TYR C 14 8.108 18.064 6.444 1.00 0.00 C ATOM 90 CZ TYR C 14 7.357 18.905 5.644 1.00 0.00 C ATOM 91 OH TYR C 14 6.021 19.121 5.912 1.00 0.00 O ATOM 0 H TYR C 14 12.182 20.263 2.954 1.00 0.00 H new ATOM 0 HA TYR C 14 11.981 20.044 5.940 1.00 0.00 H new ATOM 0 HB2 TYR C 14 11.671 17.882 3.804 1.00 0.00 H new ATOM 0 HB3 TYR C 14 11.949 17.521 5.497 1.00 0.00 H new ATOM 0 HD1 TYR C 14 9.766 19.799 3.462 1.00 0.00 H new ATOM 0 HD2 TYR C 14 10.020 17.192 6.805 1.00 0.00 H new ATOM 0 HE1 TYR C 14 7.394 20.188 3.939 1.00 0.00 H new ATOM 0 HE2 TYR C 14 7.646 17.571 7.286 1.00 0.00 H new ATOM 0 HH TYR C 14 5.758 18.603 6.701 1.00 0.00 H new ATOM 101 N ASP C 15 14.372 19.227 6.099 1.00 0.00 N ATOM 102 CA ASP C 15 15.841 19.006 6.142 1.00 0.00 C ATOM 103 C ASP C 15 16.171 17.688 5.441 1.00 0.00 C ATOM 104 O ASP C 15 16.076 16.623 6.018 1.00 0.00 O ATOM 105 CB ASP C 15 16.295 18.941 7.600 1.00 0.00 C ATOM 106 CG ASP C 15 15.399 17.969 8.371 1.00 0.00 C ATOM 107 OD1 ASP C 15 14.330 18.383 8.787 1.00 0.00 O ATOM 108 OD2 ASP C 15 15.800 16.828 8.533 1.00 0.00 O ATOM 0 H ASP C 15 13.911 19.249 7.008 1.00 0.00 H new ATOM 0 HA ASP C 15 16.355 19.824 5.637 1.00 0.00 H new ATOM 0 HB2 ASP C 15 17.334 18.616 7.654 1.00 0.00 H new ATOM 0 HB3 ASP C 15 16.247 19.932 8.051 1.00 0.00 H new ATOM 113 N TYR C 16 16.558 17.752 4.197 1.00 0.00 N ATOM 114 CA TYR C 16 16.893 16.506 3.454 1.00 0.00 C ATOM 115 C TYR C 16 18.200 15.914 3.979 1.00 0.00 C ATOM 116 O TYR C 16 19.271 16.440 3.745 1.00 0.00 O ATOM 117 CB TYR C 16 17.044 16.830 1.970 1.00 0.00 C ATOM 118 CG TYR C 16 17.495 15.579 1.217 1.00 0.00 C ATOM 119 CD1 TYR C 16 16.638 14.510 1.069 1.00 0.00 C ATOM 120 CD2 TYR C 16 18.757 15.506 0.663 1.00 0.00 C ATOM 121 CE1 TYR C 16 17.033 13.386 0.375 1.00 0.00 C ATOM 122 CE2 TYR C 16 19.152 14.381 -0.031 1.00 0.00 C ATOM 123 CZ TYR C 16 18.294 13.312 -0.180 1.00 0.00 C ATOM 124 OH TYR C 16 18.689 12.186 -0.875 1.00 0.00 O ATOM 0 H TYR C 16 16.657 18.615 3.663 1.00 0.00 H new ATOM 0 HA TYR C 16 16.093 15.780 3.596 1.00 0.00 H new ATOM 0 HB2 TYR C 16 16.097 17.188 1.567 1.00 0.00 H new ATOM 0 HB3 TYR C 16 17.771 17.631 1.834 1.00 0.00 H new ATOM 0 HD1 TYR C 16 15.649 14.553 1.500 1.00 0.00 H new ATOM 0 HD2 TYR C 16 19.440 16.335 0.774 1.00 0.00 H new ATOM 0 HE1 TYR C 16 16.350 12.557 0.265 1.00 0.00 H new ATOM 0 HE2 TYR C 16 20.142 14.337 -0.461 1.00 0.00 H new ATOM 0 HH TYR C 16 17.897 11.699 -1.186 1.00 0.00 H new ATOM 134 N GLU C 17 18.119 14.823 4.689 1.00 0.00 N ATOM 135 CA GLU C 17 19.353 14.192 5.232 1.00 0.00 C ATOM 136 C GLU C 17 19.797 13.078 4.283 1.00 0.00 C ATOM 137 O GLU C 17 19.515 11.917 4.502 1.00 0.00 O ATOM 138 CB GLU C 17 19.064 13.603 6.615 1.00 0.00 C ATOM 139 CG GLU C 17 19.723 14.472 7.687 1.00 0.00 C ATOM 140 CD GLU C 17 21.202 14.099 7.809 1.00 0.00 C ATOM 141 OE1 GLU C 17 21.481 13.001 8.262 1.00 0.00 O ATOM 142 OE2 GLU C 17 22.031 14.917 7.446 1.00 0.00 O ATOM 0 H GLU C 17 17.249 14.341 4.917 1.00 0.00 H new ATOM 0 HA GLU C 17 20.142 14.939 5.321 1.00 0.00 H new ATOM 0 HB2 GLU C 17 17.988 13.553 6.783 1.00 0.00 H new ATOM 0 HB3 GLU C 17 19.444 12.583 6.674 1.00 0.00 H new ATOM 0 HG2 GLU C 17 19.623 15.526 7.428 1.00 0.00 H new ATOM 0 HG3 GLU C 17 19.221 14.330 8.644 1.00 0.00 H new ATOM 149 N SER C 18 20.483 13.427 3.226 1.00 0.00 N ATOM 150 CA SER C 18 20.951 12.396 2.256 1.00 0.00 C ATOM 151 C SER C 18 21.434 11.155 3.010 1.00 0.00 C ATOM 152 O SER C 18 22.537 11.113 3.514 1.00 0.00 O ATOM 153 CB SER C 18 22.102 12.966 1.424 1.00 0.00 C ATOM 154 OG SER C 18 22.515 14.208 1.975 1.00 0.00 O ATOM 0 H SER C 18 20.740 14.386 2.993 1.00 0.00 H new ATOM 0 HA SER C 18 20.126 12.119 1.600 1.00 0.00 H new ATOM 0 HB2 SER C 18 22.937 12.266 1.412 1.00 0.00 H new ATOM 0 HB3 SER C 18 21.785 13.102 0.390 1.00 0.00 H new ATOM 0 HG SER C 18 22.775 14.080 2.911 1.00 0.00 H new ATOM 160 N ARG C 19 20.612 10.144 3.087 1.00 0.00 N ATOM 161 CA ARG C 19 21.018 8.904 3.807 1.00 0.00 C ATOM 162 C ARG C 19 21.843 8.017 2.871 1.00 0.00 C ATOM 163 O ARG C 19 22.138 6.879 3.178 1.00 0.00 O ATOM 164 CB ARG C 19 19.767 8.146 4.257 1.00 0.00 C ATOM 165 CG ARG C 19 19.268 8.727 5.581 1.00 0.00 C ATOM 166 CD ARG C 19 19.744 7.844 6.736 1.00 0.00 C ATOM 167 NE ARG C 19 18.773 6.732 6.942 1.00 0.00 N ATOM 168 CZ ARG C 19 18.770 6.063 8.065 1.00 0.00 C ATOM 169 NH1 ARG C 19 19.617 6.364 9.012 1.00 0.00 N ATOM 170 NH2 ARG C 19 17.919 5.089 8.239 1.00 0.00 N ATOM 0 H ARG C 19 19.676 10.123 2.682 1.00 0.00 H new ATOM 0 HA ARG C 19 21.618 9.168 4.678 1.00 0.00 H new ATOM 0 HB2 ARG C 19 18.989 8.223 3.497 1.00 0.00 H new ATOM 0 HB3 ARG C 19 19.993 7.086 4.375 1.00 0.00 H new ATOM 0 HG2 ARG C 19 19.641 9.743 5.708 1.00 0.00 H new ATOM 0 HG3 ARG C 19 18.180 8.785 5.578 1.00 0.00 H new ATOM 0 HD2 ARG C 19 20.733 7.442 6.517 1.00 0.00 H new ATOM 0 HD3 ARG C 19 19.835 8.436 7.647 1.00 0.00 H new ATOM 0 HE ARG C 19 18.110 6.493 6.205 1.00 0.00 H new ATOM 0 HH11 ARG C 19 20.284 7.124 8.877 1.00 0.00 H new ATOM 0 HH12 ARG C 19 19.611 5.840 9.887 1.00 0.00 H new ATOM 0 HH21 ARG C 19 17.258 4.851 7.499 1.00 0.00 H new ATOM 0 HH22 ARG C 19 17.915 4.566 9.114 1.00 0.00 H new ATOM 184 N THR C 20 22.219 8.530 1.731 1.00 0.00 N ATOM 185 CA THR C 20 23.024 7.718 0.776 1.00 0.00 C ATOM 186 C THR C 20 24.351 8.427 0.495 1.00 0.00 C ATOM 187 O THR C 20 24.487 9.615 0.709 1.00 0.00 O ATOM 188 CB THR C 20 22.248 7.552 -0.532 1.00 0.00 C ATOM 189 OG1 THR C 20 23.154 7.240 -1.582 1.00 0.00 O ATOM 190 CG2 THR C 20 21.511 8.851 -0.860 1.00 0.00 C ATOM 0 H THR C 20 22.003 9.477 1.420 1.00 0.00 H new ATOM 0 HA THR C 20 23.221 6.737 1.209 1.00 0.00 H new ATOM 0 HB THR C 20 21.524 6.745 -0.425 1.00 0.00 H new ATOM 0 HG1 THR C 20 22.658 7.132 -2.420 1.00 0.00 H new ATOM 0 HG21 THR C 20 20.959 8.731 -1.792 1.00 0.00 H new ATOM 0 HG22 THR C 20 20.816 9.088 -0.055 1.00 0.00 H new ATOM 0 HG23 THR C 20 22.232 9.661 -0.967 1.00 0.00 H new ATOM 198 N GLU C 21 25.329 7.708 0.017 1.00 0.00 N ATOM 199 CA GLU C 21 26.643 8.336 -0.278 1.00 0.00 C ATOM 200 C GLU C 21 26.617 8.946 -1.681 1.00 0.00 C ATOM 201 O GLU C 21 27.551 8.809 -2.445 1.00 0.00 O ATOM 202 CB GLU C 21 27.732 7.266 -0.207 1.00 0.00 C ATOM 203 CG GLU C 21 27.288 6.036 -1.001 1.00 0.00 C ATOM 204 CD GLU C 21 27.055 4.867 -0.044 1.00 0.00 C ATOM 205 OE1 GLU C 21 28.032 4.334 0.458 1.00 0.00 O ATOM 206 OE2 GLU C 21 25.905 4.523 0.172 1.00 0.00 O ATOM 0 H GLU C 21 25.272 6.709 -0.182 1.00 0.00 H new ATOM 0 HA GLU C 21 26.848 9.121 0.450 1.00 0.00 H new ATOM 0 HB2 GLU C 21 28.667 7.655 -0.611 1.00 0.00 H new ATOM 0 HB3 GLU C 21 27.922 6.993 0.831 1.00 0.00 H new ATOM 0 HG2 GLU C 21 26.374 6.256 -1.552 1.00 0.00 H new ATOM 0 HG3 GLU C 21 28.047 5.771 -1.737 1.00 0.00 H new ATOM 213 N THR C 22 25.553 9.620 -2.028 1.00 0.00 N ATOM 214 CA THR C 22 25.472 10.237 -3.382 1.00 0.00 C ATOM 215 C THR C 22 24.738 11.576 -3.286 1.00 0.00 C ATOM 216 O THR C 22 25.334 12.629 -3.403 1.00 0.00 O ATOM 217 CB THR C 22 24.711 9.300 -4.324 1.00 0.00 C ATOM 218 OG1 THR C 22 25.121 7.961 -4.090 1.00 0.00 O ATOM 219 CG2 THR C 22 25.010 9.678 -5.776 1.00 0.00 C ATOM 0 H THR C 22 24.738 9.769 -1.433 1.00 0.00 H new ATOM 0 HA THR C 22 26.477 10.401 -3.770 1.00 0.00 H new ATOM 0 HB THR C 22 23.641 9.392 -4.140 1.00 0.00 H new ATOM 0 HG1 THR C 22 24.588 7.578 -3.363 1.00 0.00 H new ATOM 0 HG21 THR C 22 24.468 9.010 -6.445 1.00 0.00 H new ATOM 0 HG22 THR C 22 24.696 10.706 -5.956 1.00 0.00 H new ATOM 0 HG23 THR C 22 26.080 9.588 -5.963 1.00 0.00 H new ATOM 227 N ASP C 23 23.451 11.547 -3.072 1.00 0.00 N ATOM 228 CA ASP C 23 22.687 12.822 -2.969 1.00 0.00 C ATOM 229 C ASP C 23 23.226 13.640 -1.795 1.00 0.00 C ATOM 230 O ASP C 23 23.621 13.100 -0.781 1.00 0.00 O ATOM 231 CB ASP C 23 21.206 12.512 -2.739 1.00 0.00 C ATOM 232 CG ASP C 23 20.732 11.489 -3.774 1.00 0.00 C ATOM 233 OD1 ASP C 23 21.566 10.990 -4.511 1.00 0.00 O ATOM 234 OD2 ASP C 23 19.542 11.223 -3.810 1.00 0.00 O ATOM 0 H ASP C 23 22.897 10.698 -2.964 1.00 0.00 H new ATOM 0 HA ASP C 23 22.798 13.391 -3.892 1.00 0.00 H new ATOM 0 HB2 ASP C 23 21.057 12.122 -1.732 1.00 0.00 H new ATOM 0 HB3 ASP C 23 20.616 13.425 -2.818 1.00 0.00 H new ATOM 239 N LEU C 24 23.246 14.937 -1.921 1.00 0.00 N ATOM 240 CA LEU C 24 23.760 15.782 -0.808 1.00 0.00 C ATOM 241 C LEU C 24 22.620 16.108 0.158 1.00 0.00 C ATOM 242 O LEU C 24 21.460 15.931 -0.153 1.00 0.00 O ATOM 243 CB LEU C 24 24.341 17.076 -1.374 1.00 0.00 C ATOM 244 CG LEU C 24 25.785 16.830 -1.815 1.00 0.00 C ATOM 245 CD1 LEU C 24 25.798 15.856 -2.996 1.00 0.00 C ATOM 246 CD2 LEU C 24 26.420 18.154 -2.238 1.00 0.00 C ATOM 0 H LEU C 24 22.929 15.448 -2.745 1.00 0.00 H new ATOM 0 HA LEU C 24 24.540 15.240 -0.273 1.00 0.00 H new ATOM 0 HB2 LEU C 24 23.743 17.418 -2.219 1.00 0.00 H new ATOM 0 HB3 LEU C 24 24.307 17.863 -0.621 1.00 0.00 H new ATOM 0 HG LEU C 24 26.351 16.404 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU C 24 26.826 15.680 -3.311 1.00 0.00 H new ATOM 0 HD12 LEU C 24 25.344 14.912 -2.694 1.00 0.00 H new ATOM 0 HD13 LEU C 24 25.232 16.282 -3.825 1.00 0.00 H new ATOM 0 HD21 LEU C 24 27.449 17.980 -2.552 1.00 0.00 H new ATOM 0 HD22 LEU C 24 25.855 18.580 -3.067 1.00 0.00 H new ATOM 0 HD23 LEU C 24 26.410 18.847 -1.397 1.00 0.00 H new ATOM 258 N SER C 25 22.943 16.589 1.326 1.00 0.00 N ATOM 259 CA SER C 25 21.880 16.926 2.314 1.00 0.00 C ATOM 260 C SER C 25 21.695 18.442 2.389 1.00 0.00 C ATOM 261 O SER C 25 22.650 19.193 2.410 1.00 0.00 O ATOM 262 CB SER C 25 22.291 16.401 3.688 1.00 0.00 C ATOM 263 OG SER C 25 23.556 15.762 3.592 1.00 0.00 O ATOM 0 H SER C 25 23.898 16.764 1.640 1.00 0.00 H new ATOM 0 HA SER C 25 20.942 16.467 2.003 1.00 0.00 H new ATOM 0 HB2 SER C 25 22.340 17.222 4.403 1.00 0.00 H new ATOM 0 HB3 SER C 25 21.544 15.699 4.059 1.00 0.00 H new ATOM 0 HG SER C 25 23.660 15.376 2.697 1.00 0.00 H new ATOM 269 N PHE C 26 20.473 18.899 2.430 1.00 0.00 N ATOM 270 CA PHE C 26 20.230 20.366 2.506 1.00 0.00 C ATOM 271 C PHE C 26 19.210 20.650 3.611 1.00 0.00 C ATOM 272 O PHE C 26 18.084 20.197 3.566 1.00 0.00 O ATOM 273 CB PHE C 26 19.707 20.886 1.163 1.00 0.00 C ATOM 274 CG PHE C 26 18.452 20.119 0.745 1.00 0.00 C ATOM 275 CD1 PHE C 26 17.205 20.536 1.172 1.00 0.00 C ATOM 276 CD2 PHE C 26 18.543 19.020 -0.093 1.00 0.00 C ATOM 277 CE1 PHE C 26 16.067 19.867 0.767 1.00 0.00 C ATOM 278 CE2 PHE C 26 17.403 18.353 -0.498 1.00 0.00 C ATOM 279 CZ PHE C 26 16.166 18.778 -0.068 1.00 0.00 C ATOM 0 H PHE C 26 19.634 18.320 2.414 1.00 0.00 H new ATOM 0 HA PHE C 26 21.166 20.876 2.734 1.00 0.00 H new ATOM 0 HB2 PHE C 26 19.482 21.950 1.241 1.00 0.00 H new ATOM 0 HB3 PHE C 26 20.477 20.779 0.400 1.00 0.00 H new ATOM 0 HD1 PHE C 26 17.120 21.391 1.827 1.00 0.00 H new ATOM 0 HD2 PHE C 26 19.511 18.682 -0.432 1.00 0.00 H new ATOM 0 HE1 PHE C 26 15.097 20.199 1.106 1.00 0.00 H new ATOM 0 HE2 PHE C 26 17.482 17.498 -1.152 1.00 0.00 H new ATOM 0 HZ PHE C 26 15.275 18.257 -0.386 1.00 0.00 H new ATOM 289 N LYS C 27 19.601 21.401 4.605 1.00 0.00 N ATOM 290 CA LYS C 27 18.666 21.722 5.721 1.00 0.00 C ATOM 291 C LYS C 27 17.552 22.644 5.220 1.00 0.00 C ATOM 292 O LYS C 27 17.565 23.099 4.094 1.00 0.00 O ATOM 293 CB LYS C 27 19.438 22.423 6.842 1.00 0.00 C ATOM 294 CG LYS C 27 19.921 21.386 7.857 1.00 0.00 C ATOM 295 CD LYS C 27 21.445 21.271 7.784 1.00 0.00 C ATOM 296 CE LYS C 27 22.027 21.286 9.198 1.00 0.00 C ATOM 297 NZ LYS C 27 23.500 21.502 9.127 1.00 0.00 N ATOM 0 H LYS C 27 20.532 21.808 4.692 1.00 0.00 H new ATOM 0 HA LYS C 27 18.225 20.799 6.097 1.00 0.00 H new ATOM 0 HB2 LYS C 27 20.288 22.965 6.428 1.00 0.00 H new ATOM 0 HB3 LYS C 27 18.800 23.158 7.333 1.00 0.00 H new ATOM 0 HG2 LYS C 27 19.615 21.676 8.862 1.00 0.00 H new ATOM 0 HG3 LYS C 27 19.462 20.419 7.651 1.00 0.00 H new ATOM 0 HD2 LYS C 27 21.727 20.350 7.273 1.00 0.00 H new ATOM 0 HD3 LYS C 27 21.855 22.096 7.202 1.00 0.00 H new ATOM 0 HE2 LYS C 27 21.561 22.076 9.786 1.00 0.00 H new ATOM 0 HE3 LYS C 27 21.811 20.344 9.702 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 23.896 21.512 10.089 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 23.938 20.733 8.580 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 23.695 22.412 8.662 1.00 0.00 H new ATOM 311 N LYS C 28 16.586 22.921 6.054 1.00 0.00 N ATOM 312 CA LYS C 28 15.467 23.813 5.635 1.00 0.00 C ATOM 313 C LYS C 28 15.915 25.273 5.742 1.00 0.00 C ATOM 314 O LYS C 28 16.755 25.615 6.549 1.00 0.00 O ATOM 315 CB LYS C 28 14.263 23.582 6.550 1.00 0.00 C ATOM 316 CG LYS C 28 13.058 24.357 6.012 1.00 0.00 C ATOM 317 CD LYS C 28 12.636 25.420 7.029 1.00 0.00 C ATOM 318 CE LYS C 28 12.070 24.737 8.275 1.00 0.00 C ATOM 319 NZ LYS C 28 11.241 25.710 9.043 1.00 0.00 N ATOM 0 H LYS C 28 16.524 22.567 7.009 1.00 0.00 H new ATOM 0 HA LYS C 28 15.189 23.591 4.605 1.00 0.00 H new ATOM 0 HB2 LYS C 28 14.031 22.518 6.602 1.00 0.00 H new ATOM 0 HB3 LYS C 28 14.495 23.908 7.564 1.00 0.00 H new ATOM 0 HG2 LYS C 28 13.310 24.828 5.062 1.00 0.00 H new ATOM 0 HG3 LYS C 28 12.230 23.674 5.819 1.00 0.00 H new ATOM 0 HD2 LYS C 28 13.491 26.041 7.298 1.00 0.00 H new ATOM 0 HD3 LYS C 28 11.887 26.080 6.591 1.00 0.00 H new ATOM 0 HE2 LYS C 28 11.466 23.876 7.988 1.00 0.00 H new ATOM 0 HE3 LYS C 28 12.882 24.363 8.899 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 10.856 25.245 9.890 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 11.830 26.518 9.329 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 10.458 26.046 8.447 1.00 0.00 H new ATOM 333 N GLY C 29 15.364 26.135 4.933 1.00 0.00 N ATOM 334 CA GLY C 29 15.761 27.569 4.990 1.00 0.00 C ATOM 335 C GLY C 29 16.640 27.904 3.785 1.00 0.00 C ATOM 336 O GLY C 29 16.528 28.960 3.197 1.00 0.00 O ATOM 0 H GLY C 29 14.656 25.908 4.235 1.00 0.00 H new ATOM 0 HA2 GLY C 29 14.874 28.203 4.994 1.00 0.00 H new ATOM 0 HA3 GLY C 29 16.301 27.771 5.915 1.00 0.00 H new ATOM 340 N GLU C 30 17.515 27.010 3.411 1.00 0.00 N ATOM 341 CA GLU C 30 18.400 27.276 2.243 1.00 0.00 C ATOM 342 C GLU C 30 17.571 27.232 0.957 1.00 0.00 C ATOM 343 O GLU C 30 16.436 26.798 0.953 1.00 0.00 O ATOM 344 CB GLU C 30 19.499 26.214 2.180 1.00 0.00 C ATOM 345 CG GLU C 30 20.508 26.588 1.092 1.00 0.00 C ATOM 346 CD GLU C 30 21.875 25.994 1.438 1.00 0.00 C ATOM 347 OE1 GLU C 30 22.505 26.501 2.350 1.00 0.00 O ATOM 348 OE2 GLU C 30 22.266 25.041 0.784 1.00 0.00 O ATOM 0 H GLU C 30 17.655 26.107 3.864 1.00 0.00 H new ATOM 0 HA GLU C 30 18.856 28.261 2.349 1.00 0.00 H new ATOM 0 HB2 GLU C 30 20.000 26.136 3.145 1.00 0.00 H new ATOM 0 HB3 GLU C 30 19.064 25.237 1.967 1.00 0.00 H new ATOM 0 HG2 GLU C 30 20.171 26.214 0.125 1.00 0.00 H new ATOM 0 HG3 GLU C 30 20.582 27.672 1.007 1.00 0.00 H new ATOM 355 N ARG C 31 18.130 27.677 -0.136 1.00 0.00 N ATOM 356 CA ARG C 31 17.371 27.659 -1.417 1.00 0.00 C ATOM 357 C ARG C 31 18.192 26.947 -2.495 1.00 0.00 C ATOM 358 O ARG C 31 19.305 27.328 -2.795 1.00 0.00 O ATOM 359 CB ARG C 31 17.088 29.096 -1.860 1.00 0.00 C ATOM 360 CG ARG C 31 16.279 29.814 -0.776 1.00 0.00 C ATOM 361 CD ARG C 31 16.999 31.100 -0.370 1.00 0.00 C ATOM 362 NE ARG C 31 16.380 32.259 -1.072 1.00 0.00 N ATOM 363 CZ ARG C 31 16.656 33.480 -0.696 1.00 0.00 C ATOM 364 NH1 ARG C 31 17.478 33.690 0.298 1.00 0.00 N ATOM 365 NH2 ARG C 31 16.111 34.491 -1.315 1.00 0.00 N ATOM 0 H ARG C 31 19.077 28.051 -0.196 1.00 0.00 H new ATOM 0 HA ARG C 31 16.430 27.128 -1.271 1.00 0.00 H new ATOM 0 HB2 ARG C 31 18.025 29.624 -2.039 1.00 0.00 H new ATOM 0 HB3 ARG C 31 16.537 29.096 -2.800 1.00 0.00 H new ATOM 0 HG2 ARG C 31 15.280 30.045 -1.146 1.00 0.00 H new ATOM 0 HG3 ARG C 31 16.156 29.165 0.091 1.00 0.00 H new ATOM 0 HD2 ARG C 31 16.936 31.239 0.709 1.00 0.00 H new ATOM 0 HD3 ARG C 31 18.057 31.032 -0.622 1.00 0.00 H new ATOM 0 HE ARG C 31 15.739 32.099 -1.849 1.00 0.00 H new ATOM 0 HH11 ARG C 31 17.905 32.900 0.782 1.00 0.00 H new ATOM 0 HH12 ARG C 31 17.692 34.644 0.590 1.00 0.00 H new ATOM 0 HH21 ARG C 31 15.470 34.328 -2.092 1.00 0.00 H new ATOM 0 HH22 ARG C 31 16.326 35.444 -1.022 1.00 0.00 H new ATOM 379 N LEU C 32 17.645 25.916 -3.081 1.00 0.00 N ATOM 380 CA LEU C 32 18.385 25.173 -4.143 1.00 0.00 C ATOM 381 C LEU C 32 17.694 25.429 -5.479 1.00 0.00 C ATOM 382 O LEU C 32 16.495 25.615 -5.527 1.00 0.00 O ATOM 383 CB LEU C 32 18.353 23.674 -3.833 1.00 0.00 C ATOM 384 CG LEU C 32 19.470 23.332 -2.848 1.00 0.00 C ATOM 385 CD1 LEU C 32 18.942 23.446 -1.416 1.00 0.00 C ATOM 386 CD2 LEU C 32 19.953 21.902 -3.100 1.00 0.00 C ATOM 0 H LEU C 32 16.715 25.555 -2.870 1.00 0.00 H new ATOM 0 HA LEU C 32 19.421 25.508 -4.184 1.00 0.00 H new ATOM 0 HB2 LEU C 32 17.386 23.400 -3.412 1.00 0.00 H new ATOM 0 HB3 LEU C 32 18.475 23.099 -4.751 1.00 0.00 H new ATOM 0 HG LEU C 32 20.299 24.026 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU C 32 19.739 23.202 -0.714 1.00 0.00 H new ATOM 0 HD12 LEU C 32 18.598 24.464 -1.235 1.00 0.00 H new ATOM 0 HD13 LEU C 32 18.112 22.753 -1.278 1.00 0.00 H new ATOM 0 HD21 LEU C 32 20.750 21.658 -2.397 1.00 0.00 H new ATOM 0 HD22 LEU C 32 19.123 21.208 -2.963 1.00 0.00 H new ATOM 0 HD23 LEU C 32 20.330 21.820 -4.119 1.00 0.00 H new ATOM 398 N GLN C 33 18.414 25.446 -6.571 1.00 0.00 N ATOM 399 CA GLN C 33 17.717 25.699 -7.866 1.00 0.00 C ATOM 400 C GLN C 33 17.519 24.380 -8.614 1.00 0.00 C ATOM 401 O GLN C 33 18.402 23.888 -9.285 1.00 0.00 O ATOM 402 CB GLN C 33 18.524 26.691 -8.711 1.00 0.00 C ATOM 403 CG GLN C 33 18.461 28.110 -8.095 1.00 0.00 C ATOM 404 CD GLN C 33 17.987 28.064 -6.630 1.00 0.00 C ATOM 405 OE1 GLN C 33 16.802 28.071 -6.364 1.00 0.00 O ATOM 406 NE2 GLN C 33 18.868 28.017 -5.664 1.00 0.00 N ATOM 0 H GLN C 33 19.422 25.301 -6.624 1.00 0.00 H new ATOM 0 HA GLN C 33 16.737 26.135 -7.670 1.00 0.00 H new ATOM 0 HB2 GLN C 33 19.561 26.362 -8.775 1.00 0.00 H new ATOM 0 HB3 GLN C 33 18.133 26.713 -9.728 1.00 0.00 H new ATOM 0 HG2 GLN C 33 19.445 28.575 -8.146 1.00 0.00 H new ATOM 0 HG3 GLN C 33 17.783 28.733 -8.679 1.00 0.00 H new ATOM 0 HE21 GLN C 33 19.864 28.011 -5.882 1.00 0.00 H new ATOM 0 HE22 GLN C 33 18.559 27.986 -4.693 1.00 0.00 H new ATOM 415 N ILE C 34 16.346 23.813 -8.496 1.00 0.00 N ATOM 416 CA ILE C 34 16.042 22.523 -9.180 1.00 0.00 C ATOM 417 C ILE C 34 16.649 22.499 -10.582 1.00 0.00 C ATOM 418 O ILE C 34 17.042 23.514 -11.125 1.00 0.00 O ATOM 419 CB ILE C 34 14.525 22.353 -9.287 1.00 0.00 C ATOM 420 CG1 ILE C 34 13.897 22.464 -7.898 1.00 0.00 C ATOM 421 CG2 ILE C 34 14.208 20.978 -9.879 1.00 0.00 C ATOM 422 CD1 ILE C 34 14.613 21.513 -6.937 1.00 0.00 C ATOM 0 H ILE C 34 15.576 24.196 -7.947 1.00 0.00 H new ATOM 0 HA ILE C 34 16.472 21.709 -8.597 1.00 0.00 H new ATOM 0 HB ILE C 34 14.118 23.132 -9.932 1.00 0.00 H new ATOM 0 HG12 ILE C 34 13.971 23.489 -7.535 1.00 0.00 H new ATOM 0 HG13 ILE C 34 12.836 22.219 -7.946 1.00 0.00 H new ATOM 0 HG21 ILE C 34 13.128 20.855 -9.956 1.00 0.00 H new ATOM 0 HG22 ILE C 34 14.654 20.897 -10.870 1.00 0.00 H new ATOM 0 HG23 ILE C 34 14.616 20.201 -9.233 1.00 0.00 H new ATOM 0 HD11 ILE C 34 14.165 21.592 -5.946 1.00 0.00 H new ATOM 0 HD12 ILE C 34 14.516 20.489 -7.299 1.00 0.00 H new ATOM 0 HD13 ILE C 34 15.668 21.779 -6.881 1.00 0.00 H new ATOM 434 N VAL C 35 16.714 21.339 -11.174 1.00 0.00 N ATOM 435 CA VAL C 35 17.290 21.223 -12.540 1.00 0.00 C ATOM 436 C VAL C 35 16.221 20.688 -13.497 1.00 0.00 C ATOM 437 O VAL C 35 16.089 21.148 -14.613 1.00 0.00 O ATOM 438 CB VAL C 35 18.480 20.260 -12.506 1.00 0.00 C ATOM 439 CG1 VAL C 35 18.882 19.893 -13.935 1.00 0.00 C ATOM 440 CG2 VAL C 35 19.659 20.935 -11.801 1.00 0.00 C ATOM 0 H VAL C 35 16.390 20.462 -10.766 1.00 0.00 H new ATOM 0 HA VAL C 35 17.625 22.202 -12.883 1.00 0.00 H new ATOM 0 HB VAL C 35 18.201 19.356 -11.965 1.00 0.00 H new ATOM 0 HG11 VAL C 35 19.729 19.208 -13.910 1.00 0.00 H new ATOM 0 HG12 VAL C 35 18.042 19.414 -14.438 1.00 0.00 H new ATOM 0 HG13 VAL C 35 19.162 20.796 -14.478 1.00 0.00 H new ATOM 0 HG21 VAL C 35 20.508 20.251 -11.776 1.00 0.00 H new ATOM 0 HG22 VAL C 35 19.938 21.839 -12.342 1.00 0.00 H new ATOM 0 HG23 VAL C 35 19.373 21.196 -10.782 1.00 0.00 H new ATOM 450 N ASN C 36 15.455 19.724 -13.065 1.00 0.00 N ATOM 451 CA ASN C 36 14.394 19.158 -13.947 1.00 0.00 C ATOM 452 C ASN C 36 13.710 17.980 -13.244 1.00 0.00 C ATOM 453 O ASN C 36 13.639 17.926 -12.034 1.00 0.00 O ATOM 454 CB ASN C 36 15.022 18.669 -15.253 1.00 0.00 C ATOM 455 CG ASN C 36 14.016 18.832 -16.394 1.00 0.00 C ATOM 456 OD1 ASN C 36 13.528 19.918 -16.640 1.00 0.00 O ATOM 457 ND2 ASN C 36 13.679 17.790 -17.103 1.00 0.00 N ATOM 0 H ASN C 36 15.518 19.303 -12.138 1.00 0.00 H new ATOM 0 HA ASN C 36 13.656 19.931 -14.161 1.00 0.00 H new ATOM 0 HB2 ASN C 36 15.928 19.236 -15.468 1.00 0.00 H new ATOM 0 HB3 ASN C 36 15.315 17.623 -15.159 1.00 0.00 H new ATOM 0 HD21 ASN C 36 13.006 17.887 -17.864 1.00 0.00 H new ATOM 0 HD22 ASN C 36 14.088 16.879 -16.897 1.00 0.00 H new ATOM 464 N ASN C 37 13.205 17.041 -14.000 1.00 0.00 N ATOM 465 CA ASN C 37 12.525 15.863 -13.384 1.00 0.00 C ATOM 466 C ASN C 37 11.160 16.280 -12.831 1.00 0.00 C ATOM 467 O ASN C 37 10.653 15.696 -11.895 1.00 0.00 O ATOM 468 CB ASN C 37 13.392 15.309 -12.250 1.00 0.00 C ATOM 469 CG ASN C 37 14.846 15.217 -12.720 1.00 0.00 C ATOM 470 OD1 ASN C 37 15.171 15.633 -13.814 1.00 0.00 O ATOM 471 ND2 ASN C 37 15.741 14.684 -11.934 1.00 0.00 N ATOM 0 H ASN C 37 13.234 17.039 -15.020 1.00 0.00 H new ATOM 0 HA ASN C 37 12.382 15.093 -14.142 1.00 0.00 H new ATOM 0 HB2 ASN C 37 13.321 15.955 -11.375 1.00 0.00 H new ATOM 0 HB3 ASN C 37 13.032 14.325 -11.950 1.00 0.00 H new ATOM 0 HD21 ASN C 37 16.712 14.617 -12.239 1.00 0.00 H new ATOM 0 HD22 ASN C 37 15.469 14.334 -11.015 1.00 0.00 H new ATOM 478 N THR C 38 10.551 17.279 -13.410 1.00 0.00 N ATOM 479 CA THR C 38 9.217 17.727 -12.912 1.00 0.00 C ATOM 480 C THR C 38 8.232 16.555 -12.953 1.00 0.00 C ATOM 481 O THR C 38 7.184 16.593 -12.338 1.00 0.00 O ATOM 482 CB THR C 38 8.694 18.863 -13.795 1.00 0.00 C ATOM 483 OG1 THR C 38 7.570 19.466 -13.170 1.00 0.00 O ATOM 484 CG2 THR C 38 8.283 18.305 -15.159 1.00 0.00 C ATOM 0 H THR C 38 10.917 17.804 -14.204 1.00 0.00 H new ATOM 0 HA THR C 38 9.317 18.081 -11.886 1.00 0.00 H new ATOM 0 HB THR C 38 9.478 19.608 -13.932 1.00 0.00 H new ATOM 0 HG1 THR C 38 7.234 20.195 -13.733 1.00 0.00 H new ATOM 0 HG21 THR C 38 7.911 19.115 -15.786 1.00 0.00 H new ATOM 0 HG22 THR C 38 9.146 17.842 -15.638 1.00 0.00 H new ATOM 0 HG23 THR C 38 7.499 17.560 -15.026 1.00 0.00 H new ATOM 492 N GLU C 39 8.557 15.515 -13.670 1.00 0.00 N ATOM 493 CA GLU C 39 7.634 14.346 -13.746 1.00 0.00 C ATOM 494 C GLU C 39 7.966 13.351 -12.635 1.00 0.00 C ATOM 495 O GLU C 39 7.165 13.091 -11.760 1.00 0.00 O ATOM 496 CB GLU C 39 7.790 13.661 -15.103 1.00 0.00 C ATOM 497 CG GLU C 39 6.765 14.236 -16.082 1.00 0.00 C ATOM 498 CD GLU C 39 7.481 14.714 -17.346 1.00 0.00 C ATOM 499 OE1 GLU C 39 8.063 15.785 -17.304 1.00 0.00 O ATOM 500 OE2 GLU C 39 7.436 14.000 -18.333 1.00 0.00 O ATOM 0 H GLU C 39 9.420 15.423 -14.206 1.00 0.00 H new ATOM 0 HA GLU C 39 6.607 14.691 -13.626 1.00 0.00 H new ATOM 0 HB2 GLU C 39 8.799 13.812 -15.485 1.00 0.00 H new ATOM 0 HB3 GLU C 39 7.646 12.586 -14.999 1.00 0.00 H new ATOM 0 HG2 GLU C 39 6.023 13.478 -16.336 1.00 0.00 H new ATOM 0 HG3 GLU C 39 6.229 15.065 -15.619 1.00 0.00 H new ATOM 507 N GLY C 40 9.139 12.783 -12.672 1.00 0.00 N ATOM 508 CA GLY C 40 9.531 11.802 -11.621 1.00 0.00 C ATOM 509 C GLY C 40 9.240 12.390 -10.239 1.00 0.00 C ATOM 510 O GLY C 40 8.742 13.490 -10.115 1.00 0.00 O ATOM 0 H GLY C 40 9.846 12.956 -13.387 1.00 0.00 H new ATOM 0 HA2 GLY C 40 8.981 10.871 -11.755 1.00 0.00 H new ATOM 0 HA3 GLY C 40 10.590 11.562 -11.710 1.00 0.00 H new ATOM 514 N ASP C 41 9.544 11.667 -9.196 1.00 0.00 N ATOM 515 CA ASP C 41 9.280 12.192 -7.828 1.00 0.00 C ATOM 516 C ASP C 41 10.559 12.814 -7.264 1.00 0.00 C ATOM 517 O ASP C 41 10.517 13.757 -6.499 1.00 0.00 O ATOM 518 CB ASP C 41 8.821 11.050 -6.921 1.00 0.00 C ATOM 519 CG ASP C 41 7.717 11.552 -5.988 1.00 0.00 C ATOM 520 OD1 ASP C 41 6.872 12.298 -6.453 1.00 0.00 O ATOM 521 OD2 ASP C 41 7.736 11.181 -4.826 1.00 0.00 O ATOM 0 H ASP C 41 9.963 10.738 -9.232 1.00 0.00 H new ATOM 0 HA ASP C 41 8.499 12.951 -7.875 1.00 0.00 H new ATOM 0 HB2 ASP C 41 8.453 10.219 -7.523 1.00 0.00 H new ATOM 0 HB3 ASP C 41 9.662 10.674 -6.338 1.00 0.00 H new ATOM 526 N TRP C 42 11.697 12.294 -7.635 1.00 0.00 N ATOM 527 CA TRP C 42 12.977 12.858 -7.119 1.00 0.00 C ATOM 528 C TRP C 42 13.586 13.780 -8.177 1.00 0.00 C ATOM 529 O TRP C 42 13.662 13.437 -9.340 1.00 0.00 O ATOM 530 CB TRP C 42 13.953 11.719 -6.814 1.00 0.00 C ATOM 531 CG TRP C 42 13.578 11.067 -5.482 1.00 0.00 C ATOM 532 CD1 TRP C 42 12.500 10.292 -5.280 1.00 0.00 C ATOM 533 CD2 TRP C 42 14.274 11.184 -4.352 1.00 0.00 C ATOM 534 NE1 TRP C 42 12.590 9.958 -3.991 1.00 0.00 N ATOM 535 CE2 TRP C 42 13.664 10.470 -3.337 1.00 0.00 C ATOM 536 CE3 TRP C 42 15.438 11.881 -4.101 1.00 0.00 C ATOM 537 CZ2 TRP C 42 14.220 10.455 -2.074 1.00 0.00 C ATOM 538 CZ3 TRP C 42 15.992 11.866 -2.836 1.00 0.00 C ATOM 539 CH2 TRP C 42 15.383 11.152 -1.824 1.00 0.00 C ATOM 0 H TRP C 42 11.796 11.504 -8.272 1.00 0.00 H new ATOM 0 HA TRP C 42 12.784 13.423 -6.207 1.00 0.00 H new ATOM 0 HB2 TRP C 42 13.926 10.979 -7.614 1.00 0.00 H new ATOM 0 HB3 TRP C 42 14.973 12.102 -6.769 1.00 0.00 H new ATOM 0 HD1 TRP C 42 11.740 10.007 -5.992 1.00 0.00 H new ATOM 0 HE1 TRP C 42 11.902 9.362 -3.531 1.00 0.00 H new ATOM 0 HE3 TRP C 42 15.916 12.438 -4.893 1.00 0.00 H new ATOM 0 HZ2 TRP C 42 13.744 9.897 -1.281 1.00 0.00 H new ATOM 0 HZ3 TRP C 42 16.902 12.413 -2.639 1.00 0.00 H new ATOM 0 HH2 TRP C 42 15.818 11.139 -0.835 1.00 0.00 H new ATOM 550 N TRP C 43 14.020 14.947 -7.787 1.00 0.00 N ATOM 551 CA TRP C 43 14.621 15.882 -8.779 1.00 0.00 C ATOM 552 C TRP C 43 16.036 16.266 -8.347 1.00 0.00 C ATOM 553 O TRP C 43 16.404 16.144 -7.195 1.00 0.00 O ATOM 554 CB TRP C 43 13.780 17.157 -8.863 1.00 0.00 C ATOM 555 CG TRP C 43 12.296 16.799 -8.938 1.00 0.00 C ATOM 556 CD1 TRP C 43 11.789 15.751 -9.604 1.00 0.00 C ATOM 557 CD2 TRP C 43 11.316 17.502 -8.376 1.00 0.00 C ATOM 558 NE1 TRP C 43 10.474 15.868 -9.416 1.00 0.00 N ATOM 559 CE2 TRP C 43 10.090 16.932 -8.662 1.00 0.00 C ATOM 560 CE3 TRP C 43 11.382 18.645 -7.604 1.00 0.00 C ATOM 561 CZ2 TRP C 43 8.933 17.505 -8.175 1.00 0.00 C ATOM 562 CZ3 TRP C 43 10.225 19.216 -7.117 1.00 0.00 C ATOM 563 CH2 TRP C 43 9.001 18.647 -7.403 1.00 0.00 C ATOM 0 H TRP C 43 13.985 15.292 -6.828 1.00 0.00 H new ATOM 0 HA TRP C 43 14.651 15.386 -9.749 1.00 0.00 H new ATOM 0 HB2 TRP C 43 13.968 17.785 -7.992 1.00 0.00 H new ATOM 0 HB3 TRP C 43 14.068 17.736 -9.741 1.00 0.00 H new ATOM 0 HD1 TRP C 43 12.320 14.993 -10.160 1.00 0.00 H new ATOM 0 HE1 TRP C 43 9.804 15.207 -9.810 1.00 0.00 H new ATOM 0 HE3 TRP C 43 12.340 19.092 -7.382 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 7.975 17.060 -8.398 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 10.277 20.109 -6.512 1.00 0.00 H new ATOM 0 HH2 TRP C 43 8.095 19.096 -7.022 1.00 0.00 H new ATOM 574 N LEU C 44 16.832 16.731 -9.269 1.00 0.00 N ATOM 575 CA LEU C 44 18.222 17.129 -8.926 1.00 0.00 C ATOM 576 C LEU C 44 18.254 18.649 -8.786 1.00 0.00 C ATOM 577 O LEU C 44 17.700 19.360 -9.600 1.00 0.00 O ATOM 578 CB LEU C 44 19.177 16.692 -10.038 1.00 0.00 C ATOM 579 CG LEU C 44 20.604 17.077 -9.656 1.00 0.00 C ATOM 580 CD1 LEU C 44 21.548 15.914 -9.956 1.00 0.00 C ATOM 581 CD2 LEU C 44 21.028 18.296 -10.469 1.00 0.00 C ATOM 0 H LEU C 44 16.577 16.852 -10.249 1.00 0.00 H new ATOM 0 HA LEU C 44 18.534 16.654 -7.996 1.00 0.00 H new ATOM 0 HB2 LEU C 44 19.107 15.615 -10.191 1.00 0.00 H new ATOM 0 HB3 LEU C 44 18.899 17.167 -10.979 1.00 0.00 H new ATOM 0 HG LEU C 44 20.646 17.310 -8.592 1.00 0.00 H new ATOM 0 HD11 LEU C 44 22.566 16.192 -9.682 1.00 0.00 H new ATOM 0 HD12 LEU C 44 21.243 15.040 -9.380 1.00 0.00 H new ATOM 0 HD13 LEU C 44 21.510 15.679 -11.020 1.00 0.00 H new ATOM 0 HD21 LEU C 44 22.047 18.576 -10.201 1.00 0.00 H new ATOM 0 HD22 LEU C 44 20.985 18.057 -11.532 1.00 0.00 H new ATOM 0 HD23 LEU C 44 20.355 19.127 -10.256 1.00 0.00 H new ATOM 593 N ALA C 45 18.891 19.165 -7.774 1.00 0.00 N ATOM 594 CA ALA C 45 18.927 20.645 -7.622 1.00 0.00 C ATOM 595 C ALA C 45 20.357 21.145 -7.420 1.00 0.00 C ATOM 596 O ALA C 45 21.221 20.442 -6.935 1.00 0.00 O ATOM 597 CB ALA C 45 18.080 21.051 -6.415 1.00 0.00 C ATOM 0 H ALA C 45 19.382 18.635 -7.054 1.00 0.00 H new ATOM 0 HA ALA C 45 18.529 21.092 -8.533 1.00 0.00 H new ATOM 0 HB1 ALA C 45 18.105 22.135 -6.301 1.00 0.00 H new ATOM 0 HB2 ALA C 45 17.051 20.725 -6.567 1.00 0.00 H new ATOM 0 HB3 ALA C 45 18.480 20.583 -5.516 1.00 0.00 H new ATOM 603 N HIS C 46 20.594 22.369 -7.801 1.00 0.00 N ATOM 604 CA HIS C 46 21.945 22.972 -7.655 1.00 0.00 C ATOM 605 C HIS C 46 21.796 24.501 -7.708 1.00 0.00 C ATOM 606 O HIS C 46 20.977 25.015 -8.430 1.00 0.00 O ATOM 607 CB HIS C 46 22.853 22.497 -8.796 1.00 0.00 C ATOM 608 CG HIS C 46 24.315 22.804 -8.443 1.00 0.00 C ATOM 609 ND1 HIS C 46 25.296 22.004 -8.570 1.00 0.00 N ATOM 610 CD2 HIS C 46 24.868 23.958 -7.932 1.00 0.00 C ATOM 611 CE1 HIS C 46 26.384 22.569 -8.184 1.00 0.00 C ATOM 612 NE2 HIS C 46 26.183 23.800 -7.771 1.00 0.00 N ATOM 0 H HIS C 46 19.895 22.986 -8.214 1.00 0.00 H new ATOM 0 HA HIS C 46 22.392 22.670 -6.708 1.00 0.00 H new ATOM 0 HB2 HIS C 46 22.723 21.427 -8.958 1.00 0.00 H new ATOM 0 HB3 HIS C 46 22.579 22.996 -9.726 1.00 0.00 H new ATOM 0 HD1 HIS C 46 25.229 21.051 -8.927 1.00 0.00 H new ATOM 0 HD2 HIS C 46 24.318 24.857 -7.697 1.00 0.00 H new ATOM 0 HE1 HIS C 46 27.351 22.088 -8.198 1.00 0.00 H new ATOM 620 N SER C 47 22.563 25.202 -6.913 1.00 0.00 N ATOM 621 CA SER C 47 22.536 26.703 -6.852 1.00 0.00 C ATOM 622 C SER C 47 22.597 27.081 -5.379 1.00 0.00 C ATOM 623 O SER C 47 22.964 28.180 -5.015 1.00 0.00 O ATOM 624 CB SER C 47 21.273 27.279 -7.485 1.00 0.00 C ATOM 625 OG SER C 47 21.407 27.261 -8.899 1.00 0.00 O ATOM 0 H SER C 47 23.237 24.779 -6.275 1.00 0.00 H new ATOM 0 HA SER C 47 23.377 27.111 -7.412 1.00 0.00 H new ATOM 0 HB2 SER C 47 20.403 26.696 -7.183 1.00 0.00 H new ATOM 0 HB3 SER C 47 21.110 28.299 -7.136 1.00 0.00 H new ATOM 0 HG SER C 47 21.540 26.339 -9.203 1.00 0.00 H new ATOM 631 N LEU C 48 22.212 26.145 -4.554 1.00 0.00 N ATOM 632 CA LEU C 48 22.201 26.310 -3.073 1.00 0.00 C ATOM 633 C LEU C 48 23.067 27.496 -2.637 1.00 0.00 C ATOM 634 O LEU C 48 22.570 28.505 -2.177 1.00 0.00 O ATOM 635 CB LEU C 48 22.773 25.018 -2.478 1.00 0.00 C ATOM 636 CG LEU C 48 23.762 24.419 -3.489 1.00 0.00 C ATOM 637 CD1 LEU C 48 24.975 23.845 -2.751 1.00 0.00 C ATOM 638 CD2 LEU C 48 23.093 23.320 -4.318 1.00 0.00 C ATOM 0 H LEU C 48 21.889 25.229 -4.864 1.00 0.00 H new ATOM 0 HA LEU C 48 21.185 26.503 -2.728 1.00 0.00 H new ATOM 0 HB2 LEU C 48 23.275 25.225 -1.533 1.00 0.00 H new ATOM 0 HB3 LEU C 48 21.972 24.310 -2.266 1.00 0.00 H new ATOM 0 HG LEU C 48 24.088 25.211 -4.163 1.00 0.00 H new ATOM 0 HD11 LEU C 48 25.673 23.421 -3.473 1.00 0.00 H new ATOM 0 HD12 LEU C 48 25.469 24.639 -2.191 1.00 0.00 H new ATOM 0 HD13 LEU C 48 24.647 23.066 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU C 48 23.812 22.910 -5.027 1.00 0.00 H new ATOM 0 HD22 LEU C 48 22.744 22.527 -3.657 1.00 0.00 H new ATOM 0 HD23 LEU C 48 22.246 23.739 -4.861 1.00 0.00 H new ATOM 650 N THR C 49 24.360 27.382 -2.780 1.00 0.00 N ATOM 651 CA THR C 49 25.260 28.500 -2.375 1.00 0.00 C ATOM 652 C THR C 49 26.574 28.414 -3.157 1.00 0.00 C ATOM 653 O THR C 49 26.889 29.276 -3.954 1.00 0.00 O ATOM 654 CB THR C 49 25.554 28.399 -0.877 1.00 0.00 C ATOM 655 OG1 THR C 49 24.848 27.292 -0.332 1.00 0.00 O ATOM 656 CG2 THR C 49 25.108 29.684 -0.177 1.00 0.00 C ATOM 0 H THR C 49 24.832 26.562 -3.160 1.00 0.00 H new ATOM 0 HA THR C 49 24.773 29.451 -2.590 1.00 0.00 H new ATOM 0 HB THR C 49 26.625 28.260 -0.726 1.00 0.00 H new ATOM 0 HG1 THR C 49 25.036 27.224 0.627 1.00 0.00 H new ATOM 0 HG21 THR C 49 25.319 29.609 0.890 1.00 0.00 H new ATOM 0 HG22 THR C 49 25.649 30.533 -0.595 1.00 0.00 H new ATOM 0 HG23 THR C 49 24.038 29.827 -0.326 1.00 0.00 H new ATOM 664 N THR C 50 27.344 27.381 -2.937 1.00 0.00 N ATOM 665 CA THR C 50 28.636 27.244 -3.668 1.00 0.00 C ATOM 666 C THR C 50 28.383 26.549 -5.012 1.00 0.00 C ATOM 667 O THR C 50 27.849 27.141 -5.930 1.00 0.00 O ATOM 668 CB THR C 50 29.613 26.421 -2.823 1.00 0.00 C ATOM 669 OG1 THR C 50 28.964 25.243 -2.364 1.00 0.00 O ATOM 670 CG2 THR C 50 30.075 27.248 -1.622 1.00 0.00 C ATOM 0 H THR C 50 27.133 26.627 -2.283 1.00 0.00 H new ATOM 0 HA THR C 50 29.067 28.228 -3.850 1.00 0.00 H new ATOM 0 HB THR C 50 30.477 26.149 -3.430 1.00 0.00 H new ATOM 0 HG1 THR C 50 29.589 24.714 -1.825 1.00 0.00 H new ATOM 0 HG21 THR C 50 30.770 26.661 -1.022 1.00 0.00 H new ATOM 0 HG22 THR C 50 30.572 28.152 -1.973 1.00 0.00 H new ATOM 0 HG23 THR C 50 29.212 27.521 -1.015 1.00 0.00 H new ATOM 678 N GLY C 51 28.758 25.302 -5.147 1.00 0.00 N ATOM 679 CA GLY C 51 28.525 24.599 -6.439 1.00 0.00 C ATOM 680 C GLY C 51 28.403 23.096 -6.189 1.00 0.00 C ATOM 681 O GLY C 51 29.291 22.333 -6.517 1.00 0.00 O ATOM 0 H GLY C 51 29.212 24.746 -4.422 1.00 0.00 H new ATOM 0 HA2 GLY C 51 27.617 24.975 -6.911 1.00 0.00 H new ATOM 0 HA3 GLY C 51 29.347 24.798 -7.127 1.00 0.00 H new ATOM 685 N GLN C 52 27.319 22.659 -5.614 1.00 0.00 N ATOM 686 CA GLN C 52 27.168 21.200 -5.356 1.00 0.00 C ATOM 687 C GLN C 52 25.755 20.748 -5.716 1.00 0.00 C ATOM 688 O GLN C 52 24.778 21.210 -5.161 1.00 0.00 O ATOM 689 CB GLN C 52 27.430 20.908 -3.879 1.00 0.00 C ATOM 690 CG GLN C 52 28.938 20.809 -3.638 1.00 0.00 C ATOM 691 CD GLN C 52 29.209 20.693 -2.138 1.00 0.00 C ATOM 692 OE1 GLN C 52 29.272 21.687 -1.441 1.00 0.00 O ATOM 693 NE2 GLN C 52 29.373 19.513 -1.606 1.00 0.00 N ATOM 0 H GLN C 52 26.538 23.242 -5.314 1.00 0.00 H new ATOM 0 HA GLN C 52 27.887 20.658 -5.970 1.00 0.00 H new ATOM 0 HB2 GLN C 52 27.003 21.697 -3.260 1.00 0.00 H new ATOM 0 HB3 GLN C 52 26.943 19.977 -3.589 1.00 0.00 H new ATOM 0 HG2 GLN C 52 29.344 19.942 -4.160 1.00 0.00 H new ATOM 0 HG3 GLN C 52 29.440 21.688 -4.042 1.00 0.00 H new ATOM 0 HE21 GLN C 52 29.320 18.678 -2.190 1.00 0.00 H new ATOM 0 HE22 GLN C 52 29.554 19.425 -0.606 1.00 0.00 H new ATOM 702 N THR C 53 25.644 19.844 -6.646 1.00 0.00 N ATOM 703 CA THR C 53 24.304 19.346 -7.055 1.00 0.00 C ATOM 704 C THR C 53 23.891 18.235 -6.081 1.00 0.00 C ATOM 705 O THR C 53 24.703 17.726 -5.335 1.00 0.00 O ATOM 706 CB THR C 53 24.393 18.820 -8.508 1.00 0.00 C ATOM 707 OG1 THR C 53 23.500 19.556 -9.328 1.00 0.00 O ATOM 708 CG2 THR C 53 24.033 17.331 -8.589 1.00 0.00 C ATOM 0 H THR C 53 26.430 19.426 -7.144 1.00 0.00 H new ATOM 0 HA THR C 53 23.555 20.138 -7.024 1.00 0.00 H new ATOM 0 HB THR C 53 25.420 18.945 -8.851 1.00 0.00 H new ATOM 0 HG1 THR C 53 23.854 19.599 -10.241 1.00 0.00 H new ATOM 0 HG21 THR C 53 24.106 16.995 -9.623 1.00 0.00 H new ATOM 0 HG22 THR C 53 24.722 16.756 -7.971 1.00 0.00 H new ATOM 0 HG23 THR C 53 23.014 17.183 -8.230 1.00 0.00 H new ATOM 716 N GLY C 54 22.646 17.853 -6.079 1.00 0.00 N ATOM 717 CA GLY C 54 22.217 16.776 -5.145 1.00 0.00 C ATOM 718 C GLY C 54 20.766 16.382 -5.424 1.00 0.00 C ATOM 719 O GLY C 54 19.866 17.194 -5.350 1.00 0.00 O ATOM 0 H GLY C 54 21.913 18.235 -6.677 1.00 0.00 H new ATOM 0 HA2 GLY C 54 22.865 15.907 -5.258 1.00 0.00 H new ATOM 0 HA3 GLY C 54 22.317 17.117 -4.115 1.00 0.00 H new ATOM 723 N TYR C 55 20.533 15.139 -5.751 1.00 0.00 N ATOM 724 CA TYR C 55 19.148 14.690 -6.032 1.00 0.00 C ATOM 725 C TYR C 55 18.270 14.980 -4.812 1.00 0.00 C ATOM 726 O TYR C 55 18.132 14.159 -3.928 1.00 0.00 O ATOM 727 CB TYR C 55 19.157 13.189 -6.301 1.00 0.00 C ATOM 728 CG TYR C 55 19.842 12.902 -7.638 1.00 0.00 C ATOM 729 CD1 TYR C 55 19.626 13.716 -8.734 1.00 0.00 C ATOM 730 CD2 TYR C 55 20.658 11.800 -7.777 1.00 0.00 C ATOM 731 CE1 TYR C 55 20.214 13.424 -9.948 1.00 0.00 C ATOM 732 CE2 TYR C 55 21.246 11.509 -8.990 1.00 0.00 C ATOM 733 CZ TYR C 55 21.028 12.319 -10.085 1.00 0.00 C ATOM 734 OH TYR C 55 21.614 12.027 -11.300 1.00 0.00 O ATOM 0 H TYR C 55 21.248 14.416 -5.835 1.00 0.00 H new ATOM 0 HA TYR C 55 18.755 15.218 -6.901 1.00 0.00 H new ATOM 0 HB2 TYR C 55 19.679 12.670 -5.497 1.00 0.00 H new ATOM 0 HB3 TYR C 55 18.136 12.808 -6.317 1.00 0.00 H new ATOM 0 HD1 TYR C 55 18.993 14.586 -8.640 1.00 0.00 H new ATOM 0 HD2 TYR C 55 20.839 11.158 -6.928 1.00 0.00 H new ATOM 0 HE1 TYR C 55 20.035 14.066 -10.798 1.00 0.00 H new ATOM 0 HE2 TYR C 55 21.882 10.641 -9.083 1.00 0.00 H new ATOM 0 HH TYR C 55 22.155 11.215 -11.215 1.00 0.00 H new ATOM 744 N ILE C 56 17.678 16.141 -4.754 1.00 0.00 N ATOM 745 CA ILE C 56 16.813 16.473 -3.588 1.00 0.00 C ATOM 746 C ILE C 56 15.394 15.945 -3.833 1.00 0.00 C ATOM 747 O ILE C 56 14.875 16.066 -4.925 1.00 0.00 O ATOM 748 CB ILE C 56 16.765 17.990 -3.407 1.00 0.00 C ATOM 749 CG1 ILE C 56 16.114 18.627 -4.636 1.00 0.00 C ATOM 750 CG2 ILE C 56 18.188 18.529 -3.249 1.00 0.00 C ATOM 751 CD1 ILE C 56 14.593 18.611 -4.475 1.00 0.00 C ATOM 0 H ILE C 56 17.756 16.872 -5.461 1.00 0.00 H new ATOM 0 HA ILE C 56 17.222 16.010 -2.690 1.00 0.00 H new ATOM 0 HB ILE C 56 16.183 18.233 -2.518 1.00 0.00 H new ATOM 0 HG12 ILE C 56 16.467 19.651 -4.757 1.00 0.00 H new ATOM 0 HG13 ILE C 56 16.401 18.082 -5.536 1.00 0.00 H new ATOM 0 HG21 ILE C 56 18.155 19.611 -3.120 1.00 0.00 H new ATOM 0 HG22 ILE C 56 18.655 18.073 -2.376 1.00 0.00 H new ATOM 0 HG23 ILE C 56 18.769 18.287 -4.139 1.00 0.00 H new ATOM 0 HD11 ILE C 56 14.130 19.065 -5.351 1.00 0.00 H new ATOM 0 HD12 ILE C 56 14.249 17.582 -4.375 1.00 0.00 H new ATOM 0 HD13 ILE C 56 14.315 19.175 -3.584 1.00 0.00 H new ATOM 763 N PRO C 57 14.806 15.373 -2.810 1.00 0.00 N ATOM 764 CA PRO C 57 13.443 14.821 -2.902 1.00 0.00 C ATOM 765 C PRO C 57 12.444 15.938 -3.218 1.00 0.00 C ATOM 766 O PRO C 57 12.593 17.060 -2.775 1.00 0.00 O ATOM 767 CB PRO C 57 13.164 14.227 -1.516 1.00 0.00 C ATOM 768 CG PRO C 57 14.396 14.519 -0.622 1.00 0.00 C ATOM 769 CD PRO C 57 15.448 15.227 -1.490 1.00 0.00 C ATOM 0 HA PRO C 57 13.349 14.076 -3.692 1.00 0.00 H new ATOM 0 HB2 PRO C 57 12.265 14.668 -1.085 1.00 0.00 H new ATOM 0 HB3 PRO C 57 12.989 13.153 -1.588 1.00 0.00 H new ATOM 0 HG2 PRO C 57 14.114 15.146 0.224 1.00 0.00 H new ATOM 0 HG3 PRO C 57 14.799 13.593 -0.212 1.00 0.00 H new ATOM 0 HD2 PRO C 57 15.719 16.196 -1.072 1.00 0.00 H new ATOM 0 HD3 PRO C 57 16.365 14.641 -1.558 1.00 0.00 H new ATOM 777 N SER C 58 11.429 15.642 -3.981 1.00 0.00 N ATOM 778 CA SER C 58 10.425 16.682 -4.325 1.00 0.00 C ATOM 779 C SER C 58 9.560 16.998 -3.101 1.00 0.00 C ATOM 780 O SER C 58 9.055 18.093 -2.954 1.00 0.00 O ATOM 781 CB SER C 58 9.540 16.159 -5.454 1.00 0.00 C ATOM 782 OG SER C 58 8.751 15.080 -4.975 1.00 0.00 O ATOM 0 H SER C 58 11.253 14.721 -4.382 1.00 0.00 H new ATOM 0 HA SER C 58 10.935 17.592 -4.642 1.00 0.00 H new ATOM 0 HB2 SER C 58 8.897 16.957 -5.826 1.00 0.00 H new ATOM 0 HB3 SER C 58 10.156 15.830 -6.291 1.00 0.00 H new ATOM 0 HG SER C 58 9.092 14.238 -5.342 1.00 0.00 H new ATOM 788 N ASN C 59 9.384 16.048 -2.221 1.00 0.00 N ATOM 789 CA ASN C 59 8.552 16.297 -1.014 1.00 0.00 C ATOM 790 C ASN C 59 9.351 17.109 0.009 1.00 0.00 C ATOM 791 O ASN C 59 8.808 17.624 0.966 1.00 0.00 O ATOM 792 CB ASN C 59 8.149 14.959 -0.398 1.00 0.00 C ATOM 793 CG ASN C 59 9.376 14.050 -0.299 1.00 0.00 C ATOM 794 OD1 ASN C 59 10.470 14.513 -0.048 1.00 0.00 O ATOM 795 ND2 ASN C 59 9.239 12.765 -0.485 1.00 0.00 N ATOM 0 H ASN C 59 9.782 15.111 -2.288 1.00 0.00 H new ATOM 0 HA ASN C 59 7.661 16.857 -1.297 1.00 0.00 H new ATOM 0 HB2 ASN C 59 7.720 15.117 0.591 1.00 0.00 H new ATOM 0 HB3 ASN C 59 7.380 14.484 -1.007 1.00 0.00 H new ATOM 0 HD21 ASN C 59 10.051 12.151 -0.419 1.00 0.00 H new ATOM 0 HD22 ASN C 59 8.320 12.375 -0.696 1.00 0.00 H new ATOM 802 N TYR C 60 10.637 17.228 -0.183 1.00 0.00 N ATOM 803 CA TYR C 60 11.464 18.007 0.782 1.00 0.00 C ATOM 804 C TYR C 60 11.694 19.419 0.242 1.00 0.00 C ATOM 805 O TYR C 60 12.585 20.120 0.679 1.00 0.00 O ATOM 806 CB TYR C 60 12.814 17.312 0.976 1.00 0.00 C ATOM 807 CG TYR C 60 12.648 16.112 1.915 1.00 0.00 C ATOM 808 CD1 TYR C 60 11.400 15.579 2.166 1.00 0.00 C ATOM 809 CD2 TYR C 60 13.751 15.539 2.514 1.00 0.00 C ATOM 810 CE1 TYR C 60 11.258 14.491 3.003 1.00 0.00 C ATOM 811 CE2 TYR C 60 13.609 14.451 3.351 1.00 0.00 C ATOM 812 CZ TYR C 60 12.361 13.918 3.602 1.00 0.00 C ATOM 813 OH TYR C 60 12.217 12.831 4.439 1.00 0.00 O ATOM 0 H TYR C 60 11.150 16.820 -0.965 1.00 0.00 H new ATOM 0 HA TYR C 60 10.942 18.065 1.737 1.00 0.00 H new ATOM 0 HB2 TYR C 60 13.205 16.982 0.014 1.00 0.00 H new ATOM 0 HB3 TYR C 60 13.538 18.013 1.391 1.00 0.00 H new ATOM 0 HD1 TYR C 60 10.528 16.017 1.704 1.00 0.00 H new ATOM 0 HD2 TYR C 60 14.734 15.945 2.326 1.00 0.00 H new ATOM 0 HE1 TYR C 60 10.275 14.085 3.191 1.00 0.00 H new ATOM 0 HE2 TYR C 60 14.481 14.013 3.813 1.00 0.00 H new ATOM 0 HH TYR C 60 11.285 12.529 4.426 1.00 0.00 H new ATOM 823 N VAL C 61 10.897 19.842 -0.705 1.00 0.00 N ATOM 824 CA VAL C 61 11.069 21.211 -1.275 1.00 0.00 C ATOM 825 C VAL C 61 9.728 21.701 -1.829 1.00 0.00 C ATOM 826 O VAL C 61 8.789 20.945 -1.975 1.00 0.00 O ATOM 827 CB VAL C 61 12.119 21.169 -2.395 1.00 0.00 C ATOM 828 CG1 VAL C 61 11.961 19.875 -3.198 1.00 0.00 C ATOM 829 CG2 VAL C 61 11.952 22.368 -3.332 1.00 0.00 C ATOM 0 H VAL C 61 10.134 19.298 -1.108 1.00 0.00 H new ATOM 0 HA VAL C 61 11.406 21.896 -0.497 1.00 0.00 H new ATOM 0 HB VAL C 61 13.111 21.207 -1.944 1.00 0.00 H new ATOM 0 HG11 VAL C 61 12.707 19.846 -3.992 1.00 0.00 H new ATOM 0 HG12 VAL C 61 12.100 19.018 -2.539 1.00 0.00 H new ATOM 0 HG13 VAL C 61 10.963 19.838 -3.635 1.00 0.00 H new ATOM 0 HG21 VAL C 61 12.704 22.322 -4.119 1.00 0.00 H new ATOM 0 HG22 VAL C 61 10.958 22.345 -3.778 1.00 0.00 H new ATOM 0 HG23 VAL C 61 12.075 23.292 -2.766 1.00 0.00 H new ATOM 839 N ALA C 62 9.639 22.964 -2.139 1.00 0.00 N ATOM 840 CA ALA C 62 8.364 23.511 -2.684 1.00 0.00 C ATOM 841 C ALA C 62 8.679 24.588 -3.729 1.00 0.00 C ATOM 842 O ALA C 62 9.589 25.375 -3.549 1.00 0.00 O ATOM 843 CB ALA C 62 7.547 24.129 -1.549 1.00 0.00 C ATOM 0 H ALA C 62 10.394 23.642 -2.039 1.00 0.00 H new ATOM 0 HA ALA C 62 7.792 22.707 -3.147 1.00 0.00 H new ATOM 0 HB1 ALA C 62 6.615 24.529 -1.948 1.00 0.00 H new ATOM 0 HB2 ALA C 62 7.325 23.366 -0.803 1.00 0.00 H new ATOM 0 HB3 ALA C 62 8.118 24.934 -1.086 1.00 0.00 H new ATOM 849 N PRO C 63 7.916 24.592 -4.797 1.00 0.00 N ATOM 850 CA PRO C 63 8.097 25.567 -5.887 1.00 0.00 C ATOM 851 C PRO C 63 7.830 26.987 -5.376 1.00 0.00 C ATOM 852 O PRO C 63 6.697 27.397 -5.221 1.00 0.00 O ATOM 853 CB PRO C 63 7.055 25.177 -6.944 1.00 0.00 C ATOM 854 CG PRO C 63 6.254 23.969 -6.391 1.00 0.00 C ATOM 855 CD PRO C 63 6.825 23.623 -5.007 1.00 0.00 C ATOM 0 HA PRO C 63 9.111 25.556 -6.286 1.00 0.00 H new ATOM 0 HB2 PRO C 63 6.389 26.015 -7.152 1.00 0.00 H new ATOM 0 HB3 PRO C 63 7.542 24.916 -7.883 1.00 0.00 H new ATOM 0 HG2 PRO C 63 5.195 24.214 -6.317 1.00 0.00 H new ATOM 0 HG3 PRO C 63 6.337 23.115 -7.063 1.00 0.00 H new ATOM 0 HD2 PRO C 63 6.064 23.710 -4.232 1.00 0.00 H new ATOM 0 HD3 PRO C 63 7.195 22.598 -4.977 1.00 0.00 H new ATOM 863 N SER C 64 8.863 27.739 -5.115 1.00 0.00 N ATOM 864 CA SER C 64 8.665 29.129 -4.614 1.00 0.00 C ATOM 865 C SER C 64 10.004 29.869 -4.620 1.00 0.00 C ATOM 866 O SER C 64 10.064 30.938 -5.205 1.00 0.00 O ATOM 867 CB SER C 64 8.114 29.083 -3.187 1.00 0.00 C ATOM 868 OG SER C 64 7.024 29.986 -3.071 1.00 0.00 O ATOM 869 OXT SER C 64 10.945 29.355 -4.041 1.00 0.00 O ATOM 0 H SER C 64 9.835 27.452 -5.227 1.00 0.00 H new ATOM 0 HA SER C 64 7.959 29.651 -5.260 1.00 0.00 H new ATOM 0 HB2 SER C 64 7.789 28.071 -2.944 1.00 0.00 H new ATOM 0 HB3 SER C 64 8.896 29.347 -2.475 1.00 0.00 H new ATOM 0 HG SER C 64 6.670 29.956 -2.158 1.00 0.00 H new ATOM 876 N ALA A 71 12.106 15.299 14.766 1.00 0.00 N ATOM 877 CA ALA A 71 11.955 13.818 14.805 1.00 0.00 C ATOM 878 C ALA A 71 12.278 13.234 13.427 1.00 0.00 C ATOM 879 O ALA A 71 11.826 12.164 13.074 1.00 0.00 O ATOM 880 CB ALA A 71 10.516 13.460 15.184 1.00 0.00 C ATOM 0 HA ALA A 71 12.640 13.404 15.545 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.406 12.376 15.212 1.00 0.00 H new ATOM 0 HB2 ALA A 71 10.285 13.874 16.165 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.831 13.875 14.445 1.00 0.00 H new ATOM 888 N PHE A 72 13.057 13.930 12.645 1.00 0.00 N ATOM 889 CA PHE A 72 13.406 13.412 11.291 1.00 0.00 C ATOM 890 C PHE A 72 12.194 13.547 10.368 1.00 0.00 C ATOM 891 O PHE A 72 11.066 13.359 10.777 1.00 0.00 O ATOM 892 CB PHE A 72 13.804 11.939 11.397 1.00 0.00 C ATOM 893 CG PHE A 72 15.162 11.727 10.726 1.00 0.00 C ATOM 894 CD1 PHE A 72 15.281 11.792 9.350 1.00 0.00 C ATOM 895 CD2 PHE A 72 16.288 11.466 11.487 1.00 0.00 C ATOM 896 CE1 PHE A 72 16.507 11.599 8.744 1.00 0.00 C ATOM 897 CE2 PHE A 72 17.511 11.273 10.881 1.00 0.00 C ATOM 898 CZ PHE A 72 17.621 11.339 9.510 1.00 0.00 C ATOM 0 H PHE A 72 13.466 14.833 12.884 1.00 0.00 H new ATOM 0 HA PHE A 72 14.239 13.985 10.885 1.00 0.00 H new ATOM 0 HB2 PHE A 72 13.853 11.639 12.444 1.00 0.00 H new ATOM 0 HB3 PHE A 72 13.050 11.312 10.921 1.00 0.00 H new ATOM 0 HD1 PHE A 72 14.410 11.995 8.745 1.00 0.00 H new ATOM 0 HD2 PHE A 72 16.208 11.413 12.563 1.00 0.00 H new ATOM 0 HE1 PHE A 72 16.592 11.652 7.669 1.00 0.00 H new ATOM 0 HE2 PHE A 72 18.385 11.070 11.483 1.00 0.00 H new ATOM 0 HZ PHE A 72 18.580 11.187 9.036 1.00 0.00 H new ATOM 908 N ALA A 73 12.416 13.871 9.124 1.00 0.00 N ATOM 909 CA ALA A 73 11.276 14.016 8.177 1.00 0.00 C ATOM 910 C ALA A 73 10.641 12.646 7.928 1.00 0.00 C ATOM 911 O ALA A 73 11.165 11.635 8.352 1.00 0.00 O ATOM 912 CB ALA A 73 11.783 14.592 6.853 1.00 0.00 C ATOM 0 H ALA A 73 13.338 14.042 8.723 1.00 0.00 H new ATOM 0 HA ALA A 73 10.532 14.688 8.605 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.949 14.698 6.159 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.234 15.568 7.030 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.527 13.920 6.425 1.00 0.00 H new ATOM 918 N PRO A 74 9.524 12.654 7.243 1.00 0.00 N ATOM 919 CA PRO A 74 8.791 11.416 6.922 1.00 0.00 C ATOM 920 C PRO A 74 9.666 10.484 6.074 1.00 0.00 C ATOM 921 O PRO A 74 10.675 10.900 5.540 1.00 0.00 O ATOM 922 CB PRO A 74 7.565 11.881 6.123 1.00 0.00 C ATOM 923 CG PRO A 74 7.637 13.426 6.006 1.00 0.00 C ATOM 924 CD PRO A 74 8.906 13.892 6.737 1.00 0.00 C ATOM 0 HA PRO A 74 8.510 10.857 7.815 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.557 11.423 5.134 1.00 0.00 H new ATOM 0 HB3 PRO A 74 6.645 11.578 6.623 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.666 13.729 4.959 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.752 13.884 6.447 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.578 14.423 6.063 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.665 14.576 7.551 1.00 0.00 H new ATOM 932 N PRO A 75 9.248 9.248 5.977 1.00 0.00 N ATOM 933 CA PRO A 75 9.976 8.229 5.200 1.00 0.00 C ATOM 934 C PRO A 75 10.054 8.641 3.726 1.00 0.00 C ATOM 935 O PRO A 75 9.059 8.963 3.109 1.00 0.00 O ATOM 936 CB PRO A 75 9.149 6.946 5.358 1.00 0.00 C ATOM 937 CG PRO A 75 7.928 7.280 6.256 1.00 0.00 C ATOM 938 CD PRO A 75 8.019 8.766 6.636 1.00 0.00 C ATOM 0 HA PRO A 75 11.001 8.099 5.546 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.820 6.581 4.385 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.750 6.156 5.808 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.997 7.077 5.726 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.929 6.656 7.150 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.143 9.317 6.292 1.00 0.00 H new ATOM 0 HD3 PRO A 75 8.073 8.896 7.717 1.00 0.00 H new ATOM 946 N LEU A 76 11.230 8.634 3.160 1.00 0.00 N ATOM 947 CA LEU A 76 11.373 9.024 1.728 1.00 0.00 C ATOM 948 C LEU A 76 11.076 7.811 0.841 1.00 0.00 C ATOM 949 O LEU A 76 11.342 6.689 1.221 1.00 0.00 O ATOM 950 CB LEU A 76 12.805 9.501 1.470 1.00 0.00 C ATOM 951 CG LEU A 76 12.926 10.982 1.837 1.00 0.00 C ATOM 952 CD1 LEU A 76 14.351 11.274 2.309 1.00 0.00 C ATOM 953 CD2 LEU A 76 12.609 11.841 0.612 1.00 0.00 C ATOM 0 H LEU A 76 12.099 8.375 3.628 1.00 0.00 H new ATOM 0 HA LEU A 76 10.674 9.828 1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 76 13.507 8.911 2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 76 13.065 9.353 0.422 1.00 0.00 H new ATOM 0 HG LEU A 76 12.222 11.216 2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 76 14.439 12.328 2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 76 14.577 10.663 3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 76 15.054 11.039 1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.695 12.895 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.312 11.607 -0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.593 11.633 0.275 1.00 0.00 H new ATOM 965 N PRO A 77 10.531 8.074 -0.321 1.00 0.00 N ATOM 966 CA PRO A 77 10.187 7.013 -1.284 1.00 0.00 C ATOM 967 C PRO A 77 11.452 6.260 -1.709 1.00 0.00 C ATOM 968 O PRO A 77 12.559 6.695 -1.460 1.00 0.00 O ATOM 969 CB PRO A 77 9.568 7.750 -2.478 1.00 0.00 C ATOM 970 CG PRO A 77 9.590 9.267 -2.159 1.00 0.00 C ATOM 971 CD PRO A 77 10.213 9.443 -0.765 1.00 0.00 C ATOM 0 HA PRO A 77 9.504 6.274 -0.865 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.130 7.543 -3.389 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.547 7.410 -2.649 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.170 9.807 -2.908 1.00 0.00 H new ATOM 0 HG3 PRO A 77 8.580 9.677 -2.181 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.108 10.064 -0.807 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.519 9.930 -0.080 1.00 0.00 H new ATOM 979 N ARG A 78 11.296 5.134 -2.350 1.00 0.00 N ATOM 980 CA ARG A 78 12.489 4.357 -2.790 1.00 0.00 C ATOM 981 C ARG A 78 12.954 4.867 -4.156 1.00 0.00 C ATOM 982 O ARG A 78 13.015 4.127 -5.117 1.00 0.00 O ATOM 983 CB ARG A 78 12.122 2.876 -2.896 1.00 0.00 C ATOM 984 CG ARG A 78 12.894 2.082 -1.841 1.00 0.00 C ATOM 985 CD ARG A 78 13.757 1.024 -2.531 1.00 0.00 C ATOM 986 NE ARG A 78 15.187 1.443 -2.490 1.00 0.00 N ATOM 987 CZ ARG A 78 16.114 0.652 -2.958 1.00 0.00 C ATOM 988 NH1 ARG A 78 15.794 -0.508 -3.466 1.00 0.00 N ATOM 989 NH2 ARG A 78 17.365 1.022 -2.920 1.00 0.00 N ATOM 0 H ARG A 78 10.395 4.719 -2.588 1.00 0.00 H new ATOM 0 HA ARG A 78 13.292 4.481 -2.063 1.00 0.00 H new ATOM 0 HB2 ARG A 78 11.049 2.745 -2.752 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.358 2.502 -3.892 1.00 0.00 H new ATOM 0 HG2 ARG A 78 13.521 2.752 -1.253 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.200 1.606 -1.149 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.635 0.061 -2.036 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.435 0.894 -3.564 1.00 0.00 H new ATOM 0 HE ARG A 78 15.441 2.349 -2.096 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.817 -0.799 -3.498 1.00 0.00 H new ATOM 0 HH12 ARG A 78 16.521 -1.123 -3.831 1.00 0.00 H new ATOM 0 HH21 ARG A 78 17.617 1.928 -2.525 1.00 0.00 H new ATOM 0 HH22 ARG A 78 18.091 0.405 -3.285 1.00 0.00 H new ATOM 1003 N ARG A 79 13.285 6.126 -4.247 1.00 0.00 N ATOM 1004 CA ARG A 79 13.745 6.683 -5.550 1.00 0.00 C ATOM 1005 C ARG A 79 12.657 6.475 -6.607 1.00 0.00 C ATOM 1006 O ARG A 79 11.784 5.655 -6.378 1.00 0.00 O ATOM 1007 CB ARG A 79 15.025 5.968 -5.989 1.00 0.00 C ATOM 1008 CG ARG A 79 16.243 6.788 -5.555 1.00 0.00 C ATOM 1009 CD ARG A 79 17.335 6.679 -6.620 1.00 0.00 C ATOM 1010 NE ARG A 79 17.922 8.027 -6.869 1.00 0.00 N ATOM 1011 CZ ARG A 79 18.796 8.528 -6.036 1.00 0.00 C ATOM 1012 NH1 ARG A 79 19.160 7.853 -4.980 1.00 0.00 N ATOM 1013 NH2 ARG A 79 19.304 9.709 -6.261 1.00 0.00 N ATOM 1014 OXT ARG A 79 12.716 7.141 -7.628 1.00 0.00 O ATOM 0 H ARG A 79 13.257 6.793 -3.475 1.00 0.00 H new ATOM 0 HA ARG A 79 13.945 7.749 -5.438 1.00 0.00 H new ATOM 0 HB2 ARG A 79 15.068 4.972 -5.547 1.00 0.00 H new ATOM 0 HB3 ARG A 79 15.028 5.837 -7.071 1.00 0.00 H new ATOM 0 HG2 ARG A 79 15.961 7.831 -5.413 1.00 0.00 H new ATOM 0 HG3 ARG A 79 16.616 6.426 -4.597 1.00 0.00 H new ATOM 0 HD2 ARG A 79 18.111 5.988 -6.291 1.00 0.00 H new ATOM 0 HD3 ARG A 79 16.919 6.276 -7.543 1.00 0.00 H new ATOM 0 HE ARG A 79 17.641 8.560 -7.692 1.00 0.00 H new ATOM 0 HH11 ARG A 79 18.762 6.931 -4.802 1.00 0.00 H new ATOM 0 HH12 ARG A 79 19.842 8.248 -4.333 1.00 0.00 H new ATOM 0 HH21 ARG A 79 19.019 10.238 -7.085 1.00 0.00 H new ATOM 0 HH22 ARG A 79 19.986 10.103 -5.613 1.00 0.00 H new