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 33 GLN : amide:sc= -5.33! C(o=-9.7!,f=-12!) USER MOD Set 1.2: C 46 HIS :FLIP no HE2:sc= -4.33! C(o=-13!,f=-9.7!) USER MOD Set 2.1: C 16 TYR OH : rot 105:sc= -0.258 USER MOD Set 2.2: C 18 SER OG : rot 90:sc= -0.82 USER MOD Set 2.3: C 20 THR OG1 : rot 100:sc= 1.08 USER MOD Single : C 9 THR OG1 : rot 31:sc= 0.0277 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 22 THR OG1 : rot 180:sc= 0 USER MOD Single : C 25 SER OG : rot 83:sc= 0.143 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 36 ASN : amide:sc= -4.04! C(o=-4!,f=-7.9!) USER MOD Single : C 37 ASN : amide:sc= -0.973! C(o=-0.97!,f=-7.3!) USER MOD Single : C 38 THR OG1 : rot -41:sc= 0.569 USER MOD Single : C 47 SER OG : rot 180:sc= 0.0783 USER MOD Single : C 49 THR OG1 : rot 180:sc= 0 USER MOD Single : C 50 THR OG1 : rot 180:sc= -0.0113 USER MOD Single : C 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 53 THR OG1 : rot 180:sc= -0.0803 USER MOD Single : C 55 TYR OH : rot 180:sc= 0 USER MOD Single : C 58 SER OG : rot 80:sc= -0.917 USER MOD Single : C 59 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.52) USER MOD Single : C 60 TYR OH : rot 33:sc= 0.849 USER MOD Single : C 64 SER OG : rot -23:sc= -2! USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 9 12.109 29.569 -7.683 1.00 0.00 N ATOM 2 CA THR C 9 13.120 28.548 -7.288 1.00 0.00 C ATOM 3 C THR C 9 12.542 27.658 -6.186 1.00 0.00 C ATOM 4 O THR C 9 11.688 28.068 -5.426 1.00 0.00 O ATOM 5 CB THR C 9 14.378 29.249 -6.771 1.00 0.00 C ATOM 6 OG1 THR C 9 14.999 29.950 -7.840 1.00 0.00 O ATOM 7 CG2 THR C 9 15.349 28.211 -6.207 1.00 0.00 C ATOM 0 HA THR C 9 13.375 27.936 -8.153 1.00 0.00 H new ATOM 0 HB THR C 9 14.105 29.952 -5.984 1.00 0.00 H new ATOM 0 HG1 THR C 9 14.316 30.243 -8.479 1.00 0.00 H new ATOM 0 HG21 THR C 9 16.244 28.712 -5.839 1.00 0.00 H new ATOM 0 HG22 THR C 9 14.872 27.674 -5.388 1.00 0.00 H new ATOM 0 HG23 THR C 9 15.624 27.506 -6.992 1.00 0.00 H new ATOM 15 N PHE C 10 13.001 26.440 -6.093 1.00 0.00 N ATOM 16 CA PHE C 10 12.477 25.525 -5.040 1.00 0.00 C ATOM 17 C PHE C 10 13.275 25.725 -3.749 1.00 0.00 C ATOM 18 O PHE C 10 14.337 26.315 -3.749 1.00 0.00 O ATOM 19 CB PHE C 10 12.614 24.075 -5.509 1.00 0.00 C ATOM 20 CG PHE C 10 11.439 23.724 -6.425 1.00 0.00 C ATOM 21 CD1 PHE C 10 10.865 24.694 -7.227 1.00 0.00 C ATOM 22 CD2 PHE C 10 10.937 22.437 -6.462 1.00 0.00 C ATOM 23 CE1 PHE C 10 9.805 24.381 -8.052 1.00 0.00 C ATOM 24 CE2 PHE C 10 9.877 22.124 -7.288 1.00 0.00 C ATOM 25 CZ PHE C 10 9.311 23.095 -8.083 1.00 0.00 C ATOM 0 H PHE C 10 13.716 26.039 -6.700 1.00 0.00 H new ATOM 0 HA PHE C 10 11.426 25.747 -4.855 1.00 0.00 H new ATOM 0 HB2 PHE C 10 13.556 23.940 -6.040 1.00 0.00 H new ATOM 0 HB3 PHE C 10 12.633 23.404 -4.650 1.00 0.00 H new ATOM 0 HD1 PHE C 10 11.249 25.703 -7.207 1.00 0.00 H new ATOM 0 HD2 PHE C 10 11.377 21.671 -5.840 1.00 0.00 H new ATOM 0 HE1 PHE C 10 9.362 25.144 -8.674 1.00 0.00 H new ATOM 0 HE2 PHE C 10 9.491 21.116 -7.311 1.00 0.00 H new ATOM 0 HZ PHE C 10 8.482 22.849 -8.730 1.00 0.00 H new ATOM 35 N VAL C 11 12.772 25.236 -2.648 1.00 0.00 N ATOM 36 CA VAL C 11 13.502 25.400 -1.359 1.00 0.00 C ATOM 37 C VAL C 11 13.287 24.161 -0.487 1.00 0.00 C ATOM 38 O VAL C 11 12.188 23.663 -0.363 1.00 0.00 O ATOM 39 CB VAL C 11 12.970 26.634 -0.631 1.00 0.00 C ATOM 40 CG1 VAL C 11 13.857 26.933 0.579 1.00 0.00 C ATOM 41 CG2 VAL C 11 12.982 27.830 -1.584 1.00 0.00 C ATOM 0 H VAL C 11 11.888 24.731 -2.586 1.00 0.00 H new ATOM 0 HA VAL C 11 14.567 25.522 -1.556 1.00 0.00 H new ATOM 0 HB VAL C 11 11.950 26.449 -0.295 1.00 0.00 H new ATOM 0 HG11 VAL C 11 13.478 27.813 1.099 1.00 0.00 H new ATOM 0 HG12 VAL C 11 13.848 26.079 1.257 1.00 0.00 H new ATOM 0 HG13 VAL C 11 14.877 27.120 0.245 1.00 0.00 H new ATOM 0 HG21 VAL C 11 12.603 28.711 -1.067 1.00 0.00 H new ATOM 0 HG22 VAL C 11 14.002 28.017 -1.920 1.00 0.00 H new ATOM 0 HG23 VAL C 11 12.350 27.615 -2.446 1.00 0.00 H new ATOM 51 N ALA C 12 14.330 23.665 0.123 1.00 0.00 N ATOM 52 CA ALA C 12 14.188 22.459 0.986 1.00 0.00 C ATOM 53 C ALA C 12 13.423 22.819 2.263 1.00 0.00 C ATOM 54 O ALA C 12 14.006 23.106 3.289 1.00 0.00 O ATOM 55 CB ALA C 12 15.574 21.932 1.358 1.00 0.00 C ATOM 0 H ALA C 12 15.275 24.044 0.060 1.00 0.00 H new ATOM 0 HA ALA C 12 13.638 21.692 0.441 1.00 0.00 H new ATOM 0 HB1 ALA C 12 15.470 21.050 1.989 1.00 0.00 H new ATOM 0 HB2 ALA C 12 16.118 21.667 0.451 1.00 0.00 H new ATOM 0 HB3 ALA C 12 16.123 22.703 1.899 1.00 0.00 H new ATOM 61 N LEU C 13 12.119 22.807 2.206 1.00 0.00 N ATOM 62 CA LEU C 13 11.313 23.147 3.413 1.00 0.00 C ATOM 63 C LEU C 13 11.822 22.352 4.615 1.00 0.00 C ATOM 64 O LEU C 13 12.217 22.909 5.620 1.00 0.00 O ATOM 65 CB LEU C 13 9.848 22.782 3.175 1.00 0.00 C ATOM 66 CG LEU C 13 9.341 23.469 1.908 1.00 0.00 C ATOM 67 CD1 LEU C 13 7.860 23.139 1.719 1.00 0.00 C ATOM 68 CD2 LEU C 13 9.515 24.983 2.043 1.00 0.00 C ATOM 0 H LEU C 13 11.576 22.576 1.374 1.00 0.00 H new ATOM 0 HA LEU C 13 11.405 24.216 3.607 1.00 0.00 H new ATOM 0 HB2 LEU C 13 9.744 21.701 3.080 1.00 0.00 H new ATOM 0 HB3 LEU C 13 9.245 23.086 4.030 1.00 0.00 H new ATOM 0 HG LEU C 13 9.909 23.117 1.046 1.00 0.00 H new ATOM 0 HD11 LEU C 13 7.491 23.626 0.816 1.00 0.00 H new ATOM 0 HD12 LEU C 13 7.737 22.060 1.625 1.00 0.00 H new ATOM 0 HD13 LEU C 13 7.295 23.495 2.580 1.00 0.00 H new ATOM 0 HD21 LEU C 13 9.153 25.473 1.139 1.00 0.00 H new ATOM 0 HD22 LEU C 13 8.946 25.340 2.901 1.00 0.00 H new ATOM 0 HD23 LEU C 13 10.570 25.217 2.185 1.00 0.00 H new ATOM 80 N TYR C 14 11.815 21.051 4.515 1.00 0.00 N ATOM 81 CA TYR C 14 12.293 20.214 5.651 1.00 0.00 C ATOM 82 C TYR C 14 13.742 19.784 5.411 1.00 0.00 C ATOM 83 O TYR C 14 14.361 20.162 4.436 1.00 0.00 O ATOM 84 CB TYR C 14 11.401 18.972 5.775 1.00 0.00 C ATOM 85 CG TYR C 14 9.935 19.357 5.533 1.00 0.00 C ATOM 86 CD1 TYR C 14 9.513 20.663 5.679 1.00 0.00 C ATOM 87 CD2 TYR C 14 9.018 18.401 5.152 1.00 0.00 C ATOM 88 CE1 TYR C 14 8.199 21.008 5.447 1.00 0.00 C ATOM 89 CE2 TYR C 14 7.701 18.743 4.921 1.00 0.00 C ATOM 90 CZ TYR C 14 7.281 20.050 5.065 1.00 0.00 C ATOM 91 OH TYR C 14 5.965 20.394 4.834 1.00 0.00 O ATOM 0 H TYR C 14 11.499 20.532 3.696 1.00 0.00 H new ATOM 0 HA TYR C 14 12.244 20.795 6.572 1.00 0.00 H new ATOM 0 HB2 TYR C 14 11.712 18.217 5.053 1.00 0.00 H new ATOM 0 HB3 TYR C 14 11.512 18.531 6.766 1.00 0.00 H new ATOM 0 HD1 TYR C 14 10.220 21.423 5.978 1.00 0.00 H new ATOM 0 HD2 TYR C 14 9.333 17.375 5.033 1.00 0.00 H new ATOM 0 HE1 TYR C 14 7.885 22.035 5.565 1.00 0.00 H new ATOM 0 HE2 TYR C 14 6.994 17.982 4.625 1.00 0.00 H new ATOM 0 HH TYR C 14 5.459 19.596 4.573 1.00 0.00 H new ATOM 101 N ASP C 15 14.284 18.995 6.298 1.00 0.00 N ATOM 102 CA ASP C 15 15.692 18.535 6.133 1.00 0.00 C ATOM 103 C ASP C 15 15.757 17.454 5.052 1.00 0.00 C ATOM 104 O ASP C 15 14.755 17.072 4.481 1.00 0.00 O ATOM 105 CB ASP C 15 16.195 17.958 7.459 1.00 0.00 C ATOM 106 CG ASP C 15 17.686 18.267 7.620 1.00 0.00 C ATOM 107 OD1 ASP C 15 17.998 19.316 8.158 1.00 0.00 O ATOM 108 OD2 ASP C 15 18.488 17.450 7.200 1.00 0.00 O ATOM 0 H ASP C 15 13.811 18.648 7.132 1.00 0.00 H new ATOM 0 HA ASP C 15 16.317 19.378 5.839 1.00 0.00 H new ATOM 0 HB2 ASP C 15 15.633 18.385 8.290 1.00 0.00 H new ATOM 0 HB3 ASP C 15 16.032 16.881 7.484 1.00 0.00 H new ATOM 113 N TYR C 16 16.931 16.959 4.768 1.00 0.00 N ATOM 114 CA TYR C 16 17.065 15.904 3.726 1.00 0.00 C ATOM 115 C TYR C 16 18.336 15.095 3.989 1.00 0.00 C ATOM 116 O TYR C 16 19.411 15.444 3.541 1.00 0.00 O ATOM 117 CB TYR C 16 17.146 16.554 2.343 1.00 0.00 C ATOM 118 CG TYR C 16 17.636 15.524 1.320 1.00 0.00 C ATOM 119 CD1 TYR C 16 16.925 14.360 1.103 1.00 0.00 C ATOM 120 CD2 TYR C 16 18.798 15.740 0.609 1.00 0.00 C ATOM 121 CE1 TYR C 16 17.371 13.428 0.188 1.00 0.00 C ATOM 122 CE2 TYR C 16 19.243 14.806 -0.306 1.00 0.00 C ATOM 123 CZ TYR C 16 18.534 13.644 -0.522 1.00 0.00 C ATOM 124 OH TYR C 16 18.981 12.712 -1.436 1.00 0.00 O ATOM 0 H TYR C 16 17.804 17.241 5.214 1.00 0.00 H new ATOM 0 HA TYR C 16 16.198 15.244 3.761 1.00 0.00 H new ATOM 0 HB2 TYR C 16 16.167 16.935 2.051 1.00 0.00 H new ATOM 0 HB3 TYR C 16 17.825 17.407 2.370 1.00 0.00 H new ATOM 0 HD1 TYR C 16 16.014 14.178 1.653 1.00 0.00 H new ATOM 0 HD2 TYR C 16 19.364 16.646 0.769 1.00 0.00 H new ATOM 0 HE1 TYR C 16 16.805 12.522 0.027 1.00 0.00 H new ATOM 0 HE2 TYR C 16 20.154 14.988 -0.857 1.00 0.00 H new ATOM 0 HH TYR C 16 18.807 13.035 -2.345 1.00 0.00 H new ATOM 134 N GLU C 17 18.220 14.017 4.715 1.00 0.00 N ATOM 135 CA GLU C 17 19.416 13.181 5.010 1.00 0.00 C ATOM 136 C GLU C 17 19.486 12.024 4.010 1.00 0.00 C ATOM 137 O GLU C 17 19.219 10.886 4.344 1.00 0.00 O ATOM 138 CB GLU C 17 19.306 12.625 6.433 1.00 0.00 C ATOM 139 CG GLU C 17 20.435 11.624 6.682 1.00 0.00 C ATOM 140 CD GLU C 17 20.636 11.448 8.189 1.00 0.00 C ATOM 141 OE1 GLU C 17 19.643 11.353 8.892 1.00 0.00 O ATOM 142 OE2 GLU C 17 21.779 11.414 8.614 1.00 0.00 O ATOM 0 H GLU C 17 17.346 13.679 5.117 1.00 0.00 H new ATOM 0 HA GLU C 17 20.318 13.787 4.926 1.00 0.00 H new ATOM 0 HB2 GLU C 17 19.361 13.438 7.157 1.00 0.00 H new ATOM 0 HB3 GLU C 17 18.340 12.140 6.571 1.00 0.00 H new ATOM 0 HG2 GLU C 17 20.194 10.666 6.222 1.00 0.00 H new ATOM 0 HG3 GLU C 17 21.357 11.977 6.220 1.00 0.00 H new ATOM 149 N SER C 18 19.841 12.306 2.786 1.00 0.00 N ATOM 150 CA SER C 18 19.928 11.224 1.763 1.00 0.00 C ATOM 151 C SER C 18 20.593 9.990 2.377 1.00 0.00 C ATOM 152 O SER C 18 21.406 10.094 3.273 1.00 0.00 O ATOM 153 CB SER C 18 20.761 11.712 0.575 1.00 0.00 C ATOM 154 OG SER C 18 20.377 11.003 -0.595 1.00 0.00 O ATOM 0 H SER C 18 20.075 13.240 2.449 1.00 0.00 H new ATOM 0 HA SER C 18 18.925 10.965 1.424 1.00 0.00 H new ATOM 0 HB2 SER C 18 20.614 12.782 0.429 1.00 0.00 H new ATOM 0 HB3 SER C 18 21.822 11.560 0.774 1.00 0.00 H new ATOM 0 HG SER C 18 19.656 11.487 -1.049 1.00 0.00 H new ATOM 160 N ARG C 19 20.254 8.822 1.902 1.00 0.00 N ATOM 161 CA ARG C 19 20.869 7.585 2.461 1.00 0.00 C ATOM 162 C ARG C 19 22.117 7.225 1.653 1.00 0.00 C ATOM 163 O ARG C 19 22.938 6.437 2.080 1.00 0.00 O ATOM 164 CB ARG C 19 19.862 6.436 2.383 1.00 0.00 C ATOM 165 CG ARG C 19 18.691 6.718 3.325 1.00 0.00 C ATOM 166 CD ARG C 19 17.586 5.688 3.090 1.00 0.00 C ATOM 167 NE ARG C 19 17.197 5.070 4.390 1.00 0.00 N ATOM 168 CZ ARG C 19 16.440 5.729 5.227 1.00 0.00 C ATOM 169 NH1 ARG C 19 16.023 6.931 4.933 1.00 0.00 N ATOM 170 NH2 ARG C 19 16.101 5.183 6.363 1.00 0.00 N ATOM 0 H ARG C 19 19.579 8.671 1.152 1.00 0.00 H new ATOM 0 HA ARG C 19 21.147 7.755 3.501 1.00 0.00 H new ATOM 0 HB2 ARG C 19 19.501 6.324 1.361 1.00 0.00 H new ATOM 0 HB3 ARG C 19 20.344 5.497 2.656 1.00 0.00 H new ATOM 0 HG2 ARG C 19 19.026 6.677 4.361 1.00 0.00 H new ATOM 0 HG3 ARG C 19 18.307 7.724 3.154 1.00 0.00 H new ATOM 0 HD2 ARG C 19 16.721 6.165 2.629 1.00 0.00 H new ATOM 0 HD3 ARG C 19 17.932 4.919 2.399 1.00 0.00 H new ATOM 0 HE ARG C 19 17.522 4.132 4.626 1.00 0.00 H new ATOM 0 HH11 ARG C 19 16.288 7.360 4.046 1.00 0.00 H new ATOM 0 HH12 ARG C 19 15.432 7.441 5.590 1.00 0.00 H new ATOM 0 HH21 ARG C 19 16.427 4.245 6.595 1.00 0.00 H new ATOM 0 HH22 ARG C 19 15.510 5.695 7.019 1.00 0.00 H new ATOM 184 N THR C 20 22.267 7.796 0.489 1.00 0.00 N ATOM 185 CA THR C 20 23.463 7.486 -0.344 1.00 0.00 C ATOM 186 C THR C 20 24.496 8.605 -0.194 1.00 0.00 C ATOM 187 O THR C 20 24.182 9.701 0.228 1.00 0.00 O ATOM 188 CB THR C 20 23.046 7.374 -1.812 1.00 0.00 C ATOM 189 OG1 THR C 20 21.941 8.233 -2.055 1.00 0.00 O ATOM 190 CG2 THR C 20 22.649 5.930 -2.123 1.00 0.00 C ATOM 0 H THR C 20 21.613 8.463 0.079 1.00 0.00 H new ATOM 0 HA THR C 20 23.899 6.543 -0.015 1.00 0.00 H new ATOM 0 HB THR C 20 23.881 7.664 -2.450 1.00 0.00 H new ATOM 0 HG1 THR C 20 22.256 9.060 -2.476 1.00 0.00 H new ATOM 0 HG21 THR C 20 22.352 5.851 -3.169 1.00 0.00 H new ATOM 0 HG22 THR C 20 23.497 5.271 -1.936 1.00 0.00 H new ATOM 0 HG23 THR C 20 21.814 5.637 -1.486 1.00 0.00 H new ATOM 198 N GLU C 21 25.727 8.340 -0.537 1.00 0.00 N ATOM 199 CA GLU C 21 26.778 9.387 -0.414 1.00 0.00 C ATOM 200 C GLU C 21 26.859 10.186 -1.717 1.00 0.00 C ATOM 201 O GLU C 21 27.849 10.829 -2.003 1.00 0.00 O ATOM 202 CB GLU C 21 28.129 8.725 -0.135 1.00 0.00 C ATOM 203 CG GLU C 21 28.872 9.515 0.945 1.00 0.00 C ATOM 204 CD GLU C 21 29.696 8.554 1.805 1.00 0.00 C ATOM 205 OE1 GLU C 21 29.096 7.775 2.528 1.00 0.00 O ATOM 206 OE2 GLU C 21 30.911 8.613 1.726 1.00 0.00 O ATOM 0 H GLU C 21 26.050 7.442 -0.897 1.00 0.00 H new ATOM 0 HA GLU C 21 26.527 10.058 0.407 1.00 0.00 H new ATOM 0 HB2 GLU C 21 27.981 7.695 0.190 1.00 0.00 H new ATOM 0 HB3 GLU C 21 28.724 8.689 -1.048 1.00 0.00 H new ATOM 0 HG2 GLU C 21 29.524 10.257 0.484 1.00 0.00 H new ATOM 0 HG3 GLU C 21 28.161 10.058 1.567 1.00 0.00 H new ATOM 213 N THR C 22 25.823 10.150 -2.510 1.00 0.00 N ATOM 214 CA THR C 22 25.840 10.907 -3.794 1.00 0.00 C ATOM 215 C THR C 22 25.008 12.181 -3.641 1.00 0.00 C ATOM 216 O THR C 22 25.483 13.275 -3.873 1.00 0.00 O ATOM 217 CB THR C 22 25.244 10.041 -4.908 1.00 0.00 C ATOM 218 OG1 THR C 22 26.053 8.888 -5.093 1.00 0.00 O ATOM 219 CG2 THR C 22 25.193 10.846 -6.207 1.00 0.00 C ATOM 0 H THR C 22 24.966 9.629 -2.324 1.00 0.00 H new ATOM 0 HA THR C 22 26.867 11.168 -4.049 1.00 0.00 H new ATOM 0 HB THR C 22 24.235 9.735 -4.633 1.00 0.00 H new ATOM 0 HG1 THR C 22 25.672 8.332 -5.804 1.00 0.00 H new ATOM 0 HG21 THR C 22 24.769 10.230 -7.000 1.00 0.00 H new ATOM 0 HG22 THR C 22 24.572 11.730 -6.063 1.00 0.00 H new ATOM 0 HG23 THR C 22 26.201 11.152 -6.485 1.00 0.00 H new ATOM 227 N ASP C 23 23.770 12.049 -3.252 1.00 0.00 N ATOM 228 CA ASP C 23 22.911 13.253 -3.085 1.00 0.00 C ATOM 229 C ASP C 23 23.490 14.141 -1.983 1.00 0.00 C ATOM 230 O ASP C 23 24.049 13.662 -1.016 1.00 0.00 O ATOM 231 CB ASP C 23 21.495 12.823 -2.696 1.00 0.00 C ATOM 232 CG ASP C 23 21.129 11.538 -3.441 1.00 0.00 C ATOM 233 OD1 ASP C 23 20.635 11.642 -4.551 1.00 0.00 O ATOM 234 OD2 ASP C 23 21.347 10.474 -2.888 1.00 0.00 O ATOM 0 H ASP C 23 23.317 11.159 -3.043 1.00 0.00 H new ATOM 0 HA ASP C 23 22.878 13.807 -4.023 1.00 0.00 H new ATOM 0 HB2 ASP C 23 21.435 12.661 -1.620 1.00 0.00 H new ATOM 0 HB3 ASP C 23 20.784 13.612 -2.940 1.00 0.00 H new ATOM 239 N LEU C 24 23.362 15.431 -2.120 1.00 0.00 N ATOM 240 CA LEU C 24 23.906 16.348 -1.079 1.00 0.00 C ATOM 241 C LEU C 24 22.836 16.618 -0.026 1.00 0.00 C ATOM 242 O LEU C 24 22.023 17.509 -0.166 1.00 0.00 O ATOM 243 CB LEU C 24 24.329 17.664 -1.726 1.00 0.00 C ATOM 244 CG LEU C 24 25.187 17.362 -2.950 1.00 0.00 C ATOM 245 CD1 LEU C 24 25.523 18.667 -3.671 1.00 0.00 C ATOM 246 CD2 LEU C 24 26.480 16.674 -2.509 1.00 0.00 C ATOM 0 H LEU C 24 22.904 15.890 -2.907 1.00 0.00 H new ATOM 0 HA LEU C 24 24.771 15.884 -0.605 1.00 0.00 H new ATOM 0 HB2 LEU C 24 23.451 18.241 -2.015 1.00 0.00 H new ATOM 0 HB3 LEU C 24 24.889 18.271 -1.014 1.00 0.00 H new ATOM 0 HG LEU C 24 24.639 16.705 -3.625 1.00 0.00 H new ATOM 0 HD11 LEU C 24 26.136 18.452 -4.546 1.00 0.00 H new ATOM 0 HD12 LEU C 24 24.601 19.157 -3.985 1.00 0.00 H new ATOM 0 HD13 LEU C 24 26.071 19.325 -2.996 1.00 0.00 H new ATOM 0 HD21 LEU C 24 27.094 16.458 -3.384 1.00 0.00 H new ATOM 0 HD22 LEU C 24 27.029 17.330 -1.834 1.00 0.00 H new ATOM 0 HD23 LEU C 24 26.240 15.743 -1.995 1.00 0.00 H new ATOM 258 N SER C 25 22.831 15.851 1.022 1.00 0.00 N ATOM 259 CA SER C 25 21.816 16.057 2.092 1.00 0.00 C ATOM 260 C SER C 25 21.687 17.553 2.380 1.00 0.00 C ATOM 261 O SER C 25 22.669 18.259 2.492 1.00 0.00 O ATOM 262 CB SER C 25 22.255 15.330 3.365 1.00 0.00 C ATOM 263 OG SER C 25 23.258 14.377 3.046 1.00 0.00 O ATOM 0 H SER C 25 23.487 15.087 1.187 1.00 0.00 H new ATOM 0 HA SER C 25 20.855 15.660 1.764 1.00 0.00 H new ATOM 0 HB2 SER C 25 22.638 16.047 4.092 1.00 0.00 H new ATOM 0 HB3 SER C 25 21.401 14.834 3.826 1.00 0.00 H new ATOM 0 HG SER C 25 24.130 14.822 3.002 1.00 0.00 H new ATOM 269 N PHE C 26 20.484 18.045 2.501 1.00 0.00 N ATOM 270 CA PHE C 26 20.305 19.497 2.782 1.00 0.00 C ATOM 271 C PHE C 26 19.320 19.677 3.938 1.00 0.00 C ATOM 272 O PHE C 26 18.388 18.914 4.096 1.00 0.00 O ATOM 273 CB PHE C 26 19.766 20.206 1.536 1.00 0.00 C ATOM 274 CG PHE C 26 18.502 19.505 1.044 1.00 0.00 C ATOM 275 CD1 PHE C 26 17.303 19.714 1.692 1.00 0.00 C ATOM 276 CD2 PHE C 26 18.537 18.674 -0.061 1.00 0.00 C ATOM 277 CE1 PHE C 26 16.150 19.102 1.247 1.00 0.00 C ATOM 278 CE2 PHE C 26 17.383 18.060 -0.510 1.00 0.00 C ATOM 279 CZ PHE C 26 16.191 18.275 0.145 1.00 0.00 C ATOM 0 H PHE C 26 19.621 17.507 2.418 1.00 0.00 H new ATOM 0 HA PHE C 26 21.268 19.930 3.053 1.00 0.00 H new ATOM 0 HB2 PHE C 26 19.548 21.249 1.766 1.00 0.00 H new ATOM 0 HB3 PHE C 26 20.522 20.205 0.751 1.00 0.00 H new ATOM 0 HD1 PHE C 26 17.266 20.362 2.555 1.00 0.00 H new ATOM 0 HD2 PHE C 26 19.471 18.504 -0.576 1.00 0.00 H new ATOM 0 HE1 PHE C 26 15.216 19.271 1.762 1.00 0.00 H new ATOM 0 HE2 PHE C 26 17.416 17.412 -1.374 1.00 0.00 H new ATOM 0 HZ PHE C 26 15.288 17.796 -0.205 1.00 0.00 H new ATOM 289 N LYS C 27 19.520 20.681 4.747 1.00 0.00 N ATOM 290 CA LYS C 27 18.598 20.910 5.893 1.00 0.00 C ATOM 291 C LYS C 27 17.609 22.023 5.540 1.00 0.00 C ATOM 292 O LYS C 27 17.686 22.626 4.489 1.00 0.00 O ATOM 293 CB LYS C 27 19.406 21.318 7.125 1.00 0.00 C ATOM 294 CG LYS C 27 20.460 20.249 7.421 1.00 0.00 C ATOM 295 CD LYS C 27 21.856 20.845 7.243 1.00 0.00 C ATOM 296 CE LYS C 27 22.262 21.580 8.522 1.00 0.00 C ATOM 297 NZ LYS C 27 22.611 22.991 8.194 1.00 0.00 N ATOM 0 H LYS C 27 20.283 21.353 4.663 1.00 0.00 H new ATOM 0 HA LYS C 27 18.050 19.992 6.106 1.00 0.00 H new ATOM 0 HB2 LYS C 27 19.887 22.281 6.955 1.00 0.00 H new ATOM 0 HB3 LYS C 27 18.745 21.439 7.983 1.00 0.00 H new ATOM 0 HG2 LYS C 27 20.339 19.876 8.438 1.00 0.00 H new ATOM 0 HG3 LYS C 27 20.328 19.398 6.752 1.00 0.00 H new ATOM 0 HD2 LYS C 27 22.574 20.056 7.020 1.00 0.00 H new ATOM 0 HD3 LYS C 27 21.865 21.532 6.397 1.00 0.00 H new ATOM 0 HE2 LYS C 27 21.446 21.554 9.244 1.00 0.00 H new ATOM 0 HE3 LYS C 27 23.113 21.082 8.986 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 22.887 23.491 9.063 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 23.403 23.005 7.520 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 21.787 23.463 7.770 1.00 0.00 H new ATOM 311 N LYS C 28 16.679 22.298 6.413 1.00 0.00 N ATOM 312 CA LYS C 28 15.684 23.370 6.132 1.00 0.00 C ATOM 313 C LYS C 28 16.395 24.724 6.068 1.00 0.00 C ATOM 314 O LYS C 28 17.175 25.067 6.934 1.00 0.00 O ATOM 315 CB LYS C 28 14.636 23.395 7.247 1.00 0.00 C ATOM 316 CG LYS C 28 13.788 24.663 7.123 1.00 0.00 C ATOM 317 CD LYS C 28 12.519 24.509 7.963 1.00 0.00 C ATOM 318 CE LYS C 28 12.823 24.882 9.416 1.00 0.00 C ATOM 319 NZ LYS C 28 11.561 24.864 10.208 1.00 0.00 N ATOM 0 H LYS C 28 16.566 21.826 7.310 1.00 0.00 H new ATOM 0 HA LYS C 28 15.196 23.173 5.178 1.00 0.00 H new ATOM 0 HB2 LYS C 28 14.000 22.512 7.183 1.00 0.00 H new ATOM 0 HB3 LYS C 28 15.125 23.366 8.221 1.00 0.00 H new ATOM 0 HG2 LYS C 28 14.358 25.529 7.460 1.00 0.00 H new ATOM 0 HG3 LYS C 28 13.528 24.839 6.079 1.00 0.00 H new ATOM 0 HD2 LYS C 28 11.729 25.149 7.569 1.00 0.00 H new ATOM 0 HD3 LYS C 28 12.155 23.483 7.908 1.00 0.00 H new ATOM 0 HE2 LYS C 28 13.541 24.180 9.840 1.00 0.00 H new ATOM 0 HE3 LYS C 28 13.279 25.871 9.461 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 11.767 25.117 11.195 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 10.890 25.550 9.807 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 11.144 23.912 10.175 1.00 0.00 H new ATOM 333 N GLY C 29 16.132 25.495 5.048 1.00 0.00 N ATOM 334 CA GLY C 29 16.794 26.826 4.931 1.00 0.00 C ATOM 335 C GLY C 29 17.709 26.832 3.705 1.00 0.00 C ATOM 336 O GLY C 29 18.136 27.871 3.242 1.00 0.00 O ATOM 0 H GLY C 29 15.489 25.262 4.292 1.00 0.00 H new ATOM 0 HA2 GLY C 29 16.043 27.611 4.842 1.00 0.00 H new ATOM 0 HA3 GLY C 29 17.372 27.038 5.831 1.00 0.00 H new ATOM 340 N GLU C 30 18.014 25.679 3.175 1.00 0.00 N ATOM 341 CA GLU C 30 18.902 25.620 1.981 1.00 0.00 C ATOM 342 C GLU C 30 18.051 25.706 0.712 1.00 0.00 C ATOM 343 O GLU C 30 17.254 24.833 0.429 1.00 0.00 O ATOM 344 CB GLU C 30 19.679 24.303 1.987 1.00 0.00 C ATOM 345 CG GLU C 30 20.527 24.206 0.716 1.00 0.00 C ATOM 346 CD GLU C 30 21.972 24.594 1.037 1.00 0.00 C ATOM 347 OE1 GLU C 30 22.518 24.041 1.979 1.00 0.00 O ATOM 348 OE2 GLU C 30 22.508 25.435 0.336 1.00 0.00 O ATOM 0 H GLU C 30 17.686 24.776 3.518 1.00 0.00 H new ATOM 0 HA GLU C 30 19.604 26.454 2.007 1.00 0.00 H new ATOM 0 HB2 GLU C 30 20.318 24.249 2.868 1.00 0.00 H new ATOM 0 HB3 GLU C 30 18.989 23.461 2.042 1.00 0.00 H new ATOM 0 HG2 GLU C 30 20.491 23.192 0.318 1.00 0.00 H new ATOM 0 HG3 GLU C 30 20.125 24.865 -0.054 1.00 0.00 H new ATOM 355 N ARG C 31 18.215 26.749 -0.054 1.00 0.00 N ATOM 356 CA ARG C 31 17.416 26.889 -1.303 1.00 0.00 C ATOM 357 C ARG C 31 18.198 26.294 -2.477 1.00 0.00 C ATOM 358 O ARG C 31 19.411 26.346 -2.517 1.00 0.00 O ATOM 359 CB ARG C 31 17.141 28.370 -1.568 1.00 0.00 C ATOM 360 CG ARG C 31 16.743 29.054 -0.257 1.00 0.00 C ATOM 361 CD ARG C 31 17.796 30.102 0.111 1.00 0.00 C ATOM 362 NE ARG C 31 17.367 31.436 -0.395 1.00 0.00 N ATOM 363 CZ ARG C 31 18.081 32.498 -0.133 1.00 0.00 C ATOM 364 NH1 ARG C 31 19.175 32.396 0.574 1.00 0.00 N ATOM 365 NH2 ARG C 31 17.701 33.664 -0.578 1.00 0.00 N ATOM 0 H ARG C 31 18.868 27.510 0.131 1.00 0.00 H new ATOM 0 HA ARG C 31 16.470 26.359 -1.192 1.00 0.00 H new ATOM 0 HB2 ARG C 31 18.028 28.847 -1.986 1.00 0.00 H new ATOM 0 HB3 ARG C 31 16.344 28.478 -2.304 1.00 0.00 H new ATOM 0 HG2 ARG C 31 15.766 29.526 -0.362 1.00 0.00 H new ATOM 0 HG3 ARG C 31 16.656 28.315 0.539 1.00 0.00 H new ATOM 0 HD2 ARG C 31 17.928 30.137 1.192 1.00 0.00 H new ATOM 0 HD3 ARG C 31 18.760 29.831 -0.319 1.00 0.00 H new ATOM 0 HE ARG C 31 16.514 31.520 -0.947 1.00 0.00 H new ATOM 0 HH11 ARG C 31 19.474 31.485 0.923 1.00 0.00 H new ATOM 0 HH12 ARG C 31 19.730 33.227 0.777 1.00 0.00 H new ATOM 0 HH21 ARG C 31 16.847 33.746 -1.130 1.00 0.00 H new ATOM 0 HH22 ARG C 31 18.258 34.494 -0.374 1.00 0.00 H new ATOM 379 N LEU C 32 17.513 25.730 -3.435 1.00 0.00 N ATOM 380 CA LEU C 32 18.221 25.134 -4.602 1.00 0.00 C ATOM 381 C LEU C 32 17.395 25.350 -5.870 1.00 0.00 C ATOM 382 O LEU C 32 16.204 25.580 -5.816 1.00 0.00 O ATOM 383 CB LEU C 32 18.411 23.634 -4.372 1.00 0.00 C ATOM 384 CG LEU C 32 18.794 23.383 -2.912 1.00 0.00 C ATOM 385 CD1 LEU C 32 17.526 23.157 -2.084 1.00 0.00 C ATOM 386 CD2 LEU C 32 19.686 22.144 -2.826 1.00 0.00 C ATOM 0 H LEU C 32 16.496 25.657 -3.459 1.00 0.00 H new ATOM 0 HA LEU C 32 19.193 25.613 -4.716 1.00 0.00 H new ATOM 0 HB2 LEU C 32 17.493 23.099 -4.615 1.00 0.00 H new ATOM 0 HB3 LEU C 32 19.188 23.250 -5.033 1.00 0.00 H new ATOM 0 HG LEU C 32 19.333 24.247 -2.523 1.00 0.00 H new ATOM 0 HD11 LEU C 32 17.798 22.978 -1.044 1.00 0.00 H new ATOM 0 HD12 LEU C 32 16.889 24.039 -2.146 1.00 0.00 H new ATOM 0 HD13 LEU C 32 16.987 22.293 -2.472 1.00 0.00 H new ATOM 0 HD21 LEU C 32 19.960 21.964 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU C 32 19.147 21.280 -3.214 1.00 0.00 H new ATOM 0 HD23 LEU C 32 20.588 22.304 -3.416 1.00 0.00 H new ATOM 398 N GLN C 33 18.020 25.277 -7.013 1.00 0.00 N ATOM 399 CA GLN C 33 17.272 25.477 -8.286 1.00 0.00 C ATOM 400 C GLN C 33 16.945 24.112 -8.896 1.00 0.00 C ATOM 401 O GLN C 33 17.820 23.302 -9.131 1.00 0.00 O ATOM 402 CB GLN C 33 18.131 26.281 -9.264 1.00 0.00 C ATOM 403 CG GLN C 33 18.974 27.294 -8.488 1.00 0.00 C ATOM 404 CD GLN C 33 19.812 28.115 -9.469 1.00 0.00 C ATOM 405 OE1 GLN C 33 21.026 28.097 -9.415 1.00 0.00 O ATOM 406 NE2 GLN C 33 19.211 28.841 -10.372 1.00 0.00 N ATOM 0 H GLN C 33 19.016 25.087 -7.120 1.00 0.00 H new ATOM 0 HA GLN C 33 16.349 26.021 -8.087 1.00 0.00 H new ATOM 0 HB2 GLN C 33 18.778 25.612 -9.831 1.00 0.00 H new ATOM 0 HB3 GLN C 33 17.495 26.796 -9.984 1.00 0.00 H new ATOM 0 HG2 GLN C 33 18.328 27.951 -7.906 1.00 0.00 H new ATOM 0 HG3 GLN C 33 19.624 26.778 -7.781 1.00 0.00 H new ATOM 0 HE21 GLN C 33 18.192 28.857 -10.418 1.00 0.00 H new ATOM 0 HE22 GLN C 33 19.760 29.392 -11.031 1.00 0.00 H new ATOM 415 N ILE C 34 15.693 23.849 -9.153 1.00 0.00 N ATOM 416 CA ILE C 34 15.316 22.536 -9.748 1.00 0.00 C ATOM 417 C ILE C 34 15.908 22.422 -11.153 1.00 0.00 C ATOM 418 O ILE C 34 15.845 23.344 -11.942 1.00 0.00 O ATOM 419 CB ILE C 34 13.794 22.428 -9.823 1.00 0.00 C ATOM 420 CG1 ILE C 34 13.216 22.388 -8.407 1.00 0.00 C ATOM 421 CG2 ILE C 34 13.411 21.144 -10.566 1.00 0.00 C ATOM 422 CD1 ILE C 34 13.925 21.299 -7.599 1.00 0.00 C ATOM 0 H ILE C 34 14.916 24.486 -8.977 1.00 0.00 H new ATOM 0 HA ILE C 34 15.706 21.731 -9.126 1.00 0.00 H new ATOM 0 HB ILE C 34 13.393 23.291 -10.355 1.00 0.00 H new ATOM 0 HG12 ILE C 34 13.343 23.356 -7.923 1.00 0.00 H new ATOM 0 HG13 ILE C 34 12.145 22.189 -8.445 1.00 0.00 H new ATOM 0 HG21 ILE C 34 12.325 21.065 -10.620 1.00 0.00 H new ATOM 0 HG22 ILE C 34 13.824 21.170 -11.574 1.00 0.00 H new ATOM 0 HG23 ILE C 34 13.811 20.282 -10.032 1.00 0.00 H new ATOM 0 HD11 ILE C 34 13.514 21.269 -6.590 1.00 0.00 H new ATOM 0 HD12 ILE C 34 13.775 20.333 -8.081 1.00 0.00 H new ATOM 0 HD13 ILE C 34 14.992 21.518 -7.550 1.00 0.00 H new ATOM 434 N VAL C 35 16.483 21.294 -11.472 1.00 0.00 N ATOM 435 CA VAL C 35 17.080 21.115 -12.824 1.00 0.00 C ATOM 436 C VAL C 35 16.151 20.261 -13.685 1.00 0.00 C ATOM 437 O VAL C 35 15.542 20.736 -14.624 1.00 0.00 O ATOM 438 CB VAL C 35 18.435 20.416 -12.693 1.00 0.00 C ATOM 439 CG1 VAL C 35 18.986 20.110 -14.087 1.00 0.00 C ATOM 440 CG2 VAL C 35 19.411 21.329 -11.946 1.00 0.00 C ATOM 0 H VAL C 35 16.565 20.488 -10.852 1.00 0.00 H new ATOM 0 HA VAL C 35 17.215 22.090 -13.292 1.00 0.00 H new ATOM 0 HB VAL C 35 18.313 19.486 -12.138 1.00 0.00 H new ATOM 0 HG11 VAL C 35 19.951 19.612 -13.995 1.00 0.00 H new ATOM 0 HG12 VAL C 35 18.291 19.460 -14.618 1.00 0.00 H new ATOM 0 HG13 VAL C 35 19.109 21.040 -14.642 1.00 0.00 H new ATOM 0 HG21 VAL C 35 20.376 20.831 -11.853 1.00 0.00 H new ATOM 0 HG22 VAL C 35 19.535 22.260 -12.500 1.00 0.00 H new ATOM 0 HG23 VAL C 35 19.018 21.547 -10.953 1.00 0.00 H new ATOM 450 N ASN C 36 16.037 19.003 -13.371 1.00 0.00 N ATOM 451 CA ASN C 36 15.148 18.109 -14.167 1.00 0.00 C ATOM 452 C ASN C 36 13.808 17.943 -13.447 1.00 0.00 C ATOM 453 O ASN C 36 13.711 18.116 -12.248 1.00 0.00 O ATOM 454 CB ASN C 36 15.816 16.741 -14.330 1.00 0.00 C ATOM 455 CG ASN C 36 14.818 15.754 -14.942 1.00 0.00 C ATOM 456 OD1 ASN C 36 14.446 15.883 -16.092 1.00 0.00 O ATOM 457 ND2 ASN C 36 14.369 14.766 -14.217 1.00 0.00 N ATOM 0 H ASN C 36 16.522 18.552 -12.595 1.00 0.00 H new ATOM 0 HA ASN C 36 14.976 18.549 -15.149 1.00 0.00 H new ATOM 0 HB2 ASN C 36 16.695 16.828 -14.968 1.00 0.00 H new ATOM 0 HB3 ASN C 36 16.159 16.375 -13.362 1.00 0.00 H new ATOM 0 HD21 ASN C 36 13.706 14.102 -14.615 1.00 0.00 H new ATOM 0 HD22 ASN C 36 14.682 14.658 -13.252 1.00 0.00 H new ATOM 464 N ASN C 37 12.774 17.607 -14.169 1.00 0.00 N ATOM 465 CA ASN C 37 11.441 17.431 -13.525 1.00 0.00 C ATOM 466 C ASN C 37 10.614 16.425 -14.328 1.00 0.00 C ATOM 467 O ASN C 37 9.455 16.648 -14.617 1.00 0.00 O ATOM 468 CB ASN C 37 10.710 18.775 -13.489 1.00 0.00 C ATOM 469 CG ASN C 37 10.918 19.505 -14.818 1.00 0.00 C ATOM 470 OD1 ASN C 37 11.490 18.959 -15.740 1.00 0.00 O ATOM 471 ND2 ASN C 37 10.473 20.723 -14.956 1.00 0.00 N ATOM 0 H ASN C 37 12.794 17.447 -15.176 1.00 0.00 H new ATOM 0 HA ASN C 37 11.576 17.062 -12.508 1.00 0.00 H new ATOM 0 HB2 ASN C 37 9.646 18.618 -13.311 1.00 0.00 H new ATOM 0 HB3 ASN C 37 11.085 19.383 -12.665 1.00 0.00 H new ATOM 0 HD21 ASN C 37 10.605 21.217 -15.838 1.00 0.00 H new ATOM 0 HD22 ASN C 37 9.993 21.181 -14.182 1.00 0.00 H new ATOM 478 N THR C 38 11.199 15.316 -14.693 1.00 0.00 N ATOM 479 CA THR C 38 10.446 14.297 -15.476 1.00 0.00 C ATOM 480 C THR C 38 10.811 12.898 -14.976 1.00 0.00 C ATOM 481 O THR C 38 10.494 11.903 -15.597 1.00 0.00 O ATOM 482 CB THR C 38 10.808 14.420 -16.959 1.00 0.00 C ATOM 483 OG1 THR C 38 9.948 13.587 -17.726 1.00 0.00 O ATOM 484 CG2 THR C 38 12.260 13.990 -17.169 1.00 0.00 C ATOM 0 H THR C 38 12.167 15.072 -14.482 1.00 0.00 H new ATOM 0 HA THR C 38 9.376 14.461 -15.350 1.00 0.00 H new ATOM 0 HB THR C 38 10.689 15.456 -17.278 1.00 0.00 H new ATOM 0 HG1 THR C 38 9.823 12.732 -17.264 1.00 0.00 H new ATOM 0 HG21 THR C 38 12.516 14.078 -18.225 1.00 0.00 H new ATOM 0 HG22 THR C 38 12.918 14.630 -16.581 1.00 0.00 H new ATOM 0 HG23 THR C 38 12.382 12.955 -16.851 1.00 0.00 H new ATOM 492 N GLU C 39 11.475 12.814 -13.856 1.00 0.00 N ATOM 493 CA GLU C 39 11.861 11.481 -13.317 1.00 0.00 C ATOM 494 C GLU C 39 10.687 10.891 -12.534 1.00 0.00 C ATOM 495 O GLU C 39 9.958 10.053 -13.027 1.00 0.00 O ATOM 496 CB GLU C 39 13.068 11.634 -12.388 1.00 0.00 C ATOM 497 CG GLU C 39 14.260 10.875 -12.972 1.00 0.00 C ATOM 498 CD GLU C 39 14.915 11.717 -14.069 1.00 0.00 C ATOM 499 OE1 GLU C 39 14.421 11.690 -15.184 1.00 0.00 O ATOM 500 OE2 GLU C 39 15.900 12.375 -13.775 1.00 0.00 O ATOM 0 H GLU C 39 11.767 13.612 -13.291 1.00 0.00 H new ATOM 0 HA GLU C 39 12.121 10.817 -14.141 1.00 0.00 H new ATOM 0 HB2 GLU C 39 13.317 12.688 -12.269 1.00 0.00 H new ATOM 0 HB3 GLU C 39 12.829 11.249 -11.397 1.00 0.00 H new ATOM 0 HG2 GLU C 39 14.984 10.655 -12.187 1.00 0.00 H new ATOM 0 HG3 GLU C 39 13.931 9.919 -13.380 1.00 0.00 H new ATOM 507 N GLY C 40 10.503 11.320 -11.319 1.00 0.00 N ATOM 508 CA GLY C 40 9.376 10.786 -10.502 1.00 0.00 C ATOM 509 C GLY C 40 9.366 11.473 -9.134 1.00 0.00 C ATOM 510 O GLY C 40 8.883 12.578 -8.987 1.00 0.00 O ATOM 0 H GLY C 40 11.084 12.018 -10.854 1.00 0.00 H new ATOM 0 HA2 GLY C 40 8.429 10.957 -11.014 1.00 0.00 H new ATOM 0 HA3 GLY C 40 9.481 9.708 -10.379 1.00 0.00 H new ATOM 514 N ASP C 41 9.895 10.825 -8.132 1.00 0.00 N ATOM 515 CA ASP C 41 9.915 11.438 -6.774 1.00 0.00 C ATOM 516 C ASP C 41 11.349 11.840 -6.418 1.00 0.00 C ATOM 517 O ASP C 41 11.765 11.748 -5.279 1.00 0.00 O ATOM 518 CB ASP C 41 9.396 10.426 -5.750 1.00 0.00 C ATOM 519 CG ASP C 41 7.923 10.709 -5.452 1.00 0.00 C ATOM 520 OD1 ASP C 41 7.639 11.771 -4.921 1.00 0.00 O ATOM 521 OD2 ASP C 41 7.102 9.861 -5.759 1.00 0.00 O ATOM 0 H ASP C 41 10.314 9.897 -8.195 1.00 0.00 H new ATOM 0 HA ASP C 41 9.278 12.322 -6.763 1.00 0.00 H new ATOM 0 HB2 ASP C 41 9.512 9.413 -6.134 1.00 0.00 H new ATOM 0 HB3 ASP C 41 9.982 10.488 -4.833 1.00 0.00 H new ATOM 526 N TRP C 42 12.107 12.285 -7.382 1.00 0.00 N ATOM 527 CA TRP C 42 13.512 12.693 -7.100 1.00 0.00 C ATOM 528 C TRP C 42 14.002 13.631 -8.205 1.00 0.00 C ATOM 529 O TRP C 42 13.936 13.314 -9.375 1.00 0.00 O ATOM 530 CB TRP C 42 14.404 11.449 -7.052 1.00 0.00 C ATOM 531 CG TRP C 42 14.125 10.675 -5.763 1.00 0.00 C ATOM 532 CD1 TRP C 42 13.274 9.642 -5.652 1.00 0.00 C ATOM 533 CD2 TRP C 42 14.687 10.931 -4.584 1.00 0.00 C ATOM 534 NE1 TRP C 42 13.359 9.303 -4.365 1.00 0.00 N ATOM 535 CE2 TRP C 42 14.215 10.053 -3.626 1.00 0.00 C ATOM 536 CE3 TRP C 42 15.612 11.895 -4.239 1.00 0.00 C ATOM 537 CZ2 TRP C 42 14.670 10.141 -2.327 1.00 0.00 C ATOM 538 CZ3 TRP C 42 16.067 11.982 -2.938 1.00 0.00 C ATOM 539 CH2 TRP C 42 15.596 11.106 -1.983 1.00 0.00 C ATOM 0 H TRP C 42 11.814 12.384 -8.354 1.00 0.00 H new ATOM 0 HA TRP C 42 13.556 13.209 -6.141 1.00 0.00 H new ATOM 0 HB2 TRP C 42 14.212 10.816 -7.918 1.00 0.00 H new ATOM 0 HB3 TRP C 42 15.454 11.739 -7.096 1.00 0.00 H new ATOM 0 HD1 TRP C 42 12.665 9.192 -6.422 1.00 0.00 H new ATOM 0 HE1 TRP C 42 12.819 8.535 -3.965 1.00 0.00 H new ATOM 0 HE3 TRP C 42 15.980 12.582 -4.987 1.00 0.00 H new ATOM 0 HZ2 TRP C 42 14.302 9.455 -1.579 1.00 0.00 H new ATOM 0 HZ3 TRP C 42 16.792 12.736 -2.669 1.00 0.00 H new ATOM 0 HH2 TRP C 42 15.951 11.175 -0.965 1.00 0.00 H new ATOM 550 N TRP C 43 14.493 14.786 -7.843 1.00 0.00 N ATOM 551 CA TRP C 43 14.984 15.742 -8.876 1.00 0.00 C ATOM 552 C TRP C 43 16.406 16.187 -8.528 1.00 0.00 C ATOM 553 O TRP C 43 16.879 15.992 -7.425 1.00 0.00 O ATOM 554 CB TRP C 43 14.070 16.968 -8.920 1.00 0.00 C ATOM 555 CG TRP C 43 12.629 16.530 -9.189 1.00 0.00 C ATOM 556 CD1 TRP C 43 12.264 15.565 -10.051 1.00 0.00 C ATOM 557 CD2 TRP C 43 11.550 17.056 -8.613 1.00 0.00 C ATOM 558 NE1 TRP C 43 10.933 15.548 -9.958 1.00 0.00 N ATOM 559 CE2 TRP C 43 10.405 16.443 -9.085 1.00 0.00 C ATOM 560 CE3 TRP C 43 11.455 18.064 -7.673 1.00 0.00 C ATOM 561 CZ2 TRP C 43 9.168 16.838 -8.618 1.00 0.00 C ATOM 562 CZ3 TRP C 43 10.217 18.458 -7.207 1.00 0.00 C ATOM 563 CH2 TRP C 43 9.074 17.846 -7.680 1.00 0.00 C ATOM 0 H TRP C 43 14.575 15.108 -6.879 1.00 0.00 H new ATOM 0 HA TRP C 43 14.981 15.250 -9.849 1.00 0.00 H new ATOM 0 HB2 TRP C 43 14.125 17.508 -7.975 1.00 0.00 H new ATOM 0 HB3 TRP C 43 14.403 17.654 -9.699 1.00 0.00 H new ATOM 0 HD1 TRP C 43 12.898 14.949 -10.672 1.00 0.00 H new ATOM 0 HE1 TRP C 43 10.355 14.909 -10.503 1.00 0.00 H new ATOM 0 HE3 TRP C 43 12.349 18.544 -7.303 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 8.273 16.358 -8.987 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 10.143 19.246 -6.472 1.00 0.00 H new ATOM 0 HH2 TRP C 43 8.106 18.156 -7.316 1.00 0.00 H new ATOM 574 N LEU C 44 17.088 16.793 -9.461 1.00 0.00 N ATOM 575 CA LEU C 44 18.477 17.254 -9.189 1.00 0.00 C ATOM 576 C LEU C 44 18.489 18.781 -9.117 1.00 0.00 C ATOM 577 O LEU C 44 18.140 19.456 -10.063 1.00 0.00 O ATOM 578 CB LEU C 44 19.402 16.790 -10.314 1.00 0.00 C ATOM 579 CG LEU C 44 20.828 17.271 -10.035 1.00 0.00 C ATOM 580 CD1 LEU C 44 21.821 16.402 -10.808 1.00 0.00 C ATOM 581 CD2 LEU C 44 20.972 18.726 -10.483 1.00 0.00 C ATOM 0 H LEU C 44 16.742 16.989 -10.400 1.00 0.00 H new ATOM 0 HA LEU C 44 18.824 16.836 -8.244 1.00 0.00 H new ATOM 0 HB2 LEU C 44 19.382 15.703 -10.390 1.00 0.00 H new ATOM 0 HB3 LEU C 44 19.055 17.183 -11.270 1.00 0.00 H new ATOM 0 HG LEU C 44 21.033 17.196 -8.967 1.00 0.00 H new ATOM 0 HD11 LEU C 44 22.836 16.745 -10.609 1.00 0.00 H new ATOM 0 HD12 LEU C 44 21.720 15.364 -10.491 1.00 0.00 H new ATOM 0 HD13 LEU C 44 21.616 16.477 -11.876 1.00 0.00 H new ATOM 0 HD21 LEU C 44 21.987 19.069 -10.284 1.00 0.00 H new ATOM 0 HD22 LEU C 44 20.766 18.800 -11.551 1.00 0.00 H new ATOM 0 HD23 LEU C 44 20.265 19.348 -9.933 1.00 0.00 H new ATOM 593 N ALA C 45 18.886 19.332 -8.005 1.00 0.00 N ATOM 594 CA ALA C 45 18.913 20.816 -7.889 1.00 0.00 C ATOM 595 C ALA C 45 20.339 21.287 -7.601 1.00 0.00 C ATOM 596 O ALA C 45 21.182 20.528 -7.166 1.00 0.00 O ATOM 597 CB ALA C 45 17.991 21.256 -6.750 1.00 0.00 C ATOM 0 H ALA C 45 19.191 18.823 -7.176 1.00 0.00 H new ATOM 0 HA ALA C 45 18.571 21.256 -8.826 1.00 0.00 H new ATOM 0 HB1 ALA C 45 18.011 22.343 -6.665 1.00 0.00 H new ATOM 0 HB2 ALA C 45 16.973 20.927 -6.958 1.00 0.00 H new ATOM 0 HB3 ALA C 45 18.332 20.813 -5.814 1.00 0.00 H new ATOM 603 N HIS C 46 20.611 22.539 -7.842 1.00 0.00 N ATOM 604 CA HIS C 46 21.978 23.075 -7.588 1.00 0.00 C ATOM 605 C HIS C 46 21.884 24.204 -6.556 1.00 0.00 C ATOM 606 O HIS C 46 21.277 25.229 -6.797 1.00 0.00 O ATOM 607 CB HIS C 46 22.563 23.591 -8.916 1.00 0.00 C ATOM 608 CG HIS C 46 23.490 24.791 -8.681 1.00 0.00 C ATOM 609 ND1 HIS C 46 23.180 26.100 -8.365 1.00 0.00 N flip ATOM 610 CD2 HIS C 46 24.754 24.764 -8.759 1.00 0.00 C flip ATOM 611 CE1 HIS C 46 24.309 26.820 -8.267 1.00 0.00 C flip ATOM 612 NE2 HIS C 46 25.246 25.922 -8.524 1.00 0.00 N flip ATOM 0 H HIS C 46 19.942 23.218 -8.206 1.00 0.00 H new ATOM 0 HA HIS C 46 22.632 22.297 -7.195 1.00 0.00 H new ATOM 0 HB2 HIS C 46 23.116 22.791 -9.409 1.00 0.00 H new ATOM 0 HB3 HIS C 46 21.753 23.879 -9.586 1.00 0.00 H new ATOM 0 HD1 HIS C 46 22.237 26.464 -8.227 1.00 0.00 H new ATOM 0 HD2 HIS C 46 25.336 23.885 -8.992 1.00 0.00 H new ATOM 0 HE1 HIS C 46 24.424 27.869 -8.036 1.00 0.00 H new ATOM 620 N SER C 47 22.477 24.024 -5.408 1.00 0.00 N ATOM 621 CA SER C 47 22.420 25.086 -4.365 1.00 0.00 C ATOM 622 C SER C 47 22.936 26.401 -4.952 1.00 0.00 C ATOM 623 O SER C 47 23.811 26.414 -5.795 1.00 0.00 O ATOM 624 CB SER C 47 23.292 24.684 -3.173 1.00 0.00 C ATOM 625 OG SER C 47 23.358 23.268 -3.092 1.00 0.00 O ATOM 0 H SER C 47 22.999 23.187 -5.147 1.00 0.00 H new ATOM 0 HA SER C 47 21.390 25.212 -4.032 1.00 0.00 H new ATOM 0 HB2 SER C 47 24.293 25.100 -3.285 1.00 0.00 H new ATOM 0 HB3 SER C 47 22.878 25.093 -2.251 1.00 0.00 H new ATOM 0 HG SER C 47 23.918 23.010 -2.330 1.00 0.00 H new ATOM 631 N LEU C 48 22.401 27.508 -4.516 1.00 0.00 N ATOM 632 CA LEU C 48 22.863 28.820 -5.049 1.00 0.00 C ATOM 633 C LEU C 48 23.961 29.384 -4.148 1.00 0.00 C ATOM 634 O LEU C 48 24.178 30.577 -4.088 1.00 0.00 O ATOM 635 CB LEU C 48 21.685 29.796 -5.086 1.00 0.00 C ATOM 636 CG LEU C 48 20.896 29.592 -6.379 1.00 0.00 C ATOM 637 CD1 LEU C 48 19.731 30.582 -6.427 1.00 0.00 C ATOM 638 CD2 LEU C 48 21.815 29.826 -7.579 1.00 0.00 C ATOM 0 H LEU C 48 21.664 27.560 -3.813 1.00 0.00 H new ATOM 0 HA LEU C 48 23.257 28.682 -6.056 1.00 0.00 H new ATOM 0 HB2 LEU C 48 21.038 29.635 -4.223 1.00 0.00 H new ATOM 0 HB3 LEU C 48 22.047 30.822 -5.026 1.00 0.00 H new ATOM 0 HG LEU C 48 20.508 28.574 -6.412 1.00 0.00 H new ATOM 0 HD11 LEU C 48 19.168 30.437 -7.349 1.00 0.00 H new ATOM 0 HD12 LEU C 48 19.076 30.415 -5.572 1.00 0.00 H new ATOM 0 HD13 LEU C 48 20.118 31.601 -6.394 1.00 0.00 H new ATOM 0 HD21 LEU C 48 21.253 29.681 -8.502 1.00 0.00 H new ATOM 0 HD22 LEU C 48 22.203 30.844 -7.547 1.00 0.00 H new ATOM 0 HD23 LEU C 48 22.645 29.120 -7.545 1.00 0.00 H new ATOM 650 N THR C 49 24.658 28.534 -3.444 1.00 0.00 N ATOM 651 CA THR C 49 25.743 29.026 -2.547 1.00 0.00 C ATOM 652 C THR C 49 27.084 28.954 -3.278 1.00 0.00 C ATOM 653 O THR C 49 27.503 29.895 -3.920 1.00 0.00 O ATOM 654 CB THR C 49 25.798 28.154 -1.291 1.00 0.00 C ATOM 655 OG1 THR C 49 24.626 28.367 -0.519 1.00 0.00 O ATOM 656 CG2 THR C 49 27.030 28.527 -0.465 1.00 0.00 C ATOM 0 H THR C 49 24.524 27.523 -3.451 1.00 0.00 H new ATOM 0 HA THR C 49 25.541 30.059 -2.265 1.00 0.00 H new ATOM 0 HB THR C 49 25.859 27.104 -1.577 1.00 0.00 H new ATOM 0 HG1 THR C 49 24.658 27.808 0.285 1.00 0.00 H new ATOM 0 HG21 THR C 49 27.070 27.906 0.430 1.00 0.00 H new ATOM 0 HG22 THR C 49 27.929 28.365 -1.059 1.00 0.00 H new ATOM 0 HG23 THR C 49 26.970 29.576 -0.176 1.00 0.00 H new ATOM 664 N THR C 50 27.761 27.843 -3.184 1.00 0.00 N ATOM 665 CA THR C 50 29.076 27.711 -3.873 1.00 0.00 C ATOM 666 C THR C 50 28.862 27.165 -5.286 1.00 0.00 C ATOM 667 O THR C 50 28.926 27.889 -6.259 1.00 0.00 O ATOM 668 CB THR C 50 29.968 26.749 -3.086 1.00 0.00 C ATOM 669 OG1 THR C 50 29.371 26.475 -1.827 1.00 0.00 O ATOM 670 CG2 THR C 50 31.343 27.385 -2.873 1.00 0.00 C ATOM 0 H THR C 50 27.461 27.021 -2.660 1.00 0.00 H new ATOM 0 HA THR C 50 29.555 28.689 -3.931 1.00 0.00 H new ATOM 0 HB THR C 50 30.082 25.820 -3.644 1.00 0.00 H new ATOM 0 HG1 THR C 50 29.941 25.857 -1.322 1.00 0.00 H new ATOM 0 HG21 THR C 50 31.978 26.699 -2.312 1.00 0.00 H new ATOM 0 HG22 THR C 50 31.800 27.595 -3.840 1.00 0.00 H new ATOM 0 HG23 THR C 50 31.231 28.315 -2.315 1.00 0.00 H new ATOM 678 N GLY C 51 28.609 25.891 -5.405 1.00 0.00 N ATOM 679 CA GLY C 51 28.390 25.295 -6.754 1.00 0.00 C ATOM 680 C GLY C 51 28.334 23.772 -6.628 1.00 0.00 C ATOM 681 O GLY C 51 29.022 23.056 -7.329 1.00 0.00 O ATOM 0 H GLY C 51 28.544 25.236 -4.626 1.00 0.00 H new ATOM 0 HA2 GLY C 51 27.462 25.671 -7.184 1.00 0.00 H new ATOM 0 HA3 GLY C 51 29.195 25.587 -7.429 1.00 0.00 H new ATOM 685 N GLN C 52 27.520 23.271 -5.741 1.00 0.00 N ATOM 686 CA GLN C 52 27.419 21.795 -5.570 1.00 0.00 C ATOM 687 C GLN C 52 26.097 21.301 -6.162 1.00 0.00 C ATOM 688 O GLN C 52 25.179 22.068 -6.377 1.00 0.00 O ATOM 689 CB GLN C 52 27.471 21.452 -4.079 1.00 0.00 C ATOM 690 CG GLN C 52 28.696 20.580 -3.797 1.00 0.00 C ATOM 691 CD GLN C 52 29.630 21.309 -2.829 1.00 0.00 C ATOM 692 OE1 GLN C 52 30.447 22.107 -3.240 1.00 0.00 O ATOM 693 NE2 GLN C 52 29.542 21.066 -1.549 1.00 0.00 N ATOM 0 H GLN C 52 26.920 23.821 -5.126 1.00 0.00 H new ATOM 0 HA GLN C 52 28.249 21.311 -6.085 1.00 0.00 H new ATOM 0 HB2 GLN C 52 27.518 22.366 -3.486 1.00 0.00 H new ATOM 0 HB3 GLN C 52 26.562 20.927 -3.784 1.00 0.00 H new ATOM 0 HG2 GLN C 52 28.386 19.626 -3.371 1.00 0.00 H new ATOM 0 HG3 GLN C 52 29.220 20.359 -4.727 1.00 0.00 H new ATOM 0 HE21 GLN C 52 28.856 20.395 -1.203 1.00 0.00 H new ATOM 0 HE22 GLN C 52 30.160 21.547 -0.895 1.00 0.00 H new ATOM 702 N THR C 53 25.991 20.028 -6.425 1.00 0.00 N ATOM 703 CA THR C 53 24.727 19.489 -7.002 1.00 0.00 C ATOM 704 C THR C 53 24.284 18.264 -6.190 1.00 0.00 C ATOM 705 O THR C 53 25.065 17.377 -5.908 1.00 0.00 O ATOM 706 CB THR C 53 24.964 19.130 -8.487 1.00 0.00 C ATOM 707 OG1 THR C 53 24.098 19.911 -9.296 1.00 0.00 O ATOM 708 CG2 THR C 53 24.697 17.641 -8.759 1.00 0.00 C ATOM 0 H THR C 53 26.725 19.338 -6.265 1.00 0.00 H new ATOM 0 HA THR C 53 23.933 20.234 -6.953 1.00 0.00 H new ATOM 0 HB THR C 53 26.007 19.337 -8.725 1.00 0.00 H new ATOM 0 HG1 THR C 53 24.244 19.690 -10.240 1.00 0.00 H new ATOM 0 HG21 THR C 53 24.874 17.426 -9.813 1.00 0.00 H new ATOM 0 HG22 THR C 53 25.365 17.034 -8.148 1.00 0.00 H new ATOM 0 HG23 THR C 53 23.662 17.405 -8.509 1.00 0.00 H new ATOM 716 N GLY C 54 23.035 18.210 -5.816 1.00 0.00 N ATOM 717 CA GLY C 54 22.545 17.046 -5.025 1.00 0.00 C ATOM 718 C GLY C 54 21.104 16.726 -5.426 1.00 0.00 C ATOM 719 O GLY C 54 20.284 17.608 -5.594 1.00 0.00 O ATOM 0 H GLY C 54 22.333 18.921 -6.024 1.00 0.00 H new ATOM 0 HA2 GLY C 54 23.183 16.180 -5.200 1.00 0.00 H new ATOM 0 HA3 GLY C 54 22.596 17.270 -3.959 1.00 0.00 H new ATOM 723 N TYR C 55 20.788 15.470 -5.585 1.00 0.00 N ATOM 724 CA TYR C 55 19.405 15.092 -5.974 1.00 0.00 C ATOM 725 C TYR C 55 18.465 15.298 -4.785 1.00 0.00 C ATOM 726 O TYR C 55 18.418 14.497 -3.873 1.00 0.00 O ATOM 727 CB TYR C 55 19.386 13.621 -6.390 1.00 0.00 C ATOM 728 CG TYR C 55 20.653 13.297 -7.184 1.00 0.00 C ATOM 729 CD1 TYR C 55 21.288 14.278 -7.918 1.00 0.00 C ATOM 730 CD2 TYR C 55 21.177 12.020 -7.179 1.00 0.00 C ATOM 731 CE1 TYR C 55 22.428 13.987 -8.637 1.00 0.00 C ATOM 732 CE2 TYR C 55 22.318 11.729 -7.898 1.00 0.00 C ATOM 733 CZ TYR C 55 22.953 12.711 -8.633 1.00 0.00 C ATOM 734 OH TYR C 55 24.094 12.419 -9.353 1.00 0.00 O ATOM 0 H TYR C 55 21.432 14.689 -5.461 1.00 0.00 H new ATOM 0 HA TYR C 55 19.075 15.714 -6.806 1.00 0.00 H new ATOM 0 HB2 TYR C 55 19.324 12.984 -5.508 1.00 0.00 H new ATOM 0 HB3 TYR C 55 18.503 13.415 -6.995 1.00 0.00 H new ATOM 0 HD1 TYR C 55 20.889 15.282 -7.929 1.00 0.00 H new ATOM 0 HD2 TYR C 55 20.690 11.243 -6.608 1.00 0.00 H new ATOM 0 HE1 TYR C 55 22.914 14.764 -9.208 1.00 0.00 H new ATOM 0 HE2 TYR C 55 22.718 10.726 -7.886 1.00 0.00 H new ATOM 0 HH TYR C 55 24.322 11.473 -9.235 1.00 0.00 H new ATOM 744 N ILE C 56 17.716 16.366 -4.788 1.00 0.00 N ATOM 745 CA ILE C 56 16.781 16.616 -3.652 1.00 0.00 C ATOM 746 C ILE C 56 15.432 15.944 -3.941 1.00 0.00 C ATOM 747 O ILE C 56 14.897 16.079 -5.023 1.00 0.00 O ATOM 748 CB ILE C 56 16.578 18.128 -3.456 1.00 0.00 C ATOM 749 CG1 ILE C 56 15.585 18.676 -4.488 1.00 0.00 C ATOM 750 CG2 ILE C 56 17.921 18.848 -3.603 1.00 0.00 C ATOM 751 CD1 ILE C 56 16.198 18.606 -5.885 1.00 0.00 C ATOM 0 H ILE C 56 17.710 17.073 -5.523 1.00 0.00 H new ATOM 0 HA ILE C 56 17.207 16.197 -2.740 1.00 0.00 H new ATOM 0 HB ILE C 56 16.175 18.301 -2.458 1.00 0.00 H new ATOM 0 HG12 ILE C 56 14.660 18.100 -4.458 1.00 0.00 H new ATOM 0 HG13 ILE C 56 15.327 19.707 -4.246 1.00 0.00 H new ATOM 0 HG21 ILE C 56 17.777 19.919 -3.464 1.00 0.00 H new ATOM 0 HG22 ILE C 56 18.618 18.475 -2.852 1.00 0.00 H new ATOM 0 HG23 ILE C 56 18.326 18.663 -4.598 1.00 0.00 H new ATOM 0 HD11 ILE C 56 15.488 18.997 -6.614 1.00 0.00 H new ATOM 0 HD12 ILE C 56 17.111 19.202 -5.912 1.00 0.00 H new ATOM 0 HD13 ILE C 56 16.434 17.570 -6.127 1.00 0.00 H new ATOM 763 N PRO C 57 14.921 15.233 -2.963 1.00 0.00 N ATOM 764 CA PRO C 57 13.632 14.533 -3.099 1.00 0.00 C ATOM 765 C PRO C 57 12.504 15.543 -3.324 1.00 0.00 C ATOM 766 O PRO C 57 12.571 16.673 -2.882 1.00 0.00 O ATOM 767 CB PRO C 57 13.438 13.801 -1.764 1.00 0.00 C ATOM 768 CG PRO C 57 14.647 14.148 -0.857 1.00 0.00 C ATOM 769 CD PRO C 57 15.585 15.065 -1.656 1.00 0.00 C ATOM 0 HA PRO C 57 13.620 13.848 -3.947 1.00 0.00 H new ATOM 0 HB2 PRO C 57 12.505 14.108 -1.292 1.00 0.00 H new ATOM 0 HB3 PRO C 57 13.376 12.725 -1.923 1.00 0.00 H new ATOM 0 HG2 PRO C 57 14.311 14.645 0.053 1.00 0.00 H new ATOM 0 HG3 PRO C 57 15.168 13.241 -0.552 1.00 0.00 H new ATOM 0 HD2 PRO C 57 15.723 16.024 -1.156 1.00 0.00 H new ATOM 0 HD3 PRO C 57 16.573 14.619 -1.768 1.00 0.00 H new ATOM 777 N SER C 58 11.467 15.146 -4.010 1.00 0.00 N ATOM 778 CA SER C 58 10.337 16.083 -4.261 1.00 0.00 C ATOM 779 C SER C 58 9.376 16.047 -3.071 1.00 0.00 C ATOM 780 O SER C 58 8.174 15.976 -3.234 1.00 0.00 O ATOM 781 CB SER C 58 9.595 15.657 -5.530 1.00 0.00 C ATOM 782 OG SER C 58 9.682 14.248 -5.678 1.00 0.00 O ATOM 0 H SER C 58 11.354 14.213 -4.407 1.00 0.00 H new ATOM 0 HA SER C 58 10.722 17.095 -4.388 1.00 0.00 H new ATOM 0 HB2 SER C 58 8.551 15.964 -5.474 1.00 0.00 H new ATOM 0 HB3 SER C 58 10.026 16.152 -6.400 1.00 0.00 H new ATOM 0 HG SER C 58 9.023 13.817 -5.095 1.00 0.00 H new ATOM 788 N ASN C 59 9.896 16.097 -1.874 1.00 0.00 N ATOM 789 CA ASN C 59 9.011 16.065 -0.676 1.00 0.00 C ATOM 790 C ASN C 59 9.481 17.110 0.338 1.00 0.00 C ATOM 791 O ASN C 59 8.689 17.838 0.906 1.00 0.00 O ATOM 792 CB ASN C 59 9.067 14.675 -0.038 1.00 0.00 C ATOM 793 CG ASN C 59 7.814 13.886 -0.422 1.00 0.00 C ATOM 794 OD1 ASN C 59 6.986 13.589 0.417 1.00 0.00 O ATOM 795 ND2 ASN C 59 7.638 13.530 -1.666 1.00 0.00 N ATOM 0 H ASN C 59 10.894 16.159 -1.675 1.00 0.00 H new ATOM 0 HA ASN C 59 7.987 16.287 -0.977 1.00 0.00 H new ATOM 0 HB2 ASN C 59 9.959 14.146 -0.372 1.00 0.00 H new ATOM 0 HB3 ASN C 59 9.136 14.763 1.046 1.00 0.00 H new ATOM 0 HD21 ASN C 59 6.806 13.003 -1.933 1.00 0.00 H new ATOM 0 HD22 ASN C 59 8.332 13.779 -2.371 1.00 0.00 H new ATOM 802 N TYR C 60 10.763 17.194 0.572 1.00 0.00 N ATOM 803 CA TYR C 60 11.279 18.193 1.549 1.00 0.00 C ATOM 804 C TYR C 60 11.459 19.542 0.857 1.00 0.00 C ATOM 805 O TYR C 60 11.897 20.502 1.459 1.00 0.00 O ATOM 806 CB TYR C 60 12.629 17.723 2.094 1.00 0.00 C ATOM 807 CG TYR C 60 12.478 16.325 2.693 1.00 0.00 C ATOM 808 CD1 TYR C 60 11.455 16.049 3.576 1.00 0.00 C ATOM 809 CD2 TYR C 60 13.367 15.324 2.365 1.00 0.00 C ATOM 810 CE1 TYR C 60 11.325 14.790 4.124 1.00 0.00 C ATOM 811 CE2 TYR C 60 13.237 14.065 2.912 1.00 0.00 C ATOM 812 CZ TYR C 60 12.214 13.787 3.796 1.00 0.00 C ATOM 813 OH TYR C 60 12.084 12.527 4.344 1.00 0.00 O ATOM 0 H TYR C 60 11.475 16.613 0.128 1.00 0.00 H new ATOM 0 HA TYR C 60 10.567 18.296 2.368 1.00 0.00 H new ATOM 0 HB2 TYR C 60 13.371 17.710 1.296 1.00 0.00 H new ATOM 0 HB3 TYR C 60 12.989 18.418 2.852 1.00 0.00 H new ATOM 0 HD1 TYR C 60 10.751 16.824 3.840 1.00 0.00 H new ATOM 0 HD2 TYR C 60 14.172 15.527 1.674 1.00 0.00 H new ATOM 0 HE1 TYR C 60 10.521 14.588 4.816 1.00 0.00 H new ATOM 0 HE2 TYR C 60 13.941 13.290 2.647 1.00 0.00 H new ATOM 0 HH TYR C 60 11.135 12.326 4.480 1.00 0.00 H new ATOM 823 N VAL C 61 11.131 19.627 -0.401 1.00 0.00 N ATOM 824 CA VAL C 61 11.290 20.921 -1.116 1.00 0.00 C ATOM 825 C VAL C 61 9.912 21.475 -1.476 1.00 0.00 C ATOM 826 O VAL C 61 8.899 21.036 -0.970 1.00 0.00 O ATOM 827 CB VAL C 61 12.143 20.708 -2.380 1.00 0.00 C ATOM 828 CG1 VAL C 61 11.258 20.487 -3.614 1.00 0.00 C ATOM 829 CG2 VAL C 61 13.032 21.932 -2.602 1.00 0.00 C ATOM 0 H VAL C 61 10.761 18.860 -0.962 1.00 0.00 H new ATOM 0 HA VAL C 61 11.797 21.641 -0.474 1.00 0.00 H new ATOM 0 HB VAL C 61 12.757 19.819 -2.236 1.00 0.00 H new ATOM 0 HG11 VAL C 61 11.888 20.339 -4.492 1.00 0.00 H new ATOM 0 HG12 VAL C 61 10.635 19.606 -3.462 1.00 0.00 H new ATOM 0 HG13 VAL C 61 10.622 21.359 -3.766 1.00 0.00 H new ATOM 0 HG21 VAL C 61 13.637 21.785 -3.496 1.00 0.00 H new ATOM 0 HG22 VAL C 61 12.408 22.817 -2.728 1.00 0.00 H new ATOM 0 HG23 VAL C 61 13.685 22.068 -1.740 1.00 0.00 H new ATOM 839 N ALA C 62 9.873 22.436 -2.347 1.00 0.00 N ATOM 840 CA ALA C 62 8.565 23.027 -2.747 1.00 0.00 C ATOM 841 C ALA C 62 8.799 24.347 -3.488 1.00 0.00 C ATOM 842 O ALA C 62 9.734 25.064 -3.190 1.00 0.00 O ATOM 843 CB ALA C 62 7.721 23.286 -1.497 1.00 0.00 C ATOM 0 H ALA C 62 10.690 22.842 -2.803 1.00 0.00 H new ATOM 0 HA ALA C 62 8.041 22.333 -3.405 1.00 0.00 H new ATOM 0 HB1 ALA C 62 6.764 23.718 -1.788 1.00 0.00 H new ATOM 0 HB2 ALA C 62 7.550 22.346 -0.972 1.00 0.00 H new ATOM 0 HB3 ALA C 62 8.247 23.978 -0.840 1.00 0.00 H new ATOM 849 N PRO C 63 7.937 24.629 -4.434 1.00 0.00 N ATOM 850 CA PRO C 63 8.026 25.862 -5.236 1.00 0.00 C ATOM 851 C PRO C 63 7.852 27.089 -4.338 1.00 0.00 C ATOM 852 O PRO C 63 6.978 27.134 -3.494 1.00 0.00 O ATOM 853 CB PRO C 63 6.870 25.762 -6.241 1.00 0.00 C ATOM 854 CG PRO C 63 6.100 24.449 -5.945 1.00 0.00 C ATOM 855 CD PRO C 63 6.812 23.741 -4.782 1.00 0.00 C ATOM 0 HA PRO C 63 8.991 25.966 -5.732 1.00 0.00 H new ATOM 0 HB2 PRO C 63 6.208 26.623 -6.149 1.00 0.00 H new ATOM 0 HB3 PRO C 63 7.250 25.760 -7.262 1.00 0.00 H new ATOM 0 HG2 PRO C 63 5.064 24.664 -5.685 1.00 0.00 H new ATOM 0 HG3 PRO C 63 6.081 23.810 -6.828 1.00 0.00 H new ATOM 0 HD2 PRO C 63 6.142 23.601 -3.934 1.00 0.00 H new ATOM 0 HD3 PRO C 63 7.164 22.753 -5.077 1.00 0.00 H new ATOM 863 N SER C 64 8.677 28.086 -4.510 1.00 0.00 N ATOM 864 CA SER C 64 8.555 29.306 -3.665 1.00 0.00 C ATOM 865 C SER C 64 9.102 30.513 -4.430 1.00 0.00 C ATOM 866 O SER C 64 9.655 31.393 -3.793 1.00 0.00 O ATOM 867 CB SER C 64 9.354 29.116 -2.374 1.00 0.00 C ATOM 868 OG SER C 64 10.736 29.008 -2.684 1.00 0.00 O ATOM 869 OXT SER C 64 8.955 30.537 -5.642 1.00 0.00 O ATOM 0 H SER C 64 9.429 28.108 -5.199 1.00 0.00 H new ATOM 0 HA SER C 64 7.506 29.475 -3.421 1.00 0.00 H new ATOM 0 HB2 SER C 64 9.186 29.958 -1.702 1.00 0.00 H new ATOM 0 HB3 SER C 64 9.016 28.220 -1.853 1.00 0.00 H new ATOM 0 HG SER C 64 10.841 28.706 -3.610 1.00 0.00 H new TER 875 SER C 64 ATOM 876 N ALA A 71 9.169 9.660 12.356 1.00 0.00 N ATOM 877 CA ALA A 71 10.479 10.103 12.911 1.00 0.00 C ATOM 878 C ALA A 71 10.898 11.419 12.251 1.00 0.00 C ATOM 879 O ALA A 71 12.026 11.853 12.372 1.00 0.00 O ATOM 880 CB ALA A 71 11.537 9.033 12.633 1.00 0.00 C ATOM 0 HA ALA A 71 10.385 10.252 13.987 1.00 0.00 H new ATOM 0 HB1 ALA A 71 12.496 9.356 13.038 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.240 8.096 13.105 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.630 8.884 11.557 1.00 0.00 H new ATOM 888 N PHE A 72 9.996 12.060 11.557 1.00 0.00 N ATOM 889 CA PHE A 72 10.341 13.348 10.888 1.00 0.00 C ATOM 890 C PHE A 72 9.293 13.669 9.823 1.00 0.00 C ATOM 891 O PHE A 72 8.242 13.063 9.764 1.00 0.00 O ATOM 892 CB PHE A 72 11.710 13.223 10.213 1.00 0.00 C ATOM 893 CG PHE A 72 12.703 14.184 10.869 1.00 0.00 C ATOM 894 CD1 PHE A 72 12.558 15.551 10.722 1.00 0.00 C ATOM 895 CD2 PHE A 72 13.764 13.695 11.608 1.00 0.00 C ATOM 896 CE1 PHE A 72 13.462 16.416 11.305 1.00 0.00 C ATOM 897 CE2 PHE A 72 14.668 14.561 12.192 1.00 0.00 C ATOM 898 CZ PHE A 72 14.516 15.921 12.040 1.00 0.00 C ATOM 0 H PHE A 72 9.034 11.747 11.424 1.00 0.00 H new ATOM 0 HA PHE A 72 10.366 14.143 11.633 1.00 0.00 H new ATOM 0 HB2 PHE A 72 12.073 12.199 10.295 1.00 0.00 H new ATOM 0 HB3 PHE A 72 11.623 13.446 9.150 1.00 0.00 H new ATOM 0 HD1 PHE A 72 11.732 15.944 10.148 1.00 0.00 H new ATOM 0 HD2 PHE A 72 13.887 12.629 11.730 1.00 0.00 H new ATOM 0 HE1 PHE A 72 13.342 17.483 11.185 1.00 0.00 H new ATOM 0 HE2 PHE A 72 15.494 14.171 12.768 1.00 0.00 H new ATOM 0 HZ PHE A 72 15.222 16.599 12.497 1.00 0.00 H new ATOM 908 N ALA A 73 9.574 14.630 8.988 1.00 0.00 N ATOM 909 CA ALA A 73 8.613 15.009 7.915 1.00 0.00 C ATOM 910 C ALA A 73 8.225 13.739 7.140 1.00 0.00 C ATOM 911 O ALA A 73 8.628 12.656 7.516 1.00 0.00 O ATOM 912 CB ALA A 73 9.298 16.015 6.994 1.00 0.00 C ATOM 0 H ALA A 73 10.437 15.174 9.003 1.00 0.00 H new ATOM 0 HA ALA A 73 7.712 15.460 8.330 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.611 16.307 6.199 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.585 16.896 7.567 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.187 15.561 6.557 1.00 0.00 H new ATOM 918 N PRO A 74 7.466 13.886 6.077 1.00 0.00 N ATOM 919 CA PRO A 74 7.047 12.722 5.278 1.00 0.00 C ATOM 920 C PRO A 74 8.266 11.854 4.931 1.00 0.00 C ATOM 921 O PRO A 74 9.332 12.369 4.656 1.00 0.00 O ATOM 922 CB PRO A 74 6.400 13.319 4.024 1.00 0.00 C ATOM 923 CG PRO A 74 6.261 14.846 4.257 1.00 0.00 C ATOM 924 CD PRO A 74 6.993 15.189 5.565 1.00 0.00 C ATOM 0 HA PRO A 74 6.353 12.071 5.809 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.012 13.119 3.144 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.424 12.868 3.843 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.690 15.401 3.422 1.00 0.00 H new ATOM 0 HG3 PRO A 74 5.210 15.129 4.321 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.824 15.871 5.387 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.327 15.677 6.277 1.00 0.00 H new ATOM 932 N PRO A 75 8.069 10.557 4.956 1.00 0.00 N ATOM 933 CA PRO A 75 9.139 9.589 4.649 1.00 0.00 C ATOM 934 C PRO A 75 9.684 9.802 3.234 1.00 0.00 C ATOM 935 O PRO A 75 9.028 10.360 2.378 1.00 0.00 O ATOM 936 CB PRO A 75 8.472 8.212 4.764 1.00 0.00 C ATOM 937 CG PRO A 75 6.991 8.437 5.166 1.00 0.00 C ATOM 938 CD PRO A 75 6.762 9.952 5.280 1.00 0.00 C ATOM 0 HA PRO A 75 9.987 9.697 5.325 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.534 7.677 3.816 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.982 7.601 5.509 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.323 8.004 4.421 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.773 7.945 6.114 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.989 10.288 4.589 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.436 10.228 6.283 1.00 0.00 H new ATOM 946 N LEU A 76 10.888 9.355 2.990 1.00 0.00 N ATOM 947 CA LEU A 76 11.490 9.520 1.638 1.00 0.00 C ATOM 948 C LEU A 76 11.143 8.297 0.780 1.00 0.00 C ATOM 949 O LEU A 76 11.536 7.194 1.104 1.00 0.00 O ATOM 950 CB LEU A 76 13.011 9.623 1.773 1.00 0.00 C ATOM 951 CG LEU A 76 13.447 11.075 1.574 1.00 0.00 C ATOM 952 CD1 LEU A 76 14.955 11.190 1.808 1.00 0.00 C ATOM 953 CD2 LEU A 76 13.116 11.516 0.147 1.00 0.00 C ATOM 0 H LEU A 76 11.480 8.882 3.672 1.00 0.00 H new ATOM 0 HA LEU A 76 11.100 10.423 1.169 1.00 0.00 H new ATOM 0 HB2 LEU A 76 13.324 9.270 2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 76 13.496 8.983 1.036 1.00 0.00 H new ATOM 0 HG LEU A 76 12.920 11.714 2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 76 15.267 12.225 1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 76 15.190 10.876 2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 76 15.483 10.552 1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 76 13.427 12.551 0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.643 10.878 -0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.042 11.433 -0.019 1.00 0.00 H new ATOM 965 N PRO A 77 10.418 8.519 -0.288 1.00 0.00 N ATOM 966 CA PRO A 77 10.017 7.429 -1.194 1.00 0.00 C ATOM 967 C PRO A 77 11.255 6.735 -1.768 1.00 0.00 C ATOM 968 O PRO A 77 11.830 7.175 -2.742 1.00 0.00 O ATOM 969 CB PRO A 77 9.214 8.116 -2.307 1.00 0.00 C ATOM 970 CG PRO A 77 9.156 9.631 -1.979 1.00 0.00 C ATOM 971 CD PRO A 77 9.945 9.859 -0.680 1.00 0.00 C ATOM 0 HA PRO A 77 9.434 6.661 -0.687 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.686 7.952 -3.276 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.209 7.699 -2.367 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.584 10.215 -2.794 1.00 0.00 H new ATOM 0 HG3 PRO A 77 8.123 9.957 -1.861 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.779 10.542 -0.838 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.315 10.298 0.094 1.00 0.00 H new ATOM 979 N ARG A 78 11.669 5.652 -1.166 1.00 0.00 N ATOM 980 CA ARG A 78 12.868 4.923 -1.670 1.00 0.00 C ATOM 981 C ARG A 78 12.821 4.853 -3.198 1.00 0.00 C ATOM 982 O ARG A 78 11.834 4.449 -3.781 1.00 0.00 O ATOM 983 CB ARG A 78 12.881 3.505 -1.095 1.00 0.00 C ATOM 984 CG ARG A 78 14.281 2.905 -1.245 1.00 0.00 C ATOM 985 CD ARG A 78 14.916 2.741 0.138 1.00 0.00 C ATOM 986 NE ARG A 78 16.016 3.733 0.300 1.00 0.00 N ATOM 987 CZ ARG A 78 17.097 3.639 -0.427 1.00 0.00 C ATOM 988 NH1 ARG A 78 17.222 2.674 -1.297 1.00 0.00 N ATOM 989 NH2 ARG A 78 18.057 4.512 -0.282 1.00 0.00 N ATOM 0 H ARG A 78 11.227 5.240 -0.344 1.00 0.00 H new ATOM 0 HA ARG A 78 13.770 5.451 -1.359 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.593 3.525 -0.044 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.150 2.884 -1.614 1.00 0.00 H new ATOM 0 HG2 ARG A 78 14.223 1.939 -1.747 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.900 3.551 -1.867 1.00 0.00 H new ATOM 0 HD2 ARG A 78 14.165 2.885 0.914 1.00 0.00 H new ATOM 0 HD3 ARG A 78 15.304 1.729 0.254 1.00 0.00 H new ATOM 0 HE ARG A 78 15.925 4.487 0.980 1.00 0.00 H new ATOM 0 HH11 ARG A 78 16.474 1.990 -1.411 1.00 0.00 H new ATOM 0 HH12 ARG A 78 18.068 2.604 -1.863 1.00 0.00 H new ATOM 0 HH21 ARG A 78 17.962 5.266 0.398 1.00 0.00 H new ATOM 0 HH22 ARG A 78 18.902 4.440 -0.849 1.00 0.00 H new ATOM 1003 N ARG A 79 13.881 5.241 -3.851 1.00 0.00 N ATOM 1004 CA ARG A 79 13.897 5.196 -5.341 1.00 0.00 C ATOM 1005 C ARG A 79 13.300 3.871 -5.817 1.00 0.00 C ATOM 1006 O ARG A 79 13.838 2.837 -5.457 1.00 0.00 O ATOM 1007 CB ARG A 79 15.339 5.311 -5.837 1.00 0.00 C ATOM 1008 CG ARG A 79 15.984 6.567 -5.246 1.00 0.00 C ATOM 1009 CD ARG A 79 17.055 6.158 -4.232 1.00 0.00 C ATOM 1010 NE ARG A 79 17.391 7.322 -3.366 1.00 0.00 N ATOM 1011 CZ ARG A 79 18.097 8.313 -3.841 1.00 0.00 C ATOM 1012 NH1 ARG A 79 18.517 8.286 -5.078 1.00 0.00 N ATOM 1013 NH2 ARG A 79 18.385 9.331 -3.079 1.00 0.00 N ATOM 1014 OXT ARG A 79 12.313 3.912 -6.535 1.00 0.00 O ATOM 0 H ARG A 79 14.737 5.587 -3.418 1.00 0.00 H new ATOM 0 HA ARG A 79 13.308 6.023 -5.737 1.00 0.00 H new ATOM 0 HB2 ARG A 79 15.906 4.427 -5.546 1.00 0.00 H new ATOM 0 HB3 ARG A 79 15.358 5.358 -6.926 1.00 0.00 H new ATOM 0 HG2 ARG A 79 16.429 7.169 -6.039 1.00 0.00 H new ATOM 0 HG3 ARG A 79 15.227 7.185 -4.763 1.00 0.00 H new ATOM 0 HD2 ARG A 79 16.695 5.329 -3.622 1.00 0.00 H new ATOM 0 HD3 ARG A 79 17.947 5.808 -4.751 1.00 0.00 H new ATOM 0 HE ARG A 79 17.069 7.345 -2.399 1.00 0.00 H new ATOM 0 HH11 ARG A 79 18.294 7.490 -5.675 1.00 0.00 H new ATOM 0 HH12 ARG A 79 19.068 9.061 -5.446 1.00 0.00 H new ATOM 0 HH21 ARG A 79 18.059 9.353 -2.113 1.00 0.00 H new ATOM 0 HH22 ARG A 79 18.936 10.105 -3.449 1.00 0.00 H new TER 1028 ARG A 79