USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 709 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 137:sc= -2.81! (180deg=-4.25) USER MOD Single : A 1 MET N :NH3+ -172:sc= 1.25 (180deg=1.2) USER MOD Single : A 3 MET CE :methyl -161:sc= -0.561 (180deg=-1.08) USER MOD Single : A 17 LYS NZ :NH3+ 169:sc= 1.28 (180deg=1.06) USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= -0.0354 (180deg=-0.292) USER MOD Single : A 22 MET CE :methyl -165:sc= -0.579 (180deg=-1.63) USER MOD Single : A 25 GLN : amide:sc= -0.507 K(o=-0.51,f=-1) USER MOD Single : A 28 LYS NZ :NH3+ 139:sc= -1.77 (180deg=-4.41!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 51:sc= -0.251 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.284 K(o=-0.28,f=-4.8!) USER MOD Single : A 47 THR OG1 : rot 123:sc= -1.31! USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -121:sc= 0.873 (180deg=0.0197) USER MOD Single : A 66 LYS NZ :NH3+ -118:sc= 0.433 (180deg=-0.351) USER MOD Single : A 69 ASN : amide:sc= -0.506 K(o=-0.51,f=-1.2) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 74 TYR OH : rot -61:sc= 0.045 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.0156 X(o=-0.016,f=-0.0087) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HE2:sc= -0.319 X(o=-0.32,f=-0.78) USER MOD Single : A 84 HIS : no HD1:sc= -0.161 K(o=-0.16,f=-0.67) USER MOD Single : A 85 HIS : no HE2:sc= 0.00385 X(o=0.0038,f=-0.05) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.721 14.087 3.790 1.00 34.23 N ATOM 2 CA MET A 1 -2.664 13.024 4.239 1.00 2.11 C ATOM 3 C MET A 1 -1.908 11.758 4.684 1.00 41.24 C ATOM 4 O MET A 1 -0.769 11.520 4.270 1.00 13.21 O ATOM 5 CB MET A 1 -3.629 12.666 3.098 1.00 4.01 C ATOM 6 CG MET A 1 -4.741 11.694 3.491 1.00 33.21 C ATOM 7 SD MET A 1 -5.608 11.021 2.060 1.00 44.22 S ATOM 8 CE MET A 1 -4.281 10.121 1.262 1.00 2.30 C ATOM 0 H1 MET A 1 -2.246 14.970 3.626 1.00 34.23 H new ATOM 0 H2 MET A 1 -1.000 14.244 4.523 1.00 34.23 H new ATOM 0 H3 MET A 1 -1.258 13.790 2.907 1.00 34.23 H new ATOM 0 HA MET A 1 -3.224 13.410 5.091 1.00 2.11 H new ATOM 0 HB2 MET A 1 -4.082 13.583 2.721 1.00 4.01 H new ATOM 0 HB3 MET A 1 -3.057 12.232 2.278 1.00 4.01 H new ATOM 0 HG2 MET A 1 -4.315 10.876 4.072 1.00 33.21 H new ATOM 0 HG3 MET A 1 -5.455 12.206 4.137 1.00 33.21 H new ATOM 0 HE1 MET A 1 -4.650 9.152 0.926 1.00 2.30 H new ATOM 0 HE2 MET A 1 -3.920 10.689 0.405 1.00 2.30 H new ATOM 0 HE3 MET A 1 -3.465 9.973 1.969 1.00 2.30 H new ATOM 20 N GLU A 2 -2.546 10.963 5.539 1.00 44.33 N ATOM 21 CA GLU A 2 -2.022 9.649 5.942 1.00 52.03 C ATOM 22 C GLU A 2 -2.724 8.531 5.155 1.00 24.11 C ATOM 23 O GLU A 2 -3.900 8.656 4.818 1.00 22.15 O ATOM 24 CB GLU A 2 -2.261 9.434 7.439 1.00 43.21 C ATOM 25 CG GLU A 2 -1.664 10.517 8.327 1.00 54.44 C ATOM 26 CD GLU A 2 -2.156 10.419 9.760 1.00 14.11 C ATOM 27 OE1 GLU A 2 -1.692 9.523 10.490 1.00 32.43 O ATOM 28 OE2 GLU A 2 -3.026 11.222 10.154 1.00 41.45 O ATOM 0 H GLU A 2 -3.437 11.204 5.973 1.00 44.33 H new ATOM 0 HA GLU A 2 -0.953 9.621 5.731 1.00 52.03 H new ATOM 0 HB2 GLU A 2 -3.335 9.382 7.620 1.00 43.21 H new ATOM 0 HB3 GLU A 2 -1.841 8.470 7.728 1.00 43.21 H new ATOM 0 HG2 GLU A 2 -0.577 10.439 8.312 1.00 54.44 H new ATOM 0 HG3 GLU A 2 -1.919 11.497 7.923 1.00 54.44 H new ATOM 35 N MET A 3 -2.014 7.443 4.857 1.00 41.31 N ATOM 36 CA MET A 3 -2.637 6.307 4.164 1.00 23.33 C ATOM 37 C MET A 3 -2.009 4.964 4.575 1.00 54.32 C ATOM 38 O MET A 3 -0.864 4.663 4.228 1.00 1.03 O ATOM 39 CB MET A 3 -2.554 6.505 2.642 1.00 14.03 C ATOM 40 CG MET A 3 -3.488 5.595 1.852 1.00 23.24 C ATOM 41 SD MET A 3 -3.520 5.985 0.088 1.00 62.31 S ATOM 42 CE MET A 3 -4.814 4.884 -0.485 1.00 53.54 C ATOM 0 H MET A 3 -1.026 7.321 5.078 1.00 41.31 H new ATOM 0 HA MET A 3 -3.685 6.273 4.461 1.00 23.33 H new ATOM 0 HB2 MET A 3 -2.788 7.543 2.407 1.00 14.03 H new ATOM 0 HB3 MET A 3 -1.529 6.328 2.317 1.00 14.03 H new ATOM 0 HG2 MET A 3 -3.176 4.559 1.985 1.00 23.24 H new ATOM 0 HG3 MET A 3 -4.497 5.679 2.256 1.00 23.24 H new ATOM 0 HE1 MET A 3 -4.729 4.753 -1.564 1.00 53.54 H new ATOM 0 HE2 MET A 3 -4.713 3.917 0.007 1.00 53.54 H new ATOM 0 HE3 MET A 3 -5.788 5.312 -0.247 1.00 53.54 H new ATOM 52 N ASP A 4 -2.761 4.175 5.341 1.00 43.13 N ATOM 53 CA ASP A 4 -2.352 2.815 5.706 1.00 71.31 C ATOM 54 C ASP A 4 -2.921 1.791 4.707 1.00 55.04 C ATOM 55 O ASP A 4 -4.131 1.559 4.661 1.00 73.44 O ATOM 56 CB ASP A 4 -2.834 2.479 7.122 1.00 3.13 C ATOM 57 CG ASP A 4 -2.257 3.413 8.170 1.00 11.21 C ATOM 58 OD1 ASP A 4 -2.855 4.477 8.429 1.00 21.43 O ATOM 59 OD2 ASP A 4 -1.195 3.092 8.740 1.00 41.13 O ATOM 0 H ASP A 4 -3.664 4.455 5.724 1.00 43.13 H new ATOM 0 HA ASP A 4 -1.263 2.766 5.677 1.00 71.31 H new ATOM 0 HB2 ASP A 4 -3.922 2.531 7.154 1.00 3.13 H new ATOM 0 HB3 ASP A 4 -2.557 1.453 7.363 1.00 3.13 H new ATOM 64 N ILE A 5 -2.049 1.196 3.898 1.00 54.20 N ATOM 65 CA ILE A 5 -2.459 0.191 2.908 1.00 11.13 C ATOM 66 C ILE A 5 -1.845 -1.180 3.236 1.00 31.33 C ATOM 67 O ILE A 5 -0.625 -1.334 3.229 1.00 35.41 O ATOM 68 CB ILE A 5 -2.024 0.604 1.477 1.00 72.30 C ATOM 69 CG1 ILE A 5 -2.569 1.997 1.122 1.00 42.32 C ATOM 70 CG2 ILE A 5 -2.491 -0.432 0.452 1.00 72.52 C ATOM 71 CD1 ILE A 5 -2.150 2.487 -0.251 1.00 40.33 C ATOM 0 H ILE A 5 -1.048 1.390 3.905 1.00 54.20 H new ATOM 0 HA ILE A 5 -3.546 0.125 2.948 1.00 11.13 H new ATOM 0 HB ILE A 5 -0.935 0.647 1.452 1.00 72.30 H new ATOM 0 HG12 ILE A 5 -3.658 1.975 1.173 1.00 42.32 H new ATOM 0 HG13 ILE A 5 -2.229 2.712 1.872 1.00 42.32 H new ATOM 0 HG21 ILE A 5 -2.176 -0.125 -0.545 1.00 72.52 H new ATOM 0 HG22 ILE A 5 -2.052 -1.401 0.688 1.00 72.52 H new ATOM 0 HG23 ILE A 5 -3.578 -0.509 0.482 1.00 72.52 H new ATOM 0 HD11 ILE A 5 -2.573 3.476 -0.429 1.00 40.33 H new ATOM 0 HD12 ILE A 5 -1.063 2.543 -0.301 1.00 40.33 H new ATOM 0 HD13 ILE A 5 -2.513 1.795 -1.011 1.00 40.33 H new ATOM 83 N ARG A 6 -2.682 -2.173 3.527 1.00 33.01 N ATOM 84 CA ARG A 6 -2.183 -3.518 3.846 1.00 4.32 C ATOM 85 C ARG A 6 -2.408 -4.511 2.698 1.00 60.12 C ATOM 86 O ARG A 6 -3.518 -4.645 2.180 1.00 12.55 O ATOM 87 CB ARG A 6 -2.819 -4.068 5.133 1.00 4.21 C ATOM 88 CG ARG A 6 -4.345 -4.034 5.155 1.00 42.32 C ATOM 89 CD ARG A 6 -4.931 -5.162 6.008 1.00 24.33 C ATOM 90 NE ARG A 6 -4.132 -5.434 7.203 1.00 21.12 N ATOM 91 CZ ARG A 6 -4.475 -5.111 8.418 1.00 20.04 C ATOM 92 NH1 ARG A 6 -5.589 -4.489 8.651 1.00 35.41 N ATOM 93 NH2 ARG A 6 -3.703 -5.444 9.401 1.00 24.22 N ATOM 0 H ARG A 6 -3.697 -2.079 3.550 1.00 33.01 H new ATOM 0 HA ARG A 6 -1.109 -3.411 3.999 1.00 4.32 H new ATOM 0 HB2 ARG A 6 -2.490 -5.098 5.273 1.00 4.21 H new ATOM 0 HB3 ARG A 6 -2.444 -3.495 5.981 1.00 4.21 H new ATOM 0 HG2 ARG A 6 -4.681 -3.073 5.545 1.00 42.32 H new ATOM 0 HG3 ARG A 6 -4.724 -4.115 4.136 1.00 42.32 H new ATOM 0 HD2 ARG A 6 -5.946 -4.898 6.306 1.00 24.33 H new ATOM 0 HD3 ARG A 6 -5.001 -6.069 5.407 1.00 24.33 H new ATOM 0 HE ARG A 6 -3.240 -5.912 7.076 1.00 21.12 H new ATOM 0 HH11 ARG A 6 -6.209 -4.247 7.878 1.00 35.41 H new ATOM 0 HH12 ARG A 6 -5.845 -4.242 9.607 1.00 35.41 H new ATOM 0 HH21 ARG A 6 -2.838 -5.953 9.220 1.00 24.22 H new ATOM 0 HH22 ARG A 6 -3.959 -5.197 10.357 1.00 24.22 H new ATOM 107 N PHE A 7 -1.337 -5.200 2.311 1.00 24.31 N ATOM 108 CA PHE A 7 -1.413 -6.303 1.351 1.00 61.25 C ATOM 109 C PHE A 7 -1.268 -7.641 2.089 1.00 74.24 C ATOM 110 O PHE A 7 -0.303 -7.848 2.822 1.00 63.41 O ATOM 111 CB PHE A 7 -0.304 -6.181 0.294 1.00 54.32 C ATOM 112 CG PHE A 7 -0.406 -4.957 -0.588 1.00 74.34 C ATOM 113 CD1 PHE A 7 0.167 -3.752 -0.203 1.00 11.13 C ATOM 114 CD2 PHE A 7 -1.062 -5.018 -1.812 1.00 40.33 C ATOM 115 CE1 PHE A 7 0.086 -2.636 -1.019 1.00 51.44 C ATOM 116 CE2 PHE A 7 -1.142 -3.908 -2.629 1.00 34.14 C ATOM 117 CZ PHE A 7 -0.568 -2.716 -2.232 1.00 41.43 C ATOM 0 H PHE A 7 -0.394 -5.012 2.652 1.00 24.31 H new ATOM 0 HA PHE A 7 -2.381 -6.259 0.851 1.00 61.25 H new ATOM 0 HB2 PHE A 7 0.662 -6.169 0.799 1.00 54.32 H new ATOM 0 HB3 PHE A 7 -0.322 -7.070 -0.337 1.00 54.32 H new ATOM 0 HD1 PHE A 7 0.682 -3.684 0.744 1.00 11.13 H new ATOM 0 HD2 PHE A 7 -1.515 -5.946 -2.128 1.00 40.33 H new ATOM 0 HE1 PHE A 7 0.534 -1.704 -0.707 1.00 51.44 H new ATOM 0 HE2 PHE A 7 -1.653 -3.972 -3.578 1.00 34.14 H new ATOM 0 HZ PHE A 7 -0.631 -1.847 -2.870 1.00 41.43 H new ATOM 127 N ARG A 8 -2.218 -8.548 1.897 1.00 21.52 N ATOM 128 CA ARG A 8 -2.177 -9.850 2.567 1.00 31.52 C ATOM 129 C ARG A 8 -2.059 -10.997 1.549 1.00 70.42 C ATOM 130 O ARG A 8 -2.907 -11.145 0.663 1.00 71.23 O ATOM 131 CB ARG A 8 -3.421 -10.045 3.448 1.00 44.20 C ATOM 132 CG ARG A 8 -3.295 -11.226 4.404 1.00 65.43 C ATOM 133 CD ARG A 8 -4.517 -11.392 5.304 1.00 62.14 C ATOM 134 NE ARG A 8 -4.301 -12.428 6.316 1.00 61.54 N ATOM 135 CZ ARG A 8 -5.247 -13.126 6.882 1.00 73.24 C ATOM 136 NH1 ARG A 8 -6.486 -12.959 6.556 1.00 52.21 N ATOM 137 NH2 ARG A 8 -4.947 -14.011 7.774 1.00 13.52 N ATOM 0 H ARG A 8 -3.024 -8.411 1.287 1.00 21.52 H new ATOM 0 HA ARG A 8 -1.292 -9.869 3.202 1.00 31.52 H new ATOM 0 HB2 ARG A 8 -3.598 -9.136 4.023 1.00 44.20 H new ATOM 0 HB3 ARG A 8 -4.292 -10.193 2.810 1.00 44.20 H new ATOM 0 HG2 ARG A 8 -3.147 -12.139 3.828 1.00 65.43 H new ATOM 0 HG3 ARG A 8 -2.408 -11.093 5.024 1.00 65.43 H new ATOM 0 HD2 ARG A 8 -4.741 -10.444 5.794 1.00 62.14 H new ATOM 0 HD3 ARG A 8 -5.385 -11.650 4.697 1.00 62.14 H new ATOM 0 HE ARG A 8 -3.340 -12.618 6.599 1.00 61.54 H new ATOM 0 HH11 ARG A 8 -6.738 -12.272 5.845 1.00 52.21 H new ATOM 0 HH12 ARG A 8 -7.212 -13.514 7.009 1.00 52.21 H new ATOM 0 HH21 ARG A 8 -3.973 -14.163 8.034 1.00 13.52 H new ATOM 0 HH22 ARG A 8 -5.685 -14.558 8.218 1.00 13.52 H new ATOM 151 N GLY A 9 -1.003 -11.794 1.687 1.00 1.11 N ATOM 152 CA GLY A 9 -0.763 -12.916 0.786 1.00 65.33 C ATOM 153 C GLY A 9 0.540 -13.648 1.104 1.00 21.14 C ATOM 154 O GLY A 9 1.440 -13.080 1.722 1.00 31.21 O ATOM 0 H GLY A 9 -0.299 -11.683 2.416 1.00 1.11 H new ATOM 0 HA2 GLY A 9 -1.596 -13.616 0.852 1.00 65.33 H new ATOM 0 HA3 GLY A 9 -0.732 -12.554 -0.241 1.00 65.33 H new ATOM 158 N ASP A 10 0.647 -14.906 0.679 1.00 20.35 N ATOM 159 CA ASP A 10 1.833 -15.727 0.972 1.00 24.43 C ATOM 160 C ASP A 10 2.886 -15.666 -0.150 1.00 70.14 C ATOM 161 O ASP A 10 4.008 -16.145 0.019 1.00 12.31 O ATOM 162 CB ASP A 10 1.426 -17.182 1.209 1.00 55.43 C ATOM 163 CG ASP A 10 0.599 -17.356 2.468 1.00 10.54 C ATOM 164 OD1 ASP A 10 1.196 -17.492 3.559 1.00 32.33 O ATOM 165 OD2 ASP A 10 -0.646 -17.371 2.373 1.00 1.31 O ATOM 0 H ASP A 10 -0.069 -15.383 0.131 1.00 20.35 H new ATOM 0 HA ASP A 10 2.286 -15.314 1.873 1.00 24.43 H new ATOM 0 HB2 ASP A 10 0.857 -17.541 0.352 1.00 55.43 H new ATOM 0 HB3 ASP A 10 2.321 -17.800 1.278 1.00 55.43 H new ATOM 170 N ASP A 11 2.529 -15.089 -1.294 1.00 2.13 N ATOM 171 CA ASP A 11 3.465 -14.981 -2.417 1.00 41.42 C ATOM 172 C ASP A 11 4.639 -14.047 -2.080 1.00 44.51 C ATOM 173 O ASP A 11 4.478 -12.830 -1.985 1.00 42.25 O ATOM 174 CB ASP A 11 2.738 -14.511 -3.678 1.00 20.14 C ATOM 175 CG ASP A 11 1.691 -15.517 -4.121 1.00 54.32 C ATOM 176 OD1 ASP A 11 2.072 -16.646 -4.493 1.00 25.41 O ATOM 177 OD2 ASP A 11 0.489 -15.197 -4.075 1.00 71.32 O ATOM 0 H ASP A 11 1.607 -14.691 -1.471 1.00 2.13 H new ATOM 0 HA ASP A 11 3.878 -15.972 -2.606 1.00 41.42 H new ATOM 0 HB2 ASP A 11 2.263 -13.549 -3.488 1.00 20.14 H new ATOM 0 HB3 ASP A 11 3.460 -14.358 -4.480 1.00 20.14 H new ATOM 182 N LEU A 12 5.821 -14.642 -1.910 1.00 14.21 N ATOM 183 CA LEU A 12 7.026 -13.928 -1.460 1.00 22.44 C ATOM 184 C LEU A 12 7.296 -12.632 -2.247 1.00 25.11 C ATOM 185 O LEU A 12 7.416 -11.554 -1.659 1.00 54.45 O ATOM 186 CB LEU A 12 8.242 -14.860 -1.564 1.00 5.43 C ATOM 187 CG LEU A 12 9.575 -14.273 -1.064 1.00 5.21 C ATOM 188 CD1 LEU A 12 9.475 -13.878 0.406 1.00 12.30 C ATOM 189 CD2 LEU A 12 10.713 -15.268 -1.284 1.00 62.24 C ATOM 0 H LEU A 12 5.974 -15.636 -2.080 1.00 14.21 H new ATOM 0 HA LEU A 12 6.853 -13.635 -0.425 1.00 22.44 H new ATOM 0 HB2 LEU A 12 8.031 -15.768 -0.999 1.00 5.43 H new ATOM 0 HB3 LEU A 12 8.364 -15.154 -2.606 1.00 5.43 H new ATOM 0 HG LEU A 12 9.792 -13.373 -1.640 1.00 5.21 H new ATOM 0 HD11 LEU A 12 10.428 -13.466 0.738 1.00 12.30 H new ATOM 0 HD12 LEU A 12 8.693 -13.129 0.529 1.00 12.30 H new ATOM 0 HD13 LEU A 12 9.232 -14.757 1.003 1.00 12.30 H new ATOM 0 HD21 LEU A 12 11.648 -14.837 -0.925 1.00 62.24 H new ATOM 0 HD22 LEU A 12 10.504 -16.187 -0.737 1.00 62.24 H new ATOM 0 HD23 LEU A 12 10.801 -15.491 -2.347 1.00 62.24 H new ATOM 201 N GLU A 13 7.392 -12.736 -3.572 1.00 33.50 N ATOM 202 CA GLU A 13 7.756 -11.583 -4.405 1.00 3.53 C ATOM 203 C GLU A 13 6.722 -10.448 -4.315 1.00 24.41 C ATOM 204 O GLU A 13 7.065 -9.282 -4.512 1.00 3.25 O ATOM 205 CB GLU A 13 7.950 -11.994 -5.871 1.00 25.04 C ATOM 206 CG GLU A 13 6.675 -12.443 -6.577 1.00 41.15 C ATOM 207 CD GLU A 13 6.871 -12.588 -8.078 1.00 4.32 C ATOM 208 OE1 GLU A 13 6.897 -11.551 -8.778 1.00 65.21 O ATOM 209 OE2 GLU A 13 7.020 -13.730 -8.560 1.00 61.41 O ATOM 0 H GLU A 13 7.225 -13.598 -4.091 1.00 33.50 H new ATOM 0 HA GLU A 13 8.701 -11.208 -4.013 1.00 3.53 H new ATOM 0 HB2 GLU A 13 8.376 -11.152 -6.418 1.00 25.04 H new ATOM 0 HB3 GLU A 13 8.679 -12.804 -5.915 1.00 25.04 H new ATOM 0 HG2 GLU A 13 6.348 -13.396 -6.161 1.00 41.15 H new ATOM 0 HG3 GLU A 13 5.881 -11.721 -6.384 1.00 41.15 H new ATOM 216 N ALA A 14 5.463 -10.791 -4.025 1.00 74.22 N ATOM 217 CA ALA A 14 4.395 -9.785 -3.896 1.00 53.24 C ATOM 218 C ALA A 14 4.768 -8.714 -2.859 1.00 44.51 C ATOM 219 O ALA A 14 4.481 -7.528 -3.041 1.00 0.50 O ATOM 220 CB ALA A 14 3.075 -10.450 -3.520 1.00 52.25 C ATOM 0 H ALA A 14 5.156 -11.752 -3.875 1.00 74.22 H new ATOM 0 HA ALA A 14 4.276 -9.296 -4.863 1.00 53.24 H new ATOM 0 HB1 ALA A 14 2.298 -9.691 -3.429 1.00 52.25 H new ATOM 0 HB2 ALA A 14 2.795 -11.165 -4.293 1.00 52.25 H new ATOM 0 HB3 ALA A 14 3.187 -10.970 -2.568 1.00 52.25 H new ATOM 226 N PHE A 15 5.423 -9.150 -1.780 1.00 3.52 N ATOM 227 CA PHE A 15 5.945 -8.241 -0.753 1.00 13.10 C ATOM 228 C PHE A 15 6.839 -7.155 -1.380 1.00 2.51 C ATOM 229 O PHE A 15 6.639 -5.958 -1.163 1.00 61.35 O ATOM 230 CB PHE A 15 6.743 -9.050 0.288 1.00 33.43 C ATOM 231 CG PHE A 15 7.416 -8.220 1.359 1.00 11.04 C ATOM 232 CD1 PHE A 15 6.752 -7.905 2.537 1.00 32.45 C ATOM 233 CD2 PHE A 15 8.717 -7.756 1.190 1.00 61.50 C ATOM 234 CE1 PHE A 15 7.366 -7.148 3.516 1.00 44.02 C ATOM 235 CE2 PHE A 15 9.334 -6.998 2.170 1.00 5.13 C ATOM 236 CZ PHE A 15 8.656 -6.694 3.334 1.00 24.33 C ATOM 0 H PHE A 15 5.606 -10.136 -1.593 1.00 3.52 H new ATOM 0 HA PHE A 15 5.106 -7.745 -0.265 1.00 13.10 H new ATOM 0 HB2 PHE A 15 6.070 -9.760 0.768 1.00 33.43 H new ATOM 0 HB3 PHE A 15 7.504 -9.633 -0.231 1.00 33.43 H new ATOM 0 HD1 PHE A 15 5.742 -8.256 2.690 1.00 32.45 H new ATOM 0 HD2 PHE A 15 9.252 -7.991 0.282 1.00 61.50 H new ATOM 0 HE1 PHE A 15 6.835 -6.911 4.426 1.00 44.02 H new ATOM 0 HE2 PHE A 15 10.344 -6.645 2.025 1.00 5.13 H new ATOM 0 HZ PHE A 15 9.135 -6.102 4.100 1.00 24.33 H new ATOM 246 N GLU A 16 7.814 -7.595 -2.174 1.00 34.34 N ATOM 247 CA GLU A 16 8.773 -6.690 -2.814 1.00 1.24 C ATOM 248 C GLU A 16 8.113 -5.830 -3.906 1.00 33.44 C ATOM 249 O GLU A 16 8.202 -4.606 -3.878 1.00 35.33 O ATOM 250 CB GLU A 16 9.927 -7.495 -3.431 1.00 70.41 C ATOM 251 CG GLU A 16 10.972 -6.626 -4.125 1.00 30.50 C ATOM 252 CD GLU A 16 11.963 -7.432 -4.948 1.00 55.15 C ATOM 253 OE1 GLU A 16 11.681 -7.688 -6.139 1.00 4.44 O ATOM 254 OE2 GLU A 16 13.032 -7.800 -4.416 1.00 14.12 O ATOM 0 H GLU A 16 7.963 -8.580 -2.392 1.00 34.34 H new ATOM 0 HA GLU A 16 9.154 -6.022 -2.041 1.00 1.24 H new ATOM 0 HB2 GLU A 16 10.412 -8.078 -2.648 1.00 70.41 H new ATOM 0 HB3 GLU A 16 9.520 -8.205 -4.151 1.00 70.41 H new ATOM 0 HG2 GLU A 16 10.468 -5.909 -4.773 1.00 30.50 H new ATOM 0 HG3 GLU A 16 11.514 -6.051 -3.375 1.00 30.50 H new ATOM 261 N LYS A 17 7.447 -6.485 -4.858 1.00 2.44 N ATOM 262 CA LYS A 17 6.875 -5.803 -6.029 1.00 63.13 C ATOM 263 C LYS A 17 5.915 -4.666 -5.634 1.00 54.22 C ATOM 264 O LYS A 17 6.000 -3.558 -6.174 1.00 52.45 O ATOM 265 CB LYS A 17 6.151 -6.817 -6.932 1.00 43.30 C ATOM 266 CG LYS A 17 7.043 -7.959 -7.422 1.00 23.31 C ATOM 267 CD LYS A 17 8.242 -7.448 -8.217 1.00 40.23 C ATOM 268 CE LYS A 17 9.181 -8.577 -8.630 1.00 23.44 C ATOM 269 NZ LYS A 17 8.536 -9.536 -9.567 1.00 44.43 N ATOM 0 H LYS A 17 7.288 -7.492 -4.844 1.00 2.44 H new ATOM 0 HA LYS A 17 7.703 -5.352 -6.576 1.00 63.13 H new ATOM 0 HB2 LYS A 17 5.307 -7.237 -6.385 1.00 43.30 H new ATOM 0 HB3 LYS A 17 5.742 -6.292 -7.796 1.00 43.30 H new ATOM 0 HG2 LYS A 17 7.395 -8.537 -6.567 1.00 23.31 H new ATOM 0 HG3 LYS A 17 6.457 -8.635 -8.044 1.00 23.31 H new ATOM 0 HD2 LYS A 17 7.890 -6.926 -9.107 1.00 40.23 H new ATOM 0 HD3 LYS A 17 8.791 -6.722 -7.617 1.00 40.23 H new ATOM 0 HE2 LYS A 17 10.068 -8.154 -9.101 1.00 23.44 H new ATOM 0 HE3 LYS A 17 9.516 -9.111 -7.741 1.00 23.44 H new ATOM 0 HZ1 LYS A 17 9.257 -10.172 -9.963 1.00 44.43 H new ATOM 0 HZ2 LYS A 17 7.824 -10.095 -9.056 1.00 44.43 H new ATOM 0 HZ3 LYS A 17 8.076 -9.012 -10.338 1.00 44.43 H new ATOM 283 N ALA A 18 5.010 -4.940 -4.693 1.00 1.32 N ATOM 284 CA ALA A 18 4.045 -3.933 -4.234 1.00 2.24 C ATOM 285 C ALA A 18 4.721 -2.826 -3.407 1.00 61.25 C ATOM 286 O ALA A 18 4.595 -1.638 -3.719 1.00 34.42 O ATOM 287 CB ALA A 18 2.937 -4.596 -3.426 1.00 71.43 C ATOM 0 H ALA A 18 4.923 -5.847 -4.234 1.00 1.32 H new ATOM 0 HA ALA A 18 3.613 -3.463 -5.118 1.00 2.24 H new ATOM 0 HB1 ALA A 18 2.228 -3.839 -3.091 1.00 71.43 H new ATOM 0 HB2 ALA A 18 2.421 -5.327 -4.048 1.00 71.43 H new ATOM 0 HB3 ALA A 18 3.369 -5.097 -2.560 1.00 71.43 H new ATOM 293 N LEU A 19 5.443 -3.222 -2.356 1.00 70.14 N ATOM 294 CA LEU A 19 6.127 -2.265 -1.477 1.00 62.41 C ATOM 295 C LEU A 19 7.076 -1.351 -2.269 1.00 52.45 C ATOM 296 O LEU A 19 7.167 -0.151 -2.002 1.00 63.15 O ATOM 297 CB LEU A 19 6.906 -3.018 -0.385 1.00 15.13 C ATOM 298 CG LEU A 19 7.694 -2.141 0.606 1.00 13.42 C ATOM 299 CD1 LEU A 19 6.757 -1.221 1.387 1.00 10.15 C ATOM 300 CD2 LEU A 19 8.513 -3.014 1.558 1.00 3.15 C ATOM 0 H LEU A 19 5.570 -4.199 -2.091 1.00 70.14 H new ATOM 0 HA LEU A 19 5.369 -1.635 -1.012 1.00 62.41 H new ATOM 0 HB2 LEU A 19 6.202 -3.629 0.181 1.00 15.13 H new ATOM 0 HB3 LEU A 19 7.603 -3.701 -0.869 1.00 15.13 H new ATOM 0 HG LEU A 19 8.380 -1.515 0.036 1.00 13.42 H new ATOM 0 HD11 LEU A 19 7.338 -0.613 2.080 1.00 10.15 H new ATOM 0 HD12 LEU A 19 6.223 -0.571 0.693 1.00 10.15 H new ATOM 0 HD13 LEU A 19 6.040 -1.822 1.946 1.00 10.15 H new ATOM 0 HD21 LEU A 19 9.064 -2.379 2.252 1.00 3.15 H new ATOM 0 HD22 LEU A 19 7.845 -3.668 2.118 1.00 3.15 H new ATOM 0 HD23 LEU A 19 9.215 -3.618 0.984 1.00 3.15 H new ATOM 312 N LYS A 20 7.767 -1.921 -3.255 1.00 71.41 N ATOM 313 CA LYS A 20 8.724 -1.165 -4.066 1.00 75.31 C ATOM 314 C LYS A 20 8.030 -0.045 -4.859 1.00 14.50 C ATOM 315 O LYS A 20 8.565 1.054 -4.983 1.00 21.02 O ATOM 316 CB LYS A 20 9.474 -2.100 -5.027 1.00 30.31 C ATOM 317 CG LYS A 20 10.699 -1.466 -5.679 1.00 62.15 C ATOM 318 CD LYS A 20 11.738 -1.050 -4.636 1.00 0.31 C ATOM 319 CE LYS A 20 13.013 -0.515 -5.278 1.00 52.21 C ATOM 320 NZ LYS A 20 13.677 -1.538 -6.128 1.00 52.05 N ATOM 0 H LYS A 20 7.683 -2.904 -3.513 1.00 71.41 H new ATOM 0 HA LYS A 20 9.439 -0.705 -3.384 1.00 75.31 H new ATOM 0 HB2 LYS A 20 9.785 -2.991 -4.482 1.00 30.31 H new ATOM 0 HB3 LYS A 20 8.788 -2.428 -5.808 1.00 30.31 H new ATOM 0 HG2 LYS A 20 11.147 -2.172 -6.378 1.00 62.15 H new ATOM 0 HG3 LYS A 20 10.394 -0.594 -6.258 1.00 62.15 H new ATOM 0 HD2 LYS A 20 11.312 -0.286 -3.985 1.00 0.31 H new ATOM 0 HD3 LYS A 20 11.981 -1.906 -4.006 1.00 0.31 H new ATOM 0 HE2 LYS A 20 12.775 0.360 -5.882 1.00 52.21 H new ATOM 0 HE3 LYS A 20 13.702 -0.187 -4.499 1.00 52.21 H new ATOM 0 HZ1 LYS A 20 14.655 -1.244 -6.324 1.00 52.05 H new ATOM 0 HZ2 LYS A 20 13.683 -2.452 -5.631 1.00 52.05 H new ATOM 0 HZ3 LYS A 20 13.158 -1.635 -7.024 1.00 52.05 H new ATOM 334 N GLU A 21 6.839 -0.329 -5.389 1.00 12.02 N ATOM 335 CA GLU A 21 6.063 0.679 -6.124 1.00 64.04 C ATOM 336 C GLU A 21 5.549 1.779 -5.187 1.00 64.41 C ATOM 337 O GLU A 21 5.585 2.964 -5.527 1.00 22.43 O ATOM 338 CB GLU A 21 4.885 0.032 -6.871 1.00 22.04 C ATOM 339 CG GLU A 21 5.304 -0.860 -8.037 1.00 12.33 C ATOM 340 CD GLU A 21 6.041 -0.100 -9.133 1.00 54.34 C ATOM 341 OE1 GLU A 21 5.423 0.779 -9.774 1.00 3.45 O ATOM 342 OE2 GLU A 21 7.242 -0.373 -9.358 1.00 31.31 O ATOM 0 H GLU A 21 6.390 -1.243 -5.325 1.00 12.02 H new ATOM 0 HA GLU A 21 6.732 1.134 -6.854 1.00 64.04 H new ATOM 0 HB2 GLU A 21 4.302 -0.560 -6.166 1.00 22.04 H new ATOM 0 HB3 GLU A 21 4.230 0.818 -7.246 1.00 22.04 H new ATOM 0 HG2 GLU A 21 5.944 -1.660 -7.664 1.00 12.33 H new ATOM 0 HG3 GLU A 21 4.419 -1.332 -8.462 1.00 12.33 H new ATOM 349 N MET A 22 5.078 1.386 -4.006 1.00 23.11 N ATOM 350 CA MET A 22 4.602 2.351 -3.010 1.00 73.13 C ATOM 351 C MET A 22 5.724 3.322 -2.605 1.00 22.40 C ATOM 352 O MET A 22 5.530 4.539 -2.574 1.00 52.34 O ATOM 353 CB MET A 22 4.063 1.620 -1.774 1.00 64.15 C ATOM 354 CG MET A 22 2.932 0.647 -2.087 1.00 25.23 C ATOM 355 SD MET A 22 1.589 1.413 -3.013 1.00 51.13 S ATOM 356 CE MET A 22 1.076 2.709 -1.884 1.00 1.21 C ATOM 0 H MET A 22 5.015 0.411 -3.713 1.00 23.11 H new ATOM 0 HA MET A 22 3.794 2.930 -3.458 1.00 73.13 H new ATOM 0 HB2 MET A 22 4.879 1.075 -1.299 1.00 64.15 H new ATOM 0 HB3 MET A 22 3.709 2.356 -1.052 1.00 64.15 H new ATOM 0 HG2 MET A 22 3.329 -0.192 -2.658 1.00 25.23 H new ATOM 0 HG3 MET A 22 2.539 0.241 -1.155 1.00 25.23 H new ATOM 0 HE1 MET A 22 0.101 3.091 -2.187 1.00 1.21 H new ATOM 0 HE2 MET A 22 1.009 2.306 -0.873 1.00 1.21 H new ATOM 0 HE3 MET A 22 1.805 3.519 -1.904 1.00 1.21 H new ATOM 366 N ILE A 23 6.902 2.770 -2.307 1.00 63.33 N ATOM 367 CA ILE A 23 8.086 3.582 -1.998 1.00 40.20 C ATOM 368 C ILE A 23 8.520 4.412 -3.221 1.00 53.42 C ATOM 369 O ILE A 23 8.815 5.600 -3.106 1.00 4.14 O ATOM 370 CB ILE A 23 9.267 2.689 -1.530 1.00 23.33 C ATOM 371 CG1 ILE A 23 8.890 1.937 -0.240 1.00 54.40 C ATOM 372 CG2 ILE A 23 10.535 3.519 -1.327 1.00 61.14 C ATOM 373 CD1 ILE A 23 9.976 1.012 0.274 1.00 3.44 C ATOM 0 H ILE A 23 7.064 1.764 -2.273 1.00 63.33 H new ATOM 0 HA ILE A 23 7.814 4.260 -1.189 1.00 40.20 H new ATOM 0 HB ILE A 23 9.472 1.955 -2.310 1.00 23.33 H new ATOM 0 HG12 ILE A 23 8.649 2.664 0.535 1.00 54.40 H new ATOM 0 HG13 ILE A 23 7.987 1.355 -0.422 1.00 54.40 H new ATOM 0 HG21 ILE A 23 11.347 2.869 -0.999 1.00 61.14 H new ATOM 0 HG22 ILE A 23 10.811 3.998 -2.266 1.00 61.14 H new ATOM 0 HG23 ILE A 23 10.353 4.282 -0.570 1.00 61.14 H new ATOM 0 HD11 ILE A 23 9.634 0.520 1.184 1.00 3.44 H new ATOM 0 HD12 ILE A 23 10.202 0.260 -0.482 1.00 3.44 H new ATOM 0 HD13 ILE A 23 10.874 1.590 0.490 1.00 3.44 H new ATOM 385 N ARG A 24 8.538 3.767 -4.385 1.00 4.53 N ATOM 386 CA ARG A 24 8.889 4.413 -5.661 1.00 74.13 C ATOM 387 C ARG A 24 8.111 5.723 -5.876 1.00 1.03 C ATOM 388 O ARG A 24 8.695 6.768 -6.181 1.00 11.04 O ATOM 389 CB ARG A 24 8.592 3.434 -6.806 1.00 23.25 C ATOM 390 CG ARG A 24 8.773 4.002 -8.206 1.00 32.13 C ATOM 391 CD ARG A 24 8.374 2.976 -9.261 1.00 54.13 C ATOM 392 NE ARG A 24 8.502 3.491 -10.620 1.00 23.23 N ATOM 393 CZ ARG A 24 8.197 2.807 -11.689 1.00 53.53 C ATOM 394 NH1 ARG A 24 7.731 1.601 -11.590 1.00 31.34 N ATOM 395 NH2 ARG A 24 8.346 3.338 -12.860 1.00 1.15 N ATOM 0 H ARG A 24 8.310 2.777 -4.477 1.00 4.53 H new ATOM 0 HA ARG A 24 9.949 4.667 -5.640 1.00 74.13 H new ATOM 0 HB2 ARG A 24 9.240 2.565 -6.697 1.00 23.25 H new ATOM 0 HB3 ARG A 24 7.566 3.081 -6.704 1.00 23.25 H new ATOM 0 HG2 ARG A 24 8.168 4.902 -8.320 1.00 32.13 H new ATOM 0 HG3 ARG A 24 9.812 4.296 -8.353 1.00 32.13 H new ATOM 0 HD2 ARG A 24 8.997 2.088 -9.153 1.00 54.13 H new ATOM 0 HD3 ARG A 24 7.343 2.666 -9.089 1.00 54.13 H new ATOM 0 HE ARG A 24 8.850 4.442 -10.742 1.00 23.23 H new ATOM 0 HH11 ARG A 24 7.600 1.179 -10.671 1.00 31.34 H new ATOM 0 HH12 ARG A 24 7.496 1.075 -12.431 1.00 31.34 H new ATOM 0 HH21 ARG A 24 8.701 4.290 -12.947 1.00 1.15 H new ATOM 0 HH22 ARG A 24 8.108 2.804 -13.696 1.00 1.15 H new ATOM 409 N GLN A 25 6.792 5.658 -5.718 1.00 44.41 N ATOM 410 CA GLN A 25 5.932 6.839 -5.854 1.00 23.04 C ATOM 411 C GLN A 25 6.118 7.819 -4.679 1.00 43.35 C ATOM 412 O GLN A 25 6.170 9.036 -4.882 1.00 25.52 O ATOM 413 CB GLN A 25 4.458 6.412 -5.977 1.00 34.24 C ATOM 414 CG GLN A 25 4.008 6.103 -7.410 1.00 4.34 C ATOM 415 CD GLN A 25 4.872 5.071 -8.122 1.00 75.43 C ATOM 416 OE1 GLN A 25 5.845 5.408 -8.791 1.00 23.01 O ATOM 417 NE2 GLN A 25 4.524 3.805 -7.990 1.00 63.33 N ATOM 0 H GLN A 25 6.290 4.799 -5.495 1.00 44.41 H new ATOM 0 HA GLN A 25 6.226 7.363 -6.764 1.00 23.04 H new ATOM 0 HB2 GLN A 25 4.295 5.529 -5.359 1.00 34.24 H new ATOM 0 HB3 GLN A 25 3.827 7.204 -5.574 1.00 34.24 H new ATOM 0 HG2 GLN A 25 2.978 5.746 -7.387 1.00 4.34 H new ATOM 0 HG3 GLN A 25 4.013 7.027 -7.988 1.00 4.34 H new ATOM 0 HE21 GLN A 25 3.710 3.556 -7.428 1.00 63.33 H new ATOM 0 HE22 GLN A 25 5.069 3.076 -8.450 1.00 63.33 H new ATOM 426 N ALA A 26 6.231 7.284 -3.462 1.00 33.52 N ATOM 427 CA ALA A 26 6.408 8.109 -2.257 1.00 2.20 C ATOM 428 C ALA A 26 7.706 8.935 -2.299 1.00 13.04 C ATOM 429 O ALA A 26 7.755 10.051 -1.785 1.00 31.41 O ATOM 430 CB ALA A 26 6.386 7.233 -1.010 1.00 21.33 C ATOM 0 H ALA A 26 6.203 6.281 -3.281 1.00 33.52 H new ATOM 0 HA ALA A 26 5.576 8.812 -2.224 1.00 2.20 H new ATOM 0 HB1 ALA A 26 6.518 7.856 -0.125 1.00 21.33 H new ATOM 0 HB2 ALA A 26 5.430 6.712 -0.948 1.00 21.33 H new ATOM 0 HB3 ALA A 26 7.194 6.503 -1.064 1.00 21.33 H new ATOM 436 N ARG A 27 8.750 8.376 -2.915 1.00 25.34 N ATOM 437 CA ARG A 27 10.043 9.068 -3.066 1.00 0.40 C ATOM 438 C ARG A 27 9.912 10.363 -3.885 1.00 24.41 C ATOM 439 O ARG A 27 10.681 11.306 -3.692 1.00 43.33 O ATOM 440 CB ARG A 27 11.078 8.125 -3.706 1.00 61.32 C ATOM 441 CG ARG A 27 11.544 7.002 -2.773 1.00 12.55 C ATOM 442 CD ARG A 27 12.695 7.431 -1.854 1.00 31.41 C ATOM 443 NE ARG A 27 12.519 8.778 -1.297 1.00 62.11 N ATOM 444 CZ ARG A 27 12.248 9.045 -0.045 1.00 12.24 C ATOM 445 NH1 ARG A 27 12.045 8.096 0.811 1.00 24.44 N ATOM 446 NH2 ARG A 27 12.165 10.276 0.345 1.00 35.34 N ATOM 0 H ARG A 27 8.730 7.441 -3.321 1.00 25.34 H new ATOM 0 HA ARG A 27 10.384 9.350 -2.070 1.00 0.40 H new ATOM 0 HB2 ARG A 27 10.648 7.684 -4.605 1.00 61.32 H new ATOM 0 HB3 ARG A 27 11.944 8.708 -4.020 1.00 61.32 H new ATOM 0 HG2 ARG A 27 10.703 6.670 -2.164 1.00 12.55 H new ATOM 0 HG3 ARG A 27 11.862 6.148 -3.371 1.00 12.55 H new ATOM 0 HD2 ARG A 27 12.785 6.716 -1.036 1.00 31.41 H new ATOM 0 HD3 ARG A 27 13.630 7.395 -2.413 1.00 31.41 H new ATOM 0 HE ARG A 27 12.616 9.567 -1.936 1.00 62.11 H new ATOM 0 HH11 ARG A 27 12.095 7.122 0.514 1.00 24.44 H new ATOM 0 HH12 ARG A 27 11.835 8.322 1.783 1.00 24.44 H new ATOM 0 HH21 ARG A 27 12.311 11.033 -0.323 1.00 35.34 H new ATOM 0 HH22 ARG A 27 11.954 10.489 1.320 1.00 35.34 H new ATOM 460 N LYS A 28 8.940 10.405 -4.799 1.00 53.43 N ATOM 461 CA LYS A 28 8.657 11.620 -5.579 1.00 62.35 C ATOM 462 C LYS A 28 8.035 12.716 -4.694 1.00 61.31 C ATOM 463 O LYS A 28 7.942 13.880 -5.093 1.00 32.44 O ATOM 464 CB LYS A 28 7.714 11.299 -6.748 1.00 75.13 C ATOM 465 CG LYS A 28 8.262 10.257 -7.721 1.00 4.02 C ATOM 466 CD LYS A 28 7.380 10.088 -8.966 1.00 50.20 C ATOM 467 CE LYS A 28 6.021 9.452 -8.662 1.00 50.33 C ATOM 468 NZ LYS A 28 5.120 10.351 -7.890 1.00 62.54 N ATOM 0 H LYS A 28 8.334 9.615 -5.020 1.00 53.43 H new ATOM 0 HA LYS A 28 9.603 11.990 -5.973 1.00 62.35 H new ATOM 0 HB2 LYS A 28 6.764 10.944 -6.348 1.00 75.13 H new ATOM 0 HB3 LYS A 28 7.505 12.218 -7.296 1.00 75.13 H new ATOM 0 HG2 LYS A 28 9.267 10.546 -8.029 1.00 4.02 H new ATOM 0 HG3 LYS A 28 8.349 9.298 -7.209 1.00 4.02 H new ATOM 0 HD2 LYS A 28 7.222 11.063 -9.426 1.00 50.20 H new ATOM 0 HD3 LYS A 28 7.907 9.473 -9.695 1.00 50.20 H new ATOM 0 HE2 LYS A 28 5.536 9.178 -9.599 1.00 50.33 H new ATOM 0 HE3 LYS A 28 6.174 8.530 -8.101 1.00 50.33 H new ATOM 0 HZ1 LYS A 28 4.152 10.276 -8.263 1.00 62.54 H new ATOM 0 HZ2 LYS A 28 5.128 10.073 -6.888 1.00 62.54 H new ATOM 0 HZ3 LYS A 28 5.450 11.333 -7.980 1.00 62.54 H new ATOM 482 N PHE A 29 7.594 12.325 -3.502 1.00 24.12 N ATOM 483 CA PHE A 29 7.014 13.257 -2.529 1.00 42.32 C ATOM 484 C PHE A 29 7.826 13.250 -1.225 1.00 73.05 C ATOM 485 O PHE A 29 8.895 12.642 -1.148 1.00 62.13 O ATOM 486 CB PHE A 29 5.556 12.869 -2.228 1.00 62.55 C ATOM 487 CG PHE A 29 4.671 12.816 -3.449 1.00 32.40 C ATOM 488 CD1 PHE A 29 4.156 13.979 -4.002 1.00 72.04 C ATOM 489 CD2 PHE A 29 4.349 11.601 -4.036 1.00 1.12 C ATOM 490 CE1 PHE A 29 3.340 13.930 -5.118 1.00 22.11 C ATOM 491 CE2 PHE A 29 3.535 11.548 -5.151 1.00 60.33 C ATOM 492 CZ PHE A 29 3.028 12.713 -5.691 1.00 32.33 C ATOM 0 H PHE A 29 7.626 11.358 -3.180 1.00 24.12 H new ATOM 0 HA PHE A 29 7.041 14.259 -2.957 1.00 42.32 H new ATOM 0 HB2 PHE A 29 5.543 11.894 -1.740 1.00 62.55 H new ATOM 0 HB3 PHE A 29 5.139 13.585 -1.520 1.00 62.55 H new ATOM 0 HD1 PHE A 29 4.395 14.933 -3.556 1.00 72.04 H new ATOM 0 HD2 PHE A 29 4.739 10.686 -3.616 1.00 1.12 H new ATOM 0 HE1 PHE A 29 2.947 14.843 -5.541 1.00 22.11 H new ATOM 0 HE2 PHE A 29 3.295 10.595 -5.600 1.00 60.33 H new ATOM 0 HZ PHE A 29 2.388 12.673 -6.560 1.00 32.33 H new ATOM 502 N ALA A 30 7.320 13.929 -0.204 1.00 20.24 N ATOM 503 CA ALA A 30 7.941 13.906 1.126 1.00 71.15 C ATOM 504 C ALA A 30 7.289 12.833 2.018 1.00 34.54 C ATOM 505 O ALA A 30 7.157 13.006 3.231 1.00 64.11 O ATOM 506 CB ALA A 30 7.835 15.287 1.771 1.00 72.03 C ATOM 0 H ALA A 30 6.480 14.505 -0.265 1.00 20.24 H new ATOM 0 HA ALA A 30 8.995 13.650 1.016 1.00 71.15 H new ATOM 0 HB1 ALA A 30 8.297 15.264 2.758 1.00 72.03 H new ATOM 0 HB2 ALA A 30 8.347 16.020 1.147 1.00 72.03 H new ATOM 0 HB3 ALA A 30 6.785 15.563 1.869 1.00 72.03 H new ATOM 512 N GLY A 31 6.917 11.707 1.409 1.00 43.32 N ATOM 513 CA GLY A 31 6.193 10.659 2.124 1.00 73.43 C ATOM 514 C GLY A 31 7.096 9.717 2.922 1.00 72.51 C ATOM 515 O GLY A 31 8.004 9.091 2.371 1.00 54.14 O ATOM 0 H GLY A 31 7.104 11.499 0.428 1.00 43.32 H new ATOM 0 HA2 GLY A 31 5.478 11.123 2.803 1.00 73.43 H new ATOM 0 HA3 GLY A 31 5.618 10.074 1.407 1.00 73.43 H new ATOM 519 N THR A 32 6.849 9.622 4.228 1.00 73.44 N ATOM 520 CA THR A 32 7.579 8.687 5.095 1.00 41.12 C ATOM 521 C THR A 32 6.893 7.315 5.109 1.00 42.32 C ATOM 522 O THR A 32 5.740 7.191 5.528 1.00 14.34 O ATOM 523 CB THR A 32 7.686 9.223 6.543 1.00 13.11 C ATOM 524 OG1 THR A 32 8.433 10.451 6.554 1.00 41.10 O ATOM 525 CG2 THR A 32 8.358 8.212 7.470 1.00 52.03 C ATOM 0 H THR A 32 6.148 10.181 4.714 1.00 73.44 H new ATOM 0 HA THR A 32 8.585 8.586 4.687 1.00 41.12 H new ATOM 0 HB THR A 32 6.674 9.398 6.908 1.00 13.11 H new ATOM 0 HG1 THR A 32 8.496 10.787 7.472 1.00 41.10 H new ATOM 0 HG21 THR A 32 8.415 8.624 8.478 1.00 52.03 H new ATOM 0 HG22 THR A 32 7.776 7.291 7.487 1.00 52.03 H new ATOM 0 HG23 THR A 32 9.364 7.999 7.108 1.00 52.03 H new ATOM 533 N VAL A 33 7.607 6.289 4.645 1.00 4.12 N ATOM 534 CA VAL A 33 7.041 4.941 4.508 1.00 72.43 C ATOM 535 C VAL A 33 7.543 3.983 5.603 1.00 2.02 C ATOM 536 O VAL A 33 8.726 3.973 5.951 1.00 21.11 O ATOM 537 CB VAL A 33 7.384 4.338 3.121 1.00 42.30 C ATOM 538 CG1 VAL A 33 6.733 2.965 2.939 1.00 12.44 C ATOM 539 CG2 VAL A 33 6.964 5.289 1.999 1.00 40.33 C ATOM 0 H VAL A 33 8.582 6.364 4.356 1.00 4.12 H new ATOM 0 HA VAL A 33 5.961 5.049 4.612 1.00 72.43 H new ATOM 0 HB VAL A 33 8.465 4.205 3.072 1.00 42.30 H new ATOM 0 HG11 VAL A 33 6.991 2.567 1.958 1.00 12.44 H new ATOM 0 HG12 VAL A 33 7.093 2.286 3.712 1.00 12.44 H new ATOM 0 HG13 VAL A 33 5.650 3.062 3.018 1.00 12.44 H new ATOM 0 HG21 VAL A 33 7.214 4.847 1.035 1.00 40.33 H new ATOM 0 HG22 VAL A 33 5.889 5.462 2.052 1.00 40.33 H new ATOM 0 HG23 VAL A 33 7.490 6.237 2.110 1.00 40.33 H new ATOM 549 N THR A 34 6.624 3.185 6.138 1.00 64.54 N ATOM 550 CA THR A 34 6.954 2.119 7.093 1.00 43.45 C ATOM 551 C THR A 34 5.921 0.988 7.006 1.00 12.15 C ATOM 552 O THR A 34 4.868 1.151 6.390 1.00 62.12 O ATOM 553 CB THR A 34 7.025 2.636 8.550 1.00 70.14 C ATOM 554 OG1 THR A 34 7.353 1.557 9.441 1.00 23.12 O ATOM 555 CG2 THR A 34 5.707 3.272 8.979 1.00 1.43 C ATOM 0 H THR A 34 5.629 3.255 5.925 1.00 64.54 H new ATOM 0 HA THR A 34 7.941 1.745 6.821 1.00 43.45 H new ATOM 0 HB THR A 34 7.803 3.398 8.596 1.00 70.14 H new ATOM 0 HG1 THR A 34 8.145 1.087 9.107 1.00 23.12 H new ATOM 0 HG21 THR A 34 5.791 3.625 10.007 1.00 1.43 H new ATOM 0 HG22 THR A 34 5.479 4.113 8.324 1.00 1.43 H new ATOM 0 HG23 THR A 34 4.908 2.533 8.913 1.00 1.43 H new ATOM 563 N TYR A 35 6.213 -0.154 7.619 1.00 21.04 N ATOM 564 CA TYR A 35 5.331 -1.324 7.514 1.00 75.13 C ATOM 565 C TYR A 35 5.501 -2.292 8.696 1.00 2.50 C ATOM 566 O TYR A 35 6.528 -2.297 9.379 1.00 10.15 O ATOM 567 CB TYR A 35 5.585 -2.058 6.183 1.00 71.21 C ATOM 568 CG TYR A 35 7.048 -2.369 5.915 1.00 33.25 C ATOM 569 CD1 TYR A 35 7.628 -3.549 6.371 1.00 33.12 C ATOM 570 CD2 TYR A 35 7.851 -1.476 5.210 1.00 13.51 C ATOM 571 CE1 TYR A 35 8.962 -3.828 6.133 1.00 22.43 C ATOM 572 CE2 TYR A 35 9.183 -1.749 4.967 1.00 61.04 C ATOM 573 CZ TYR A 35 9.734 -2.926 5.431 1.00 41.22 C ATOM 574 OH TYR A 35 11.063 -3.200 5.195 1.00 13.12 O ATOM 0 H TYR A 35 7.045 -0.300 8.191 1.00 21.04 H new ATOM 0 HA TYR A 35 4.304 -0.961 7.541 1.00 75.13 H new ATOM 0 HB2 TYR A 35 5.020 -2.990 6.181 1.00 71.21 H new ATOM 0 HB3 TYR A 35 5.198 -1.450 5.365 1.00 71.21 H new ATOM 0 HD1 TYR A 35 7.027 -4.259 6.920 1.00 33.12 H new ATOM 0 HD2 TYR A 35 7.424 -0.553 4.847 1.00 13.51 H new ATOM 0 HE1 TYR A 35 9.397 -4.748 6.495 1.00 22.43 H new ATOM 0 HE2 TYR A 35 9.790 -1.045 4.417 1.00 61.04 H new ATOM 0 HH TYR A 35 11.464 -2.464 4.687 1.00 13.12 H new ATOM 584 N THR A 36 4.477 -3.108 8.929 1.00 4.52 N ATOM 585 CA THR A 36 4.507 -4.131 9.985 1.00 44.53 C ATOM 586 C THR A 36 4.015 -5.485 9.449 1.00 21.23 C ATOM 587 O THR A 36 3.008 -5.556 8.744 1.00 64.54 O ATOM 588 CB THR A 36 3.653 -3.709 11.211 1.00 62.32 C ATOM 589 OG1 THR A 36 3.673 -4.729 12.222 1.00 21.34 O ATOM 590 CG2 THR A 36 2.211 -3.417 10.810 1.00 22.30 C ATOM 0 H THR A 36 3.606 -3.084 8.399 1.00 4.52 H new ATOM 0 HA THR A 36 5.543 -4.232 10.308 1.00 44.53 H new ATOM 0 HB THR A 36 4.093 -2.797 11.613 1.00 62.32 H new ATOM 0 HG1 THR A 36 3.131 -4.443 12.986 1.00 21.34 H new ATOM 0 HG21 THR A 36 1.640 -3.124 11.691 1.00 22.30 H new ATOM 0 HG22 THR A 36 2.193 -2.607 10.081 1.00 22.30 H new ATOM 0 HG23 THR A 36 1.767 -4.311 10.371 1.00 22.30 H new ATOM 598 N LEU A 37 4.749 -6.555 9.759 1.00 21.13 N ATOM 599 CA LEU A 37 4.407 -7.900 9.273 1.00 40.53 C ATOM 600 C LEU A 37 3.620 -8.703 10.321 1.00 73.35 C ATOM 601 O LEU A 37 3.934 -8.673 11.512 1.00 13.21 O ATOM 602 CB LEU A 37 5.680 -8.676 8.878 1.00 0.35 C ATOM 603 CG LEU A 37 6.296 -8.317 7.512 1.00 53.32 C ATOM 604 CD1 LEU A 37 5.297 -8.580 6.387 1.00 54.33 C ATOM 605 CD2 LEU A 37 6.781 -6.870 7.484 1.00 3.52 C ATOM 0 H LEU A 37 5.584 -6.520 10.344 1.00 21.13 H new ATOM 0 HA LEU A 37 3.773 -7.771 8.395 1.00 40.53 H new ATOM 0 HB2 LEU A 37 6.434 -8.513 9.648 1.00 0.35 H new ATOM 0 HB3 LEU A 37 5.447 -9.741 8.880 1.00 0.35 H new ATOM 0 HG LEU A 37 7.164 -8.957 7.357 1.00 53.32 H new ATOM 0 HD11 LEU A 37 5.750 -8.321 5.430 1.00 54.33 H new ATOM 0 HD12 LEU A 37 5.022 -9.635 6.384 1.00 54.33 H new ATOM 0 HD13 LEU A 37 4.405 -7.973 6.543 1.00 54.33 H new ATOM 0 HD21 LEU A 37 7.210 -6.649 6.507 1.00 3.52 H new ATOM 0 HD22 LEU A 37 5.941 -6.201 7.671 1.00 3.52 H new ATOM 0 HD23 LEU A 37 7.539 -6.725 8.254 1.00 3.52 H new ATOM 617 N ASP A 38 2.600 -9.422 9.867 1.00 0.41 N ATOM 618 CA ASP A 38 1.816 -10.290 10.745 1.00 14.44 C ATOM 619 C ASP A 38 1.398 -11.575 10.003 1.00 13.13 C ATOM 620 O ASP A 38 0.348 -11.627 9.354 1.00 10.22 O ATOM 621 CB ASP A 38 0.591 -9.529 11.270 1.00 13.21 C ATOM 622 CG ASP A 38 -0.129 -10.279 12.375 1.00 13.14 C ATOM 623 OD1 ASP A 38 0.447 -10.416 13.474 1.00 55.14 O ATOM 624 OD2 ASP A 38 -1.265 -10.738 12.150 1.00 70.22 O ATOM 0 H ASP A 38 2.294 -9.423 8.894 1.00 0.41 H new ATOM 0 HA ASP A 38 2.430 -10.584 11.596 1.00 14.44 H new ATOM 0 HB2 ASP A 38 0.905 -8.554 11.642 1.00 13.21 H new ATOM 0 HB3 ASP A 38 -0.101 -9.349 10.447 1.00 13.21 H new ATOM 629 N GLY A 39 2.247 -12.599 10.079 1.00 34.11 N ATOM 630 CA GLY A 39 2.008 -13.840 9.346 1.00 41.23 C ATOM 631 C GLY A 39 2.100 -13.652 7.831 1.00 42.21 C ATOM 632 O GLY A 39 3.194 -13.618 7.264 1.00 33.12 O ATOM 0 H GLY A 39 3.101 -12.594 10.637 1.00 34.11 H new ATOM 0 HA2 GLY A 39 2.734 -14.590 9.661 1.00 41.23 H new ATOM 0 HA3 GLY A 39 1.021 -14.225 9.602 1.00 41.23 H new ATOM 636 N ASN A 40 0.947 -13.522 7.178 1.00 45.12 N ATOM 637 CA ASN A 40 0.889 -13.254 5.735 1.00 64.02 C ATOM 638 C ASN A 40 0.290 -11.863 5.449 1.00 73.41 C ATOM 639 O ASN A 40 -0.042 -11.541 4.310 1.00 0.43 O ATOM 640 CB ASN A 40 0.080 -14.357 5.030 1.00 1.22 C ATOM 641 CG ASN A 40 -1.271 -14.593 5.678 1.00 42.42 C ATOM 642 OD1 ASN A 40 -2.273 -14.003 5.296 1.00 64.40 O ATOM 643 ND2 ASN A 40 -1.306 -15.452 6.675 1.00 15.31 N ATOM 0 H ASN A 40 0.033 -13.598 7.625 1.00 45.12 H new ATOM 0 HA ASN A 40 1.905 -13.258 5.341 1.00 64.02 H new ATOM 0 HB2 ASN A 40 -0.065 -14.084 3.985 1.00 1.22 H new ATOM 0 HB3 ASN A 40 0.651 -15.285 5.041 1.00 1.22 H new ATOM 0 HD21 ASN A 40 -2.186 -15.642 7.153 1.00 15.31 H new ATOM 0 HD22 ASN A 40 -0.453 -15.927 6.969 1.00 15.31 H new ATOM 650 N ASP A 41 0.174 -11.038 6.493 1.00 11.31 N ATOM 651 CA ASP A 41 -0.378 -9.683 6.367 1.00 25.51 C ATOM 652 C ASP A 41 0.735 -8.620 6.415 1.00 43.41 C ATOM 653 O ASP A 41 1.590 -8.639 7.306 1.00 55.12 O ATOM 654 CB ASP A 41 -1.400 -9.436 7.486 1.00 53.23 C ATOM 655 CG ASP A 41 -2.004 -8.044 7.440 1.00 52.02 C ATOM 656 OD1 ASP A 41 -2.524 -7.651 6.378 1.00 14.13 O ATOM 657 OD2 ASP A 41 -1.977 -7.342 8.476 1.00 44.34 O ATOM 0 H ASP A 41 0.456 -11.285 7.441 1.00 11.31 H new ATOM 0 HA ASP A 41 -0.873 -9.601 5.400 1.00 25.51 H new ATOM 0 HB2 ASP A 41 -2.198 -10.175 7.412 1.00 53.23 H new ATOM 0 HB3 ASP A 41 -0.917 -9.585 8.452 1.00 53.23 H new ATOM 662 N LEU A 42 0.720 -7.705 5.447 1.00 1.51 N ATOM 663 CA LEU A 42 1.697 -6.611 5.377 1.00 71.14 C ATOM 664 C LEU A 42 1.003 -5.239 5.423 1.00 41.34 C ATOM 665 O LEU A 42 0.537 -4.732 4.401 1.00 34.22 O ATOM 666 CB LEU A 42 2.534 -6.736 4.090 1.00 44.43 C ATOM 667 CG LEU A 42 3.454 -5.542 3.770 1.00 41.14 C ATOM 668 CD1 LEU A 42 4.525 -5.366 4.843 1.00 41.14 C ATOM 669 CD2 LEU A 42 4.081 -5.698 2.386 1.00 41.34 C ATOM 0 H LEU A 42 0.035 -7.698 4.691 1.00 1.51 H new ATOM 0 HA LEU A 42 2.353 -6.686 6.244 1.00 71.14 H new ATOM 0 HB2 LEU A 42 3.148 -7.634 4.164 1.00 44.43 H new ATOM 0 HB3 LEU A 42 1.855 -6.882 3.250 1.00 44.43 H new ATOM 0 HG LEU A 42 2.843 -4.639 3.765 1.00 41.14 H new ATOM 0 HD11 LEU A 42 5.158 -4.516 4.589 1.00 41.14 H new ATOM 0 HD12 LEU A 42 4.048 -5.188 5.807 1.00 41.14 H new ATOM 0 HD13 LEU A 42 5.134 -6.268 4.900 1.00 41.14 H new ATOM 0 HD21 LEU A 42 4.727 -4.844 2.181 1.00 41.34 H new ATOM 0 HD22 LEU A 42 4.670 -6.614 2.355 1.00 41.34 H new ATOM 0 HD23 LEU A 42 3.294 -5.747 1.633 1.00 41.34 H new ATOM 681 N GLU A 43 0.933 -4.645 6.612 1.00 54.15 N ATOM 682 CA GLU A 43 0.306 -3.326 6.784 1.00 65.41 C ATOM 683 C GLU A 43 1.327 -2.200 6.548 1.00 4.33 C ATOM 684 O GLU A 43 2.242 -1.998 7.351 1.00 44.41 O ATOM 685 CB GLU A 43 -0.317 -3.213 8.187 1.00 65.22 C ATOM 686 CG GLU A 43 -1.111 -1.928 8.418 1.00 70.44 C ATOM 687 CD GLU A 43 -1.804 -1.903 9.775 1.00 43.24 C ATOM 688 OE1 GLU A 43 -1.166 -1.497 10.768 1.00 33.51 O ATOM 689 OE2 GLU A 43 -2.987 -2.299 9.861 1.00 2.14 O ATOM 0 H GLU A 43 1.300 -5.051 7.473 1.00 54.15 H new ATOM 0 HA GLU A 43 -0.486 -3.220 6.043 1.00 65.41 H new ATOM 0 HB2 GLU A 43 -0.974 -4.067 8.350 1.00 65.22 H new ATOM 0 HB3 GLU A 43 0.477 -3.275 8.931 1.00 65.22 H new ATOM 0 HG2 GLU A 43 -0.440 -1.072 8.341 1.00 70.44 H new ATOM 0 HG3 GLU A 43 -1.857 -1.820 7.631 1.00 70.44 H new ATOM 696 N ILE A 44 1.176 -1.482 5.432 1.00 11.22 N ATOM 697 CA ILE A 44 2.122 -0.426 5.042 1.00 44.53 C ATOM 698 C ILE A 44 1.577 0.980 5.358 1.00 30.21 C ATOM 699 O ILE A 44 0.583 1.415 4.780 1.00 72.23 O ATOM 700 CB ILE A 44 2.446 -0.501 3.527 1.00 25.33 C ATOM 701 CG1 ILE A 44 2.936 -1.908 3.144 1.00 41.31 C ATOM 702 CG2 ILE A 44 3.487 0.557 3.147 1.00 50.11 C ATOM 703 CD1 ILE A 44 3.155 -2.095 1.654 1.00 72.33 C ATOM 0 H ILE A 44 0.404 -1.612 4.778 1.00 11.22 H new ATOM 0 HA ILE A 44 3.028 -0.594 5.624 1.00 44.53 H new ATOM 0 HB ILE A 44 1.531 -0.297 2.971 1.00 25.33 H new ATOM 0 HG12 ILE A 44 3.870 -2.113 3.668 1.00 41.31 H new ATOM 0 HG13 ILE A 44 2.209 -2.643 3.490 1.00 41.31 H new ATOM 0 HG21 ILE A 44 3.702 0.489 2.081 1.00 50.11 H new ATOM 0 HG22 ILE A 44 3.098 1.549 3.377 1.00 50.11 H new ATOM 0 HG23 ILE A 44 4.403 0.386 3.713 1.00 50.11 H new ATOM 0 HD11 ILE A 44 3.500 -3.111 1.462 1.00 72.33 H new ATOM 0 HD12 ILE A 44 2.218 -1.923 1.124 1.00 72.33 H new ATOM 0 HD13 ILE A 44 3.905 -1.385 1.305 1.00 72.33 H new ATOM 715 N ARG A 45 2.240 1.685 6.268 1.00 63.34 N ATOM 716 CA ARG A 45 1.883 3.069 6.601 1.00 41.12 C ATOM 717 C ARG A 45 2.738 4.070 5.804 1.00 61.23 C ATOM 718 O ARG A 45 3.967 4.073 5.894 1.00 55.22 O ATOM 719 CB ARG A 45 2.032 3.301 8.123 1.00 1.11 C ATOM 720 CG ARG A 45 2.388 4.736 8.540 1.00 34.24 C ATOM 721 CD ARG A 45 1.389 5.782 8.044 1.00 65.44 C ATOM 722 NE ARG A 45 0.083 5.685 8.686 1.00 25.12 N ATOM 723 CZ ARG A 45 -0.491 6.671 9.312 1.00 34.14 C ATOM 724 NH1 ARG A 45 0.117 7.808 9.446 1.00 64.12 N ATOM 725 NH2 ARG A 45 -1.680 6.524 9.791 1.00 53.14 N ATOM 0 H ARG A 45 3.034 1.322 6.795 1.00 63.34 H new ATOM 0 HA ARG A 45 0.842 3.235 6.323 1.00 41.12 H new ATOM 0 HB2 ARG A 45 1.097 3.021 8.609 1.00 1.11 H new ATOM 0 HB3 ARG A 45 2.802 2.629 8.502 1.00 1.11 H new ATOM 0 HG2 ARG A 45 2.444 4.786 9.627 1.00 34.24 H new ATOM 0 HG3 ARG A 45 3.379 4.982 8.158 1.00 34.24 H new ATOM 0 HD2 ARG A 45 1.799 6.777 8.219 1.00 65.44 H new ATOM 0 HD3 ARG A 45 1.265 5.673 6.967 1.00 65.44 H new ATOM 0 HE ARG A 45 -0.409 4.793 8.642 1.00 25.12 H new ATOM 0 HH11 ARG A 45 1.052 7.935 9.059 1.00 64.12 H new ATOM 0 HH12 ARG A 45 -0.340 8.576 9.938 1.00 64.12 H new ATOM 0 HH21 ARG A 45 -2.169 5.636 9.679 1.00 53.14 H new ATOM 0 HH22 ARG A 45 -2.131 7.296 10.282 1.00 53.14 H new ATOM 739 N ILE A 46 2.072 4.925 5.026 1.00 22.31 N ATOM 740 CA ILE A 46 2.744 6.024 4.325 1.00 12.22 C ATOM 741 C ILE A 46 2.150 7.383 4.746 1.00 63.01 C ATOM 742 O ILE A 46 0.984 7.676 4.475 1.00 52.43 O ATOM 743 CB ILE A 46 2.635 5.874 2.786 1.00 24.04 C ATOM 744 CG1 ILE A 46 3.136 4.487 2.343 1.00 74.02 C ATOM 745 CG2 ILE A 46 3.424 6.980 2.084 1.00 32.01 C ATOM 746 CD1 ILE A 46 3.050 4.252 0.850 1.00 33.24 C ATOM 0 H ILE A 46 1.066 4.878 4.864 1.00 22.31 H new ATOM 0 HA ILE A 46 3.797 5.983 4.604 1.00 12.22 H new ATOM 0 HB ILE A 46 1.586 5.967 2.503 1.00 24.04 H new ATOM 0 HG12 ILE A 46 4.172 4.367 2.661 1.00 74.02 H new ATOM 0 HG13 ILE A 46 2.555 3.721 2.856 1.00 74.02 H new ATOM 0 HG21 ILE A 46 3.337 6.860 1.004 1.00 32.01 H new ATOM 0 HG22 ILE A 46 3.025 7.952 2.374 1.00 32.01 H new ATOM 0 HG23 ILE A 46 4.473 6.918 2.372 1.00 32.01 H new ATOM 0 HD11 ILE A 46 3.421 3.254 0.617 1.00 33.24 H new ATOM 0 HD12 ILE A 46 2.012 4.338 0.527 1.00 33.24 H new ATOM 0 HD13 ILE A 46 3.655 4.995 0.329 1.00 33.24 H new ATOM 758 N THR A 47 2.955 8.201 5.425 1.00 20.01 N ATOM 759 CA THR A 47 2.507 9.522 5.897 1.00 41.54 C ATOM 760 C THR A 47 3.101 10.650 5.046 1.00 55.22 C ATOM 761 O THR A 47 4.297 10.656 4.756 1.00 31.23 O ATOM 762 CB THR A 47 2.909 9.763 7.376 1.00 14.41 C ATOM 763 OG1 THR A 47 2.387 8.721 8.214 1.00 22.41 O ATOM 764 CG2 THR A 47 2.402 11.113 7.876 1.00 32.24 C ATOM 0 H THR A 47 3.921 7.977 5.663 1.00 20.01 H new ATOM 0 HA THR A 47 1.421 9.529 5.808 1.00 41.54 H new ATOM 0 HB THR A 47 3.998 9.759 7.424 1.00 14.41 H new ATOM 0 HG1 THR A 47 3.123 8.290 8.697 1.00 22.41 H new ATOM 0 HG21 THR A 47 2.700 11.251 8.915 1.00 32.24 H new ATOM 0 HG22 THR A 47 2.828 11.910 7.267 1.00 32.24 H new ATOM 0 HG23 THR A 47 1.315 11.143 7.803 1.00 32.24 H new ATOM 772 N GLY A 48 2.262 11.606 4.646 1.00 14.12 N ATOM 773 CA GLY A 48 2.745 12.761 3.889 1.00 63.22 C ATOM 774 C GLY A 48 2.185 12.845 2.473 1.00 52.31 C ATOM 775 O GLY A 48 2.346 13.863 1.798 1.00 40.41 O ATOM 0 H GLY A 48 1.259 11.605 4.830 1.00 14.12 H new ATOM 0 HA2 GLY A 48 2.484 13.672 4.428 1.00 63.22 H new ATOM 0 HA3 GLY A 48 3.833 12.721 3.838 1.00 63.22 H new ATOM 779 N VAL A 49 1.524 11.781 2.022 1.00 74.43 N ATOM 780 CA VAL A 49 0.930 11.750 0.680 1.00 71.54 C ATOM 781 C VAL A 49 -0.181 12.811 0.523 1.00 1.33 C ATOM 782 O VAL A 49 -1.029 12.970 1.401 1.00 72.24 O ATOM 783 CB VAL A 49 0.366 10.344 0.342 1.00 51.34 C ATOM 784 CG1 VAL A 49 1.501 9.328 0.221 1.00 63.03 C ATOM 785 CG2 VAL A 49 -0.652 9.893 1.391 1.00 61.01 C ATOM 0 H VAL A 49 1.384 10.928 2.563 1.00 74.43 H new ATOM 0 HA VAL A 49 1.730 11.983 -0.022 1.00 71.54 H new ATOM 0 HB VAL A 49 -0.147 10.407 -0.618 1.00 51.34 H new ATOM 0 HG11 VAL A 49 1.088 8.348 -0.016 1.00 63.03 H new ATOM 0 HG12 VAL A 49 2.182 9.636 -0.572 1.00 63.03 H new ATOM 0 HG13 VAL A 49 2.043 9.274 1.165 1.00 63.03 H new ATOM 0 HG21 VAL A 49 -1.031 8.905 1.129 1.00 61.01 H new ATOM 0 HG22 VAL A 49 -0.172 9.850 2.369 1.00 61.01 H new ATOM 0 HG23 VAL A 49 -1.479 10.602 1.423 1.00 61.01 H new ATOM 795 N PRO A 50 -0.176 13.570 -0.592 1.00 10.43 N ATOM 796 CA PRO A 50 -1.164 14.642 -0.834 1.00 5.15 C ATOM 797 C PRO A 50 -2.590 14.120 -1.093 1.00 73.32 C ATOM 798 O PRO A 50 -2.777 13.048 -1.677 1.00 71.31 O ATOM 799 CB PRO A 50 -0.624 15.364 -2.087 1.00 24.42 C ATOM 800 CG PRO A 50 0.771 14.851 -2.274 1.00 72.15 C ATOM 801 CD PRO A 50 0.790 13.466 -1.694 1.00 22.45 C ATOM 0 HA PRO A 50 -1.264 15.283 0.042 1.00 5.15 H new ATOM 0 HB2 PRO A 50 -1.241 15.150 -2.960 1.00 24.42 H new ATOM 0 HB3 PRO A 50 -0.629 16.445 -1.950 1.00 24.42 H new ATOM 0 HG2 PRO A 50 1.041 14.834 -3.330 1.00 72.15 H new ATOM 0 HG3 PRO A 50 1.493 15.494 -1.770 1.00 72.15 H new ATOM 0 HD2 PRO A 50 0.492 12.715 -2.426 1.00 22.45 H new ATOM 0 HD3 PRO A 50 1.782 13.188 -1.339 1.00 22.45 H new ATOM 809 N GLU A 51 -3.583 14.905 -0.667 1.00 41.31 N ATOM 810 CA GLU A 51 -5.006 14.577 -0.855 1.00 33.54 C ATOM 811 C GLU A 51 -5.319 14.117 -2.291 1.00 11.51 C ATOM 812 O GLU A 51 -5.900 13.054 -2.499 1.00 64.44 O ATOM 813 CB GLU A 51 -5.860 15.807 -0.516 1.00 21.44 C ATOM 814 CG GLU A 51 -7.361 15.614 -0.734 1.00 30.43 C ATOM 815 CD GLU A 51 -8.141 16.910 -0.575 1.00 33.33 C ATOM 816 OE1 GLU A 51 -8.205 17.693 -1.548 1.00 63.51 O ATOM 817 OE2 GLU A 51 -8.672 17.167 0.525 1.00 23.51 O ATOM 0 H GLU A 51 -3.427 15.788 -0.181 1.00 41.31 H new ATOM 0 HA GLU A 51 -5.243 13.748 -0.188 1.00 33.54 H new ATOM 0 HB2 GLU A 51 -5.688 16.077 0.526 1.00 21.44 H new ATOM 0 HB3 GLU A 51 -5.522 16.647 -1.123 1.00 21.44 H new ATOM 0 HG2 GLU A 51 -7.532 15.211 -1.732 1.00 30.43 H new ATOM 0 HG3 GLU A 51 -7.737 14.877 -0.024 1.00 30.43 H new ATOM 824 N GLN A 52 -4.921 14.919 -3.277 1.00 34.32 N ATOM 825 CA GLN A 52 -5.216 14.623 -4.688 1.00 74.13 C ATOM 826 C GLN A 52 -4.640 13.264 -5.139 1.00 54.43 C ATOM 827 O GLN A 52 -5.200 12.601 -6.013 1.00 33.25 O ATOM 828 CB GLN A 52 -4.671 15.745 -5.583 1.00 4.13 C ATOM 829 CG GLN A 52 -3.151 15.882 -5.552 1.00 35.41 C ATOM 830 CD GLN A 52 -2.641 17.056 -6.371 1.00 54.12 C ATOM 831 OE1 GLN A 52 -3.251 17.462 -7.356 1.00 73.13 O ATOM 832 NE2 GLN A 52 -1.511 17.604 -5.980 1.00 31.34 N ATOM 0 H GLN A 52 -4.393 15.780 -3.131 1.00 34.32 H new ATOM 0 HA GLN A 52 -6.300 14.563 -4.786 1.00 74.13 H new ATOM 0 HB2 GLN A 52 -4.988 15.563 -6.610 1.00 4.13 H new ATOM 0 HB3 GLN A 52 -5.117 16.691 -5.275 1.00 4.13 H new ATOM 0 HG2 GLN A 52 -2.824 15.998 -4.519 1.00 35.41 H new ATOM 0 HG3 GLN A 52 -2.702 14.963 -5.927 1.00 35.41 H new ATOM 0 HE21 GLN A 52 -1.028 17.244 -5.157 1.00 31.34 H new ATOM 0 HE22 GLN A 52 -1.118 18.389 -6.500 1.00 31.34 H new ATOM 841 N VAL A 53 -3.529 12.850 -4.531 1.00 23.32 N ATOM 842 CA VAL A 53 -2.846 11.608 -4.919 1.00 52.44 C ATOM 843 C VAL A 53 -3.544 10.364 -4.325 1.00 42.22 C ATOM 844 O VAL A 53 -3.328 9.239 -4.784 1.00 44.31 O ATOM 845 CB VAL A 53 -1.354 11.651 -4.492 1.00 33.02 C ATOM 846 CG1 VAL A 53 -0.597 10.416 -4.976 1.00 22.42 C ATOM 847 CG2 VAL A 53 -0.692 12.926 -5.018 1.00 34.52 C ATOM 0 H VAL A 53 -3.079 13.354 -3.767 1.00 23.32 H new ATOM 0 HA VAL A 53 -2.898 11.528 -6.005 1.00 52.44 H new ATOM 0 HB VAL A 53 -1.316 11.654 -3.403 1.00 33.02 H new ATOM 0 HG11 VAL A 53 0.444 10.480 -4.659 1.00 22.42 H new ATOM 0 HG12 VAL A 53 -1.051 9.521 -4.551 1.00 22.42 H new ATOM 0 HG13 VAL A 53 -0.643 10.364 -6.064 1.00 22.42 H new ATOM 0 HG21 VAL A 53 0.354 12.945 -4.712 1.00 34.52 H new ATOM 0 HG22 VAL A 53 -0.753 12.945 -6.106 1.00 34.52 H new ATOM 0 HG23 VAL A 53 -1.205 13.797 -4.611 1.00 34.52 H new ATOM 857 N ARG A 54 -4.400 10.587 -3.325 1.00 15.41 N ATOM 858 CA ARG A 54 -5.215 9.521 -2.708 1.00 11.52 C ATOM 859 C ARG A 54 -5.891 8.629 -3.766 1.00 73.21 C ATOM 860 O ARG A 54 -5.996 7.409 -3.598 1.00 20.10 O ATOM 861 CB ARG A 54 -6.280 10.172 -1.804 1.00 13.12 C ATOM 862 CG ARG A 54 -7.398 9.244 -1.323 1.00 42.13 C ATOM 863 CD ARG A 54 -6.877 8.097 -0.467 1.00 12.33 C ATOM 864 NE ARG A 54 -7.969 7.289 0.079 1.00 20.22 N ATOM 865 CZ ARG A 54 -8.441 6.211 -0.489 1.00 72.41 C ATOM 866 NH1 ARG A 54 -8.004 5.834 -1.643 1.00 75.35 N ATOM 867 NH2 ARG A 54 -9.377 5.527 0.085 1.00 62.31 N ATOM 0 H ARG A 54 -4.552 11.509 -2.916 1.00 15.41 H new ATOM 0 HA ARG A 54 -4.559 8.880 -2.120 1.00 11.52 H new ATOM 0 HB2 ARG A 54 -5.781 10.593 -0.931 1.00 13.12 H new ATOM 0 HB3 ARG A 54 -6.731 11.004 -2.345 1.00 13.12 H new ATOM 0 HG2 ARG A 54 -8.123 9.821 -0.749 1.00 42.13 H new ATOM 0 HG3 ARG A 54 -7.925 8.838 -2.186 1.00 42.13 H new ATOM 0 HD2 ARG A 54 -6.221 7.465 -1.066 1.00 12.33 H new ATOM 0 HD3 ARG A 54 -6.276 8.496 0.350 1.00 12.33 H new ATOM 0 HE ARG A 54 -8.388 7.587 0.960 1.00 20.22 H new ATOM 0 HH11 ARG A 54 -7.285 6.379 -2.119 1.00 75.35 H new ATOM 0 HH12 ARG A 54 -8.378 4.991 -2.079 1.00 75.35 H new ATOM 0 HH21 ARG A 54 -9.750 5.828 0.985 1.00 62.31 H new ATOM 0 HH22 ARG A 54 -9.742 4.686 -0.363 1.00 62.31 H new ATOM 881 N LYS A 55 -6.331 9.260 -4.848 1.00 2.34 N ATOM 882 CA LYS A 55 -7.042 8.577 -5.935 1.00 33.43 C ATOM 883 C LYS A 55 -6.136 7.570 -6.673 1.00 35.51 C ATOM 884 O LYS A 55 -6.463 6.385 -6.786 1.00 13.40 O ATOM 885 CB LYS A 55 -7.573 9.633 -6.914 1.00 14.33 C ATOM 886 CG LYS A 55 -8.434 10.702 -6.241 1.00 11.04 C ATOM 887 CD LYS A 55 -8.641 11.925 -7.134 1.00 61.45 C ATOM 888 CE LYS A 55 -9.388 11.585 -8.417 1.00 13.40 C ATOM 889 NZ LYS A 55 -9.579 12.782 -9.277 1.00 74.50 N ATOM 0 H LYS A 55 -6.207 10.261 -5.002 1.00 2.34 H new ATOM 0 HA LYS A 55 -7.867 8.008 -5.508 1.00 33.43 H new ATOM 0 HB2 LYS A 55 -6.731 10.114 -7.411 1.00 14.33 H new ATOM 0 HB3 LYS A 55 -8.159 9.138 -7.688 1.00 14.33 H new ATOM 0 HG2 LYS A 55 -9.403 10.275 -5.982 1.00 11.04 H new ATOM 0 HG3 LYS A 55 -7.963 11.011 -5.308 1.00 11.04 H new ATOM 0 HD2 LYS A 55 -9.196 12.684 -6.583 1.00 61.45 H new ATOM 0 HD3 LYS A 55 -7.672 12.357 -7.384 1.00 61.45 H new ATOM 0 HE2 LYS A 55 -8.835 10.825 -8.969 1.00 13.40 H new ATOM 0 HE3 LYS A 55 -10.359 11.156 -8.170 1.00 13.40 H new ATOM 0 HZ1 LYS A 55 -10.091 12.511 -10.141 1.00 74.50 H new ATOM 0 HZ2 LYS A 55 -10.128 13.497 -8.759 1.00 74.50 H new ATOM 0 HZ3 LYS A 55 -8.652 13.176 -9.534 1.00 74.50 H new ATOM 903 N GLU A 56 -4.990 8.048 -7.162 1.00 54.52 N ATOM 904 CA GLU A 56 -4.050 7.204 -7.916 1.00 24.32 C ATOM 905 C GLU A 56 -3.465 6.078 -7.048 1.00 34.03 C ATOM 906 O GLU A 56 -3.258 4.961 -7.524 1.00 13.14 O ATOM 907 CB GLU A 56 -2.917 8.060 -8.508 1.00 3.15 C ATOM 908 CG GLU A 56 -3.375 9.022 -9.603 1.00 2.54 C ATOM 909 CD GLU A 56 -3.976 8.302 -10.808 1.00 31.51 C ATOM 910 OE1 GLU A 56 -3.225 7.612 -11.533 1.00 4.33 O ATOM 911 OE2 GLU A 56 -5.201 8.418 -11.032 1.00 44.51 O ATOM 0 H GLU A 56 -4.687 9.016 -7.051 1.00 54.52 H new ATOM 0 HA GLU A 56 -4.610 6.738 -8.727 1.00 24.32 H new ATOM 0 HB2 GLU A 56 -2.451 8.633 -7.706 1.00 3.15 H new ATOM 0 HB3 GLU A 56 -2.151 7.400 -8.915 1.00 3.15 H new ATOM 0 HG2 GLU A 56 -4.113 9.710 -9.191 1.00 2.54 H new ATOM 0 HG3 GLU A 56 -2.527 9.623 -9.930 1.00 2.54 H new ATOM 918 N LEU A 57 -3.201 6.375 -5.773 1.00 22.35 N ATOM 919 CA LEU A 57 -2.676 5.371 -4.835 1.00 13.33 C ATOM 920 C LEU A 57 -3.644 4.188 -4.678 1.00 1.14 C ATOM 921 O LEU A 57 -3.232 3.026 -4.702 1.00 24.34 O ATOM 922 CB LEU A 57 -2.402 6.003 -3.462 1.00 61.42 C ATOM 923 CG LEU A 57 -1.328 7.103 -3.442 1.00 2.22 C ATOM 924 CD1 LEU A 57 -1.175 7.683 -2.037 1.00 60.42 C ATOM 925 CD2 LEU A 57 0.008 6.566 -3.955 1.00 4.24 C ATOM 0 H LEU A 57 -3.341 7.299 -5.364 1.00 22.35 H new ATOM 0 HA LEU A 57 -1.740 4.996 -5.250 1.00 13.33 H new ATOM 0 HB2 LEU A 57 -3.334 6.422 -3.082 1.00 61.42 H new ATOM 0 HB3 LEU A 57 -2.102 5.214 -2.772 1.00 61.42 H new ATOM 0 HG LEU A 57 -1.649 7.904 -4.108 1.00 2.22 H new ATOM 0 HD11 LEU A 57 -0.410 8.460 -2.045 1.00 60.42 H new ATOM 0 HD12 LEU A 57 -2.124 8.112 -1.715 1.00 60.42 H new ATOM 0 HD13 LEU A 57 -0.882 6.892 -1.347 1.00 60.42 H new ATOM 0 HD21 LEU A 57 0.753 7.361 -3.932 1.00 4.24 H new ATOM 0 HD22 LEU A 57 0.337 5.743 -3.321 1.00 4.24 H new ATOM 0 HD23 LEU A 57 -0.112 6.210 -4.978 1.00 4.24 H new ATOM 937 N ALA A 58 -4.930 4.489 -4.521 1.00 0.13 N ATOM 938 CA ALA A 58 -5.959 3.449 -4.401 1.00 63.24 C ATOM 939 C ALA A 58 -6.063 2.612 -5.682 1.00 54.32 C ATOM 940 O ALA A 58 -6.136 1.381 -5.635 1.00 4.34 O ATOM 941 CB ALA A 58 -7.304 4.078 -4.076 1.00 42.03 C ATOM 0 H ALA A 58 -5.289 5.443 -4.473 1.00 0.13 H new ATOM 0 HA ALA A 58 -5.668 2.783 -3.589 1.00 63.24 H new ATOM 0 HB1 ALA A 58 -8.059 3.297 -3.989 1.00 42.03 H new ATOM 0 HB2 ALA A 58 -7.234 4.621 -3.133 1.00 42.03 H new ATOM 0 HB3 ALA A 58 -7.585 4.768 -4.872 1.00 42.03 H new ATOM 947 N LYS A 59 -6.080 3.292 -6.823 1.00 51.44 N ATOM 948 CA LYS A 59 -6.145 2.626 -8.129 1.00 43.44 C ATOM 949 C LYS A 59 -4.885 1.776 -8.388 1.00 51.32 C ATOM 950 O LYS A 59 -4.941 0.743 -9.060 1.00 22.31 O ATOM 951 CB LYS A 59 -6.317 3.680 -9.233 1.00 30.34 C ATOM 952 CG LYS A 59 -6.487 3.100 -10.634 1.00 13.32 C ATOM 953 CD LYS A 59 -6.634 4.196 -11.687 1.00 5.43 C ATOM 954 CE LYS A 59 -5.443 5.148 -11.684 1.00 44.11 C ATOM 955 NZ LYS A 59 -5.545 6.182 -12.746 1.00 54.45 N ATOM 0 H LYS A 59 -6.050 4.310 -6.875 1.00 51.44 H new ATOM 0 HA LYS A 59 -7.002 1.953 -8.133 1.00 43.44 H new ATOM 0 HB2 LYS A 59 -7.186 4.295 -8.999 1.00 30.34 H new ATOM 0 HB3 LYS A 59 -5.449 4.339 -9.228 1.00 30.34 H new ATOM 0 HG2 LYS A 59 -5.627 2.476 -10.876 1.00 13.32 H new ATOM 0 HG3 LYS A 59 -7.365 2.454 -10.656 1.00 13.32 H new ATOM 0 HD2 LYS A 59 -6.734 3.742 -12.673 1.00 5.43 H new ATOM 0 HD3 LYS A 59 -7.549 4.758 -11.501 1.00 5.43 H new ATOM 0 HE2 LYS A 59 -5.372 5.635 -10.711 1.00 44.11 H new ATOM 0 HE3 LYS A 59 -4.524 4.578 -11.822 1.00 44.11 H new ATOM 0 HZ1 LYS A 59 -4.722 6.113 -13.378 1.00 54.45 H new ATOM 0 HZ2 LYS A 59 -6.416 6.032 -13.294 1.00 54.45 H new ATOM 0 HZ3 LYS A 59 -5.569 7.126 -12.310 1.00 54.45 H new ATOM 969 N GLU A 60 -3.752 2.222 -7.851 1.00 32.21 N ATOM 970 CA GLU A 60 -2.486 1.490 -7.975 1.00 24.21 C ATOM 971 C GLU A 60 -2.488 0.230 -7.091 1.00 10.11 C ATOM 972 O GLU A 60 -2.155 -0.864 -7.551 1.00 53.44 O ATOM 973 CB GLU A 60 -1.314 2.404 -7.588 1.00 11.41 C ATOM 974 CG GLU A 60 0.070 1.811 -7.853 1.00 15.35 C ATOM 975 CD GLU A 60 0.342 1.583 -9.334 1.00 1.03 C ATOM 976 OE1 GLU A 60 0.405 2.576 -10.091 1.00 1.34 O ATOM 977 OE2 GLU A 60 0.485 0.418 -9.751 1.00 52.24 O ATOM 0 H GLU A 60 -3.681 3.091 -7.322 1.00 32.21 H new ATOM 0 HA GLU A 60 -2.371 1.176 -9.013 1.00 24.21 H new ATOM 0 HB2 GLU A 60 -1.405 3.341 -8.137 1.00 11.41 H new ATOM 0 HB3 GLU A 60 -1.394 2.647 -6.528 1.00 11.41 H new ATOM 0 HG2 GLU A 60 0.830 2.479 -7.448 1.00 15.35 H new ATOM 0 HG3 GLU A 60 0.162 0.864 -7.322 1.00 15.35 H new ATOM 984 N ALA A 61 -2.880 0.394 -5.824 1.00 70.23 N ATOM 985 CA ALA A 61 -2.926 -0.719 -4.862 1.00 20.45 C ATOM 986 C ALA A 61 -3.773 -1.897 -5.375 1.00 72.15 C ATOM 987 O ALA A 61 -3.390 -3.059 -5.230 1.00 15.41 O ATOM 988 CB ALA A 61 -3.454 -0.230 -3.516 1.00 31.02 C ATOM 0 H ALA A 61 -3.172 1.291 -5.436 1.00 70.23 H new ATOM 0 HA ALA A 61 -1.907 -1.085 -4.738 1.00 20.45 H new ATOM 0 HB1 ALA A 61 -3.483 -1.062 -2.813 1.00 31.02 H new ATOM 0 HB2 ALA A 61 -2.797 0.549 -3.129 1.00 31.02 H new ATOM 0 HB3 ALA A 61 -4.459 0.173 -3.644 1.00 31.02 H new ATOM 994 N GLU A 62 -4.922 -1.589 -5.976 1.00 72.14 N ATOM 995 CA GLU A 62 -5.787 -2.615 -6.577 1.00 54.22 C ATOM 996 C GLU A 62 -5.036 -3.432 -7.638 1.00 41.13 C ATOM 997 O GLU A 62 -5.073 -4.666 -7.627 1.00 43.40 O ATOM 998 CB GLU A 62 -7.029 -1.959 -7.199 1.00 54.11 C ATOM 999 CG GLU A 62 -8.095 -1.565 -6.185 1.00 64.21 C ATOM 1000 CD GLU A 62 -8.883 -2.764 -5.673 1.00 30.52 C ATOM 1001 OE1 GLU A 62 -8.449 -3.408 -4.698 1.00 54.15 O ATOM 1002 OE2 GLU A 62 -9.940 -3.078 -6.266 1.00 61.24 O ATOM 0 H GLU A 62 -5.279 -0.638 -6.062 1.00 72.14 H new ATOM 0 HA GLU A 62 -6.097 -3.298 -5.786 1.00 54.22 H new ATOM 0 HB2 GLU A 62 -6.720 -1.071 -7.750 1.00 54.11 H new ATOM 0 HB3 GLU A 62 -7.467 -2.647 -7.922 1.00 54.11 H new ATOM 0 HG2 GLU A 62 -7.622 -1.059 -5.344 1.00 64.21 H new ATOM 0 HG3 GLU A 62 -8.781 -0.852 -6.642 1.00 64.21 H new ATOM 1009 N ARG A 63 -4.354 -2.736 -8.543 1.00 32.32 N ATOM 1010 CA ARG A 63 -3.574 -3.390 -9.596 1.00 65.04 C ATOM 1011 C ARG A 63 -2.432 -4.225 -8.992 1.00 53.12 C ATOM 1012 O ARG A 63 -2.119 -5.311 -9.477 1.00 22.51 O ATOM 1013 CB ARG A 63 -3.032 -2.334 -10.580 1.00 62.12 C ATOM 1014 CG ARG A 63 -2.371 -2.913 -11.835 1.00 33.41 C ATOM 1015 CD ARG A 63 -0.845 -2.911 -11.752 1.00 1.50 C ATOM 1016 NE ARG A 63 -0.305 -1.554 -11.662 1.00 14.34 N ATOM 1017 CZ ARG A 63 0.138 -0.864 -12.683 1.00 14.12 C ATOM 1018 NH1 ARG A 63 0.100 -1.351 -13.883 1.00 21.15 N ATOM 1019 NH2 ARG A 63 0.604 0.325 -12.496 1.00 73.40 N ATOM 0 H ARG A 63 -4.324 -1.717 -8.571 1.00 32.32 H new ATOM 0 HA ARG A 63 -4.224 -4.072 -10.144 1.00 65.04 H new ATOM 0 HB2 ARG A 63 -3.853 -1.684 -10.884 1.00 62.12 H new ATOM 0 HB3 ARG A 63 -2.307 -1.709 -10.059 1.00 62.12 H new ATOM 0 HG2 ARG A 63 -2.721 -3.934 -11.987 1.00 33.41 H new ATOM 0 HG3 ARG A 63 -2.684 -2.336 -12.705 1.00 33.41 H new ATOM 0 HD2 ARG A 63 -0.528 -3.486 -10.882 1.00 1.50 H new ATOM 0 HD3 ARG A 63 -0.433 -3.408 -12.630 1.00 1.50 H new ATOM 0 HE ARG A 63 -0.271 -1.116 -10.742 1.00 14.34 H new ATOM 0 HH11 ARG A 63 -0.279 -2.284 -14.043 1.00 21.15 H new ATOM 0 HH12 ARG A 63 0.449 -0.801 -14.668 1.00 21.15 H new ATOM 0 HH21 ARG A 63 0.626 0.722 -11.557 1.00 73.40 H new ATOM 0 HH22 ARG A 63 0.950 0.867 -13.287 1.00 73.40 H new ATOM 1033 N LEU A 64 -1.829 -3.718 -7.917 1.00 30.15 N ATOM 1034 CA LEU A 64 -0.775 -4.448 -7.196 1.00 24.12 C ATOM 1035 C LEU A 64 -1.310 -5.749 -6.576 1.00 64.24 C ATOM 1036 O LEU A 64 -0.665 -6.798 -6.646 1.00 22.51 O ATOM 1037 CB LEU A 64 -0.172 -3.561 -6.092 1.00 22.11 C ATOM 1038 CG LEU A 64 0.636 -2.347 -6.582 1.00 21.03 C ATOM 1039 CD1 LEU A 64 1.053 -1.462 -5.407 1.00 34.34 C ATOM 1040 CD2 LEU A 64 1.859 -2.811 -7.368 1.00 65.23 C ATOM 0 H LEU A 64 -2.050 -2.804 -7.522 1.00 30.15 H new ATOM 0 HA LEU A 64 -0.003 -4.708 -7.920 1.00 24.12 H new ATOM 0 HB2 LEU A 64 -0.981 -3.203 -5.456 1.00 22.11 H new ATOM 0 HB3 LEU A 64 0.475 -4.178 -5.468 1.00 22.11 H new ATOM 0 HG LEU A 64 0.003 -1.754 -7.242 1.00 21.03 H new ATOM 0 HD11 LEU A 64 1.623 -0.610 -5.778 1.00 34.34 H new ATOM 0 HD12 LEU A 64 0.164 -1.105 -4.887 1.00 34.34 H new ATOM 0 HD13 LEU A 64 1.670 -2.039 -4.718 1.00 34.34 H new ATOM 0 HD21 LEU A 64 2.423 -1.943 -7.710 1.00 65.23 H new ATOM 0 HD22 LEU A 64 2.492 -3.425 -6.727 1.00 65.23 H new ATOM 0 HD23 LEU A 64 1.537 -3.397 -8.229 1.00 65.23 H new ATOM 1052 N ALA A 65 -2.489 -5.673 -5.966 1.00 63.33 N ATOM 1053 CA ALA A 65 -3.100 -6.833 -5.311 1.00 23.22 C ATOM 1054 C ALA A 65 -3.577 -7.886 -6.323 1.00 70.01 C ATOM 1055 O ALA A 65 -3.203 -9.061 -6.237 1.00 20.14 O ATOM 1056 CB ALA A 65 -4.255 -6.380 -4.425 1.00 62.34 C ATOM 0 H ALA A 65 -3.044 -4.819 -5.910 1.00 63.33 H new ATOM 0 HA ALA A 65 -2.335 -7.307 -4.695 1.00 23.22 H new ATOM 0 HB1 ALA A 65 -4.704 -7.247 -3.941 1.00 62.34 H new ATOM 0 HB2 ALA A 65 -3.883 -5.693 -3.665 1.00 62.34 H new ATOM 0 HB3 ALA A 65 -5.005 -5.875 -5.034 1.00 62.34 H new ATOM 1062 N LYS A 66 -4.398 -7.462 -7.283 1.00 60.52 N ATOM 1063 CA LYS A 66 -4.951 -8.371 -8.296 1.00 4.55 C ATOM 1064 C LYS A 66 -3.852 -9.002 -9.166 1.00 3.44 C ATOM 1065 O LYS A 66 -3.996 -10.134 -9.636 1.00 1.42 O ATOM 1066 CB LYS A 66 -5.972 -7.631 -9.168 1.00 73.10 C ATOM 1067 CG LYS A 66 -7.233 -7.233 -8.410 1.00 21.25 C ATOM 1068 CD LYS A 66 -8.214 -6.462 -9.285 1.00 24.35 C ATOM 1069 CE LYS A 66 -9.559 -6.282 -8.592 1.00 72.40 C ATOM 1070 NZ LYS A 66 -9.440 -5.558 -7.296 1.00 32.00 N ATOM 0 H LYS A 66 -4.698 -6.492 -7.384 1.00 60.52 H new ATOM 0 HA LYS A 66 -5.452 -9.185 -7.772 1.00 4.55 H new ATOM 0 HB2 LYS A 66 -5.506 -6.736 -9.581 1.00 73.10 H new ATOM 0 HB3 LYS A 66 -6.247 -8.265 -10.011 1.00 73.10 H new ATOM 0 HG2 LYS A 66 -7.720 -8.128 -8.024 1.00 21.25 H new ATOM 0 HG3 LYS A 66 -6.960 -6.622 -7.549 1.00 21.25 H new ATOM 0 HD2 LYS A 66 -7.796 -5.485 -9.529 1.00 24.35 H new ATOM 0 HD3 LYS A 66 -8.357 -6.992 -10.227 1.00 24.35 H new ATOM 0 HE2 LYS A 66 -10.233 -5.734 -9.250 1.00 72.40 H new ATOM 0 HE3 LYS A 66 -10.008 -7.260 -8.418 1.00 72.40 H new ATOM 0 HZ1 LYS A 66 -9.756 -6.177 -6.522 1.00 32.00 H new ATOM 0 HZ2 LYS A 66 -8.448 -5.287 -7.139 1.00 32.00 H new ATOM 0 HZ3 LYS A 66 -10.032 -4.704 -7.320 1.00 32.00 H new ATOM 1084 N GLU A 67 -2.757 -8.276 -9.371 1.00 63.03 N ATOM 1085 CA GLU A 67 -1.599 -8.806 -10.103 1.00 31.25 C ATOM 1086 C GLU A 67 -1.122 -10.140 -9.501 1.00 71.21 C ATOM 1087 O GLU A 67 -0.767 -11.069 -10.227 1.00 1.24 O ATOM 1088 CB GLU A 67 -0.458 -7.777 -10.090 1.00 45.13 C ATOM 1089 CG GLU A 67 0.804 -8.222 -10.829 1.00 33.32 C ATOM 1090 CD GLU A 67 0.546 -8.592 -12.281 1.00 61.15 C ATOM 1091 OE1 GLU A 67 0.122 -7.716 -13.061 1.00 24.50 O ATOM 1092 OE2 GLU A 67 0.772 -9.762 -12.654 1.00 24.41 O ATOM 0 H GLU A 67 -2.642 -7.317 -9.042 1.00 63.03 H new ATOM 0 HA GLU A 67 -1.902 -8.994 -11.133 1.00 31.25 H new ATOM 0 HB2 GLU A 67 -0.817 -6.849 -10.536 1.00 45.13 H new ATOM 0 HB3 GLU A 67 -0.198 -7.554 -9.055 1.00 45.13 H new ATOM 0 HG2 GLU A 67 1.542 -7.421 -10.790 1.00 33.32 H new ATOM 0 HG3 GLU A 67 1.237 -9.079 -10.313 1.00 33.32 H new ATOM 1099 N PHE A 68 -1.138 -10.235 -8.171 1.00 33.21 N ATOM 1100 CA PHE A 68 -0.716 -11.458 -7.470 1.00 31.41 C ATOM 1101 C PHE A 68 -1.898 -12.154 -6.769 1.00 23.43 C ATOM 1102 O PHE A 68 -1.702 -13.049 -5.949 1.00 42.13 O ATOM 1103 CB PHE A 68 0.383 -11.119 -6.453 1.00 40.42 C ATOM 1104 CG PHE A 68 1.623 -10.540 -7.092 1.00 24.31 C ATOM 1105 CD1 PHE A 68 2.615 -11.372 -7.590 1.00 61.34 C ATOM 1106 CD2 PHE A 68 1.792 -9.167 -7.206 1.00 54.14 C ATOM 1107 CE1 PHE A 68 3.745 -10.849 -8.184 1.00 14.12 C ATOM 1108 CE2 PHE A 68 2.923 -8.639 -7.799 1.00 22.23 C ATOM 1109 CZ PHE A 68 3.900 -9.482 -8.289 1.00 73.22 C ATOM 0 H PHE A 68 -1.438 -9.481 -7.553 1.00 33.21 H new ATOM 0 HA PHE A 68 -0.324 -12.153 -8.213 1.00 31.41 H new ATOM 0 HB2 PHE A 68 -0.010 -10.408 -5.726 1.00 40.42 H new ATOM 0 HB3 PHE A 68 0.652 -12.021 -5.903 1.00 40.42 H new ATOM 0 HD1 PHE A 68 2.501 -12.443 -7.512 1.00 61.34 H new ATOM 0 HD2 PHE A 68 1.030 -8.503 -6.826 1.00 54.14 H new ATOM 0 HE1 PHE A 68 4.509 -11.510 -8.567 1.00 14.12 H new ATOM 0 HE2 PHE A 68 3.042 -7.569 -7.879 1.00 22.23 H new ATOM 0 HZ PHE A 68 4.784 -9.072 -8.754 1.00 73.22 H new ATOM 1119 N ASN A 69 -3.124 -11.733 -7.097 1.00 55.52 N ATOM 1120 CA ASN A 69 -4.344 -12.354 -6.550 1.00 41.01 C ATOM 1121 C ASN A 69 -4.396 -12.262 -5.005 1.00 24.11 C ATOM 1122 O ASN A 69 -5.081 -13.042 -4.341 1.00 54.15 O ATOM 1123 CB ASN A 69 -4.431 -13.820 -7.025 1.00 2.32 C ATOM 1124 CG ASN A 69 -5.739 -14.500 -6.658 1.00 52.02 C ATOM 1125 OD1 ASN A 69 -6.778 -13.859 -6.529 1.00 14.33 O ATOM 1126 ND2 ASN A 69 -5.702 -15.804 -6.494 1.00 51.11 N ATOM 0 H ASN A 69 -3.302 -10.962 -7.741 1.00 55.52 H new ATOM 0 HA ASN A 69 -5.208 -11.804 -6.924 1.00 41.01 H new ATOM 0 HB2 ASN A 69 -4.306 -13.851 -8.107 1.00 2.32 H new ATOM 0 HB3 ASN A 69 -3.604 -14.383 -6.593 1.00 2.32 H new ATOM 0 HD21 ASN A 69 -6.553 -16.312 -6.252 1.00 51.11 H new ATOM 0 HD22 ASN A 69 -4.822 -16.308 -6.608 1.00 51.11 H new ATOM 1133 N ILE A 70 -3.691 -11.286 -4.435 1.00 34.04 N ATOM 1134 CA ILE A 70 -3.673 -11.097 -2.977 1.00 42.24 C ATOM 1135 C ILE A 70 -4.742 -10.082 -2.527 1.00 1.23 C ATOM 1136 O ILE A 70 -5.365 -9.409 -3.351 1.00 71.21 O ATOM 1137 CB ILE A 70 -2.276 -10.642 -2.478 1.00 73.14 C ATOM 1138 CG1 ILE A 70 -1.881 -9.298 -3.109 1.00 40.34 C ATOM 1139 CG2 ILE A 70 -1.226 -11.711 -2.783 1.00 53.13 C ATOM 1140 CD1 ILE A 70 -0.535 -8.774 -2.649 1.00 75.34 C ATOM 0 H ILE A 70 -3.126 -10.614 -4.954 1.00 34.04 H new ATOM 0 HA ILE A 70 -3.902 -12.065 -2.532 1.00 42.24 H new ATOM 0 HB ILE A 70 -2.326 -10.506 -1.398 1.00 73.14 H new ATOM 0 HG12 ILE A 70 -1.866 -9.408 -4.193 1.00 40.34 H new ATOM 0 HG13 ILE A 70 -2.647 -8.559 -2.874 1.00 40.34 H new ATOM 0 HG21 ILE A 70 -0.252 -11.376 -2.427 1.00 53.13 H new ATOM 0 HG22 ILE A 70 -1.496 -12.640 -2.281 1.00 53.13 H new ATOM 0 HG23 ILE A 70 -1.180 -11.880 -3.859 1.00 53.13 H new ATOM 0 HD11 ILE A 70 -0.328 -7.823 -3.139 1.00 75.34 H new ATOM 0 HD12 ILE A 70 -0.550 -8.630 -1.569 1.00 75.34 H new ATOM 0 HD13 ILE A 70 0.243 -9.492 -2.908 1.00 75.34 H new ATOM 1152 N THR A 71 -4.954 -9.983 -1.215 1.00 4.34 N ATOM 1153 CA THR A 71 -5.975 -9.077 -0.653 1.00 61.10 C ATOM 1154 C THR A 71 -5.371 -7.720 -0.247 1.00 25.23 C ATOM 1155 O THR A 71 -4.213 -7.650 0.156 1.00 42.43 O ATOM 1156 CB THR A 71 -6.660 -9.714 0.586 1.00 40.45 C ATOM 1157 OG1 THR A 71 -7.229 -10.988 0.240 1.00 75.33 O ATOM 1158 CG2 THR A 71 -7.755 -8.811 1.147 1.00 71.20 C ATOM 0 H THR A 71 -4.437 -10.516 -0.516 1.00 4.34 H new ATOM 0 HA THR A 71 -6.715 -8.913 -1.437 1.00 61.10 H new ATOM 0 HB THR A 71 -5.894 -9.846 1.351 1.00 40.45 H new ATOM 0 HG1 THR A 71 -7.657 -11.381 1.030 1.00 75.33 H new ATOM 0 HG21 THR A 71 -8.212 -9.289 2.013 1.00 71.20 H new ATOM 0 HG22 THR A 71 -7.322 -7.856 1.446 1.00 71.20 H new ATOM 0 HG23 THR A 71 -8.514 -8.642 0.383 1.00 71.20 H new ATOM 1166 N VAL A 72 -6.159 -6.644 -0.350 1.00 23.33 N ATOM 1167 CA VAL A 72 -5.691 -5.302 0.039 1.00 3.32 C ATOM 1168 C VAL A 72 -6.832 -4.437 0.620 1.00 21.02 C ATOM 1169 O VAL A 72 -7.929 -4.379 0.065 1.00 33.14 O ATOM 1170 CB VAL A 72 -5.045 -4.556 -1.162 1.00 21.31 C ATOM 1171 CG1 VAL A 72 -6.062 -4.319 -2.281 1.00 2.14 C ATOM 1172 CG2 VAL A 72 -4.412 -3.239 -0.713 1.00 13.10 C ATOM 0 H VAL A 72 -7.118 -6.672 -0.697 1.00 23.33 H new ATOM 0 HA VAL A 72 -4.940 -5.453 0.814 1.00 3.32 H new ATOM 0 HB VAL A 72 -4.255 -5.193 -1.560 1.00 21.31 H new ATOM 0 HG11 VAL A 72 -5.579 -3.795 -3.106 1.00 2.14 H new ATOM 0 HG12 VAL A 72 -6.445 -5.277 -2.633 1.00 2.14 H new ATOM 0 HG13 VAL A 72 -6.887 -3.716 -1.901 1.00 2.14 H new ATOM 0 HG21 VAL A 72 -3.967 -2.737 -1.573 1.00 13.10 H new ATOM 0 HG22 VAL A 72 -5.177 -2.598 -0.275 1.00 13.10 H new ATOM 0 HG23 VAL A 72 -3.639 -3.441 0.029 1.00 13.10 H new ATOM 1182 N THR A 73 -6.572 -3.777 1.750 1.00 22.51 N ATOM 1183 CA THR A 73 -7.545 -2.839 2.351 1.00 3.21 C ATOM 1184 C THR A 73 -6.867 -1.518 2.740 1.00 15.21 C ATOM 1185 O THR A 73 -5.636 -1.421 2.760 1.00 0.02 O ATOM 1186 CB THR A 73 -8.249 -3.431 3.601 1.00 34.12 C ATOM 1187 OG1 THR A 73 -7.295 -3.695 4.635 1.00 51.25 O ATOM 1188 CG2 THR A 73 -9.001 -4.715 3.259 1.00 1.22 C ATOM 0 H THR A 73 -5.701 -3.869 2.272 1.00 22.51 H new ATOM 0 HA THR A 73 -8.301 -2.658 1.587 1.00 3.21 H new ATOM 0 HB THR A 73 -8.969 -2.692 3.953 1.00 34.12 H new ATOM 0 HG1 THR A 73 -7.754 -4.066 5.417 1.00 51.25 H new ATOM 0 HG21 THR A 73 -9.483 -5.104 4.156 1.00 1.22 H new ATOM 0 HG22 THR A 73 -9.757 -4.503 2.503 1.00 1.22 H new ATOM 0 HG23 THR A 73 -8.300 -5.455 2.873 1.00 1.22 H new ATOM 1196 N TYR A 74 -7.672 -0.499 3.054 1.00 32.11 N ATOM 1197 CA TYR A 74 -7.148 0.847 3.336 1.00 13.40 C ATOM 1198 C TYR A 74 -7.618 1.371 4.704 1.00 13.23 C ATOM 1199 O TYR A 74 -8.732 1.080 5.146 1.00 12.11 O ATOM 1200 CB TYR A 74 -7.597 1.828 2.241 1.00 15.24 C ATOM 1201 CG TYR A 74 -7.443 1.290 0.830 1.00 51.33 C ATOM 1202 CD1 TYR A 74 -6.217 1.323 0.176 1.00 11.23 C ATOM 1203 CD2 TYR A 74 -8.531 0.749 0.156 1.00 52.22 C ATOM 1204 CE1 TYR A 74 -6.081 0.831 -1.108 1.00 42.00 C ATOM 1205 CE2 TYR A 74 -8.403 0.257 -1.126 1.00 24.41 C ATOM 1206 CZ TYR A 74 -7.178 0.300 -1.755 1.00 14.52 C ATOM 1207 OH TYR A 74 -7.054 -0.188 -3.037 1.00 3.50 O ATOM 0 H TYR A 74 -8.687 -0.577 3.120 1.00 32.11 H new ATOM 0 HA TYR A 74 -6.061 0.774 3.353 1.00 13.40 H new ATOM 0 HB2 TYR A 74 -8.642 2.089 2.407 1.00 15.24 H new ATOM 0 HB3 TYR A 74 -7.020 2.748 2.333 1.00 15.24 H new ATOM 0 HD1 TYR A 74 -5.357 1.740 0.679 1.00 11.23 H new ATOM 0 HD2 TYR A 74 -9.494 0.713 0.645 1.00 52.22 H new ATOM 0 HE1 TYR A 74 -5.121 0.862 -1.602 1.00 42.00 H new ATOM 0 HE2 TYR A 74 -9.259 -0.160 -1.635 1.00 24.41 H new ATOM 0 HH TYR A 74 -6.767 0.533 -3.635 1.00 3.50 H new ATOM 1217 N THR A 75 -6.761 2.145 5.364 1.00 4.45 N ATOM 1218 CA THR A 75 -7.109 2.808 6.629 1.00 11.54 C ATOM 1219 C THR A 75 -6.529 4.230 6.673 1.00 41.05 C ATOM 1220 O THR A 75 -5.325 4.418 6.523 1.00 65.14 O ATOM 1221 CB THR A 75 -6.593 2.014 7.861 1.00 34.11 C ATOM 1222 OG1 THR A 75 -7.190 0.707 7.898 1.00 4.44 O ATOM 1223 CG2 THR A 75 -6.900 2.748 9.167 1.00 62.53 C ATOM 0 H THR A 75 -5.811 2.333 5.045 1.00 4.45 H new ATOM 0 HA THR A 75 -8.197 2.850 6.674 1.00 11.54 H new ATOM 0 HB THR A 75 -5.512 1.921 7.762 1.00 34.11 H new ATOM 0 HG1 THR A 75 -6.855 0.217 8.678 1.00 4.44 H new ATOM 0 HG21 THR A 75 -6.526 2.165 10.009 1.00 62.53 H new ATOM 0 HG22 THR A 75 -6.416 3.725 9.158 1.00 62.53 H new ATOM 0 HG23 THR A 75 -7.978 2.878 9.267 1.00 62.53 H new ATOM 1231 N ILE A 76 -7.387 5.234 6.860 1.00 0.32 N ATOM 1232 CA ILE A 76 -6.942 6.636 6.905 1.00 1.54 C ATOM 1233 C ILE A 76 -7.573 7.404 8.078 1.00 44.33 C ATOM 1234 O ILE A 76 -8.783 7.338 8.298 1.00 43.32 O ATOM 1235 CB ILE A 76 -7.286 7.377 5.584 1.00 51.05 C ATOM 1236 CG1 ILE A 76 -6.551 6.730 4.398 1.00 2.11 C ATOM 1237 CG2 ILE A 76 -6.946 8.868 5.685 1.00 4.31 C ATOM 1238 CD1 ILE A 76 -6.832 7.392 3.067 1.00 22.41 C ATOM 0 H ILE A 76 -8.392 5.108 6.983 1.00 0.32 H new ATOM 0 HA ILE A 76 -5.861 6.608 7.042 1.00 1.54 H new ATOM 0 HB ILE A 76 -8.359 7.290 5.415 1.00 51.05 H new ATOM 0 HG12 ILE A 76 -5.478 6.760 4.588 1.00 2.11 H new ATOM 0 HG13 ILE A 76 -6.835 5.679 4.337 1.00 2.11 H new ATOM 0 HG21 ILE A 76 -7.197 9.363 4.747 1.00 4.31 H new ATOM 0 HG22 ILE A 76 -7.518 9.318 6.496 1.00 4.31 H new ATOM 0 HG23 ILE A 76 -5.881 8.986 5.884 1.00 4.31 H new ATOM 0 HD11 ILE A 76 -6.278 6.879 2.281 1.00 22.41 H new ATOM 0 HD12 ILE A 76 -7.899 7.339 2.852 1.00 22.41 H new ATOM 0 HD13 ILE A 76 -6.522 8.436 3.107 1.00 22.41 H new ATOM 1250 N ARG A 77 -6.746 8.131 8.831 1.00 32.21 N ATOM 1251 CA ARG A 77 -7.248 9.031 9.875 1.00 2.42 C ATOM 1252 C ARG A 77 -7.649 10.380 9.253 1.00 71.43 C ATOM 1253 O ARG A 77 -6.812 11.264 9.065 1.00 63.42 O ATOM 1254 CB ARG A 77 -6.187 9.245 10.969 1.00 64.10 C ATOM 1255 CG ARG A 77 -5.676 7.951 11.603 1.00 71.51 C ATOM 1256 CD ARG A 77 -4.822 8.218 12.842 1.00 54.33 C ATOM 1257 NE ARG A 77 -3.646 9.035 12.550 1.00 75.13 N ATOM 1258 CZ ARG A 77 -2.797 9.451 13.453 1.00 72.35 C ATOM 1259 NH1 ARG A 77 -2.958 9.150 14.703 1.00 44.13 N ATOM 1260 NH2 ARG A 77 -1.782 10.161 13.098 1.00 2.02 N ATOM 0 H ARG A 77 -5.730 8.116 8.740 1.00 32.21 H new ATOM 0 HA ARG A 77 -8.124 8.574 10.335 1.00 2.42 H new ATOM 0 HB2 ARG A 77 -5.343 9.786 10.541 1.00 64.10 H new ATOM 0 HB3 ARG A 77 -6.608 9.878 11.750 1.00 64.10 H new ATOM 0 HG2 ARG A 77 -6.523 7.322 11.876 1.00 71.51 H new ATOM 0 HG3 ARG A 77 -5.089 7.396 10.871 1.00 71.51 H new ATOM 0 HD2 ARG A 77 -5.429 8.719 13.596 1.00 54.33 H new ATOM 0 HD3 ARG A 77 -4.502 7.268 13.270 1.00 54.33 H new ATOM 0 HE ARG A 77 -3.477 9.298 11.579 1.00 75.13 H new ATOM 0 HH11 ARG A 77 -3.754 8.582 14.992 1.00 44.13 H new ATOM 0 HH12 ARG A 77 -2.288 9.481 15.398 1.00 44.13 H new ATOM 0 HH21 ARG A 77 -1.643 10.397 12.115 1.00 2.02 H new ATOM 0 HH22 ARG A 77 -1.117 10.487 13.800 1.00 2.02 H new ATOM 1274 N LEU A 78 -8.928 10.526 8.920 1.00 24.01 N ATOM 1275 CA LEU A 78 -9.402 11.694 8.161 1.00 3.52 C ATOM 1276 C LEU A 78 -10.259 12.623 9.037 1.00 54.32 C ATOM 1277 O LEU A 78 -11.322 12.233 9.528 1.00 43.43 O ATOM 1278 CB LEU A 78 -10.193 11.211 6.921 1.00 53.13 C ATOM 1279 CG LEU A 78 -10.475 12.257 5.816 1.00 72.00 C ATOM 1280 CD1 LEU A 78 -11.560 13.247 6.234 1.00 21.21 C ATOM 1281 CD2 LEU A 78 -9.191 12.994 5.433 1.00 34.41 C ATOM 0 H LEU A 78 -9.658 9.856 9.160 1.00 24.01 H new ATOM 0 HA LEU A 78 -8.540 12.274 7.832 1.00 3.52 H new ATOM 0 HB2 LEU A 78 -9.645 10.383 6.471 1.00 53.13 H new ATOM 0 HB3 LEU A 78 -11.149 10.813 7.263 1.00 53.13 H new ATOM 0 HG LEU A 78 -10.844 11.719 4.943 1.00 72.00 H new ATOM 0 HD11 LEU A 78 -11.727 13.964 5.430 1.00 21.21 H new ATOM 0 HD12 LEU A 78 -12.485 12.708 6.438 1.00 21.21 H new ATOM 0 HD13 LEU A 78 -11.243 13.777 7.132 1.00 21.21 H new ATOM 0 HD21 LEU A 78 -9.410 13.725 4.655 1.00 34.41 H new ATOM 0 HD22 LEU A 78 -8.790 13.505 6.308 1.00 34.41 H new ATOM 0 HD23 LEU A 78 -8.457 12.278 5.062 1.00 34.41 H new ATOM 1293 N GLU A 79 -9.790 13.853 9.221 1.00 33.13 N ATOM 1294 CA GLU A 79 -10.540 14.876 9.954 1.00 50.12 C ATOM 1295 C GLU A 79 -11.372 15.736 8.990 1.00 2.23 C ATOM 1296 O GLU A 79 -10.858 16.237 7.990 1.00 72.40 O ATOM 1297 CB GLU A 79 -9.572 15.764 10.748 1.00 34.02 C ATOM 1298 CG GLU A 79 -10.252 16.896 11.515 1.00 61.24 C ATOM 1299 CD GLU A 79 -9.265 17.762 12.282 1.00 22.12 C ATOM 1300 OE1 GLU A 79 -8.651 18.661 11.665 1.00 42.30 O ATOM 1301 OE2 GLU A 79 -9.091 17.544 13.499 1.00 40.40 O ATOM 0 H GLU A 79 -8.886 14.171 8.870 1.00 33.13 H new ATOM 0 HA GLU A 79 -11.220 14.378 10.645 1.00 50.12 H new ATOM 0 HB2 GLU A 79 -9.020 15.142 11.453 1.00 34.02 H new ATOM 0 HB3 GLU A 79 -8.842 16.192 10.061 1.00 34.02 H new ATOM 0 HG2 GLU A 79 -10.809 17.520 10.816 1.00 61.24 H new ATOM 0 HG3 GLU A 79 -10.976 16.473 12.212 1.00 61.24 H new ATOM 1308 N HIS A 80 -12.659 15.909 9.287 1.00 24.42 N ATOM 1309 CA HIS A 80 -13.542 16.707 8.427 1.00 64.12 C ATOM 1310 C HIS A 80 -14.405 17.669 9.253 1.00 40.21 C ATOM 1311 O HIS A 80 -14.979 17.290 10.275 1.00 52.11 O ATOM 1312 CB HIS A 80 -14.422 15.794 7.561 1.00 3.11 C ATOM 1313 CG HIS A 80 -15.244 14.810 8.338 1.00 62.34 C ATOM 1314 ND1 HIS A 80 -16.596 14.960 8.553 1.00 40.51 N ATOM 1315 CD2 HIS A 80 -14.900 13.644 8.937 1.00 30.20 C ATOM 1316 CE1 HIS A 80 -17.046 13.935 9.246 1.00 21.54 C ATOM 1317 NE2 HIS A 80 -16.040 13.123 9.493 1.00 64.21 N ATOM 0 H HIS A 80 -13.114 15.512 10.109 1.00 24.42 H new ATOM 0 HA HIS A 80 -12.914 17.307 7.769 1.00 64.12 H new ATOM 0 HB2 HIS A 80 -15.089 16.414 6.962 1.00 3.11 H new ATOM 0 HB3 HIS A 80 -13.785 15.248 6.866 1.00 3.11 H new ATOM 0 HD2 HIS A 80 -13.913 13.207 8.970 1.00 30.20 H new ATOM 0 HE1 HIS A 80 -18.069 13.786 9.559 1.00 21.54 H new ATOM 0 HE2 HIS A 80 -16.099 12.248 10.014 1.00 64.21 H new ATOM 1326 N HIS A 81 -14.483 18.917 8.805 1.00 54.12 N ATOM 1327 CA HIS A 81 -15.216 19.966 9.521 1.00 11.32 C ATOM 1328 C HIS A 81 -16.738 19.782 9.392 1.00 24.15 C ATOM 1329 O HIS A 81 -17.249 19.473 8.311 1.00 71.04 O ATOM 1330 CB HIS A 81 -14.804 21.345 8.980 1.00 60.54 C ATOM 1331 CG HIS A 81 -15.404 22.506 9.725 1.00 23.42 C ATOM 1332 ND1 HIS A 81 -14.817 23.071 10.836 1.00 5.13 N ATOM 1333 CD2 HIS A 81 -16.539 23.214 9.505 1.00 53.43 C ATOM 1334 CE1 HIS A 81 -15.558 24.071 11.267 1.00 71.34 C ATOM 1335 NE2 HIS A 81 -16.607 24.177 10.478 1.00 42.21 N ATOM 0 H HIS A 81 -14.044 19.234 7.940 1.00 54.12 H new ATOM 0 HA HIS A 81 -14.962 19.895 10.579 1.00 11.32 H new ATOM 0 HB2 HIS A 81 -13.718 21.427 9.017 1.00 60.54 H new ATOM 0 HB3 HIS A 81 -15.094 21.412 7.931 1.00 60.54 H new ATOM 0 HD2 HIS A 81 -17.254 23.050 8.713 1.00 53.43 H new ATOM 0 HE1 HIS A 81 -15.342 24.696 12.121 1.00 71.34 H new ATOM 0 HE2 HIS A 81 -17.352 24.867 10.576 1.00 42.21 H new ATOM 1344 N HIS A 82 -17.461 19.984 10.495 1.00 2.13 N ATOM 1345 CA HIS A 82 -18.923 19.875 10.484 1.00 13.35 C ATOM 1346 C HIS A 82 -19.541 21.040 9.696 1.00 1.45 C ATOM 1347 O HIS A 82 -19.897 22.083 10.256 1.00 13.11 O ATOM 1348 CB HIS A 82 -19.472 19.825 11.914 1.00 53.31 C ATOM 1349 CG HIS A 82 -18.885 18.715 12.730 1.00 14.31 C ATOM 1350 ND1 HIS A 82 -17.857 18.902 13.629 1.00 1.34 N ATOM 1351 CD2 HIS A 82 -19.182 17.395 12.777 1.00 4.22 C ATOM 1352 CE1 HIS A 82 -17.544 17.751 14.187 1.00 61.15 C ATOM 1353 NE2 HIS A 82 -18.332 16.823 13.688 1.00 32.31 N ATOM 0 H HIS A 82 -17.062 20.223 11.403 1.00 2.13 H new ATOM 0 HA HIS A 82 -19.198 18.945 9.987 1.00 13.35 H new ATOM 0 HB2 HIS A 82 -19.271 20.776 12.407 1.00 53.31 H new ATOM 0 HB3 HIS A 82 -20.555 19.707 11.877 1.00 53.31 H new ATOM 0 HD2 HIS A 82 -19.945 16.888 12.205 1.00 4.22 H new ATOM 0 HE1 HIS A 82 -16.773 17.595 14.927 1.00 61.15 H new ATOM 0 HE2 HIS A 82 -18.313 15.835 13.939 1.00 32.31 H new ATOM 1362 N HIS A 83 -19.639 20.849 8.383 1.00 0.02 N ATOM 1363 CA HIS A 83 -20.055 21.909 7.460 1.00 43.53 C ATOM 1364 C HIS A 83 -21.567 22.189 7.519 1.00 32.20 C ATOM 1365 O HIS A 83 -22.337 21.745 6.663 1.00 24.14 O ATOM 1366 CB HIS A 83 -19.610 21.567 6.026 1.00 42.53 C ATOM 1367 CG HIS A 83 -19.911 20.158 5.602 1.00 72.03 C ATOM 1368 ND1 HIS A 83 -19.004 19.126 5.722 1.00 41.12 N ATOM 1369 CD2 HIS A 83 -21.019 19.610 5.042 1.00 45.12 C ATOM 1370 CE1 HIS A 83 -19.536 18.015 5.259 1.00 31.22 C ATOM 1371 NE2 HIS A 83 -20.755 18.278 4.841 1.00 1.12 N ATOM 0 H HIS A 83 -19.434 19.960 7.927 1.00 0.02 H new ATOM 0 HA HIS A 83 -19.562 22.828 7.777 1.00 43.53 H new ATOM 0 HB2 HIS A 83 -20.097 22.254 5.334 1.00 42.53 H new ATOM 0 HB3 HIS A 83 -18.537 21.738 5.941 1.00 42.53 H new ATOM 0 HD1 HIS A 83 -18.065 19.211 6.110 1.00 41.12 H new ATOM 0 HD2 HIS A 83 -21.937 20.125 4.800 1.00 45.12 H new ATOM 0 HE1 HIS A 83 -19.053 17.050 5.228 1.00 31.22 H new ATOM 1380 N HIS A 84 -21.977 22.915 8.558 1.00 41.42 N ATOM 1381 CA HIS A 84 -23.363 23.385 8.696 1.00 72.13 C ATOM 1382 C HIS A 84 -23.483 24.377 9.868 1.00 73.13 C ATOM 1383 O HIS A 84 -24.560 24.565 10.441 1.00 41.04 O ATOM 1384 CB HIS A 84 -24.325 22.203 8.897 1.00 72.33 C ATOM 1385 CG HIS A 84 -25.748 22.537 8.568 1.00 65.23 C ATOM 1386 ND1 HIS A 84 -26.680 22.887 9.517 1.00 54.01 N ATOM 1387 CD2 HIS A 84 -26.395 22.595 7.378 1.00 44.15 C ATOM 1388 CE1 HIS A 84 -27.829 23.145 8.933 1.00 63.43 C ATOM 1389 NE2 HIS A 84 -27.685 22.977 7.636 1.00 34.42 N ATOM 0 H HIS A 84 -21.366 23.195 9.325 1.00 41.42 H new ATOM 0 HA HIS A 84 -23.639 23.898 7.775 1.00 72.13 H new ATOM 0 HB2 HIS A 84 -24.001 21.369 8.274 1.00 72.33 H new ATOM 0 HB3 HIS A 84 -24.267 21.868 9.933 1.00 72.33 H new ATOM 0 HD2 HIS A 84 -25.972 22.380 6.408 1.00 44.15 H new ATOM 0 HE1 HIS A 84 -28.738 23.444 9.433 1.00 63.43 H new ATOM 0 HE2 HIS A 84 -28.415 23.110 6.936 1.00 34.42 H new ATOM 1398 N HIS A 85 -22.365 25.018 10.206 1.00 52.01 N ATOM 1399 CA HIS A 85 -22.313 25.994 11.305 1.00 40.41 C ATOM 1400 C HIS A 85 -21.831 27.376 10.817 1.00 12.04 C ATOM 1401 O HIS A 85 -22.687 28.229 10.495 1.00 36.32 O ATOM 1402 CB HIS A 85 -21.394 25.477 12.423 1.00 13.34 C ATOM 1403 CG HIS A 85 -21.874 24.207 13.058 1.00 35.34 C ATOM 1404 ND1 HIS A 85 -21.197 23.010 12.960 1.00 31.22 N ATOM 1405 CD2 HIS A 85 -22.967 23.956 13.818 1.00 72.33 C ATOM 1406 CE1 HIS A 85 -21.852 22.082 13.629 1.00 24.23 C ATOM 1407 NE2 HIS A 85 -22.928 22.627 14.158 1.00 2.51 N ATOM 1408 OXT HIS A 85 -20.600 27.602 10.754 1.00 36.32 O ATOM 0 H HIS A 85 -21.472 24.880 9.732 1.00 52.01 H new ATOM 0 HA HIS A 85 -23.324 26.115 11.693 1.00 40.41 H new ATOM 0 HB2 HIS A 85 -20.396 25.314 12.015 1.00 13.34 H new ATOM 0 HB3 HIS A 85 -21.303 26.245 13.191 1.00 13.34 H new ATOM 0 HD1 HIS A 85 -20.326 22.865 12.450 1.00 31.22 H new ATOM 0 HD2 HIS A 85 -23.727 24.669 14.103 1.00 72.33 H new ATOM 0 HE1 HIS A 85 -21.556 21.048 13.727 1.00 24.23 H new TER 1417 HIS A 85