USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 31 TYR OH : rot 146:sc= 0.989 USER MOD Set 2.1: A 29 SER OG : rot -70:sc= 2.01! USER MOD Set 2.2: A 30 HIS : no HE2:sc= 0.776 K(o=2.8,f=-9!) USER MOD Single : A 7 LYS NZ :NH3+ -118:sc= -0.427 (180deg=-3.63!) USER MOD Single : A 14 HIS : no HE2:sc= 1.24 K(o=1.2,f=-3.9!) USER MOD Single : A 16 LYS NZ :NH3+ -116:sc= -3.54! (180deg=-7.25!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -122:sc= 1.07 (180deg=-2.08) USER MOD Single : A 24 MET CE :methyl -110:sc=-0.00353 (180deg=-0.219) USER MOD Single : A 28 TYR OH : rot -105:sc= 0.012 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0914! C(o=-0.091!,f=-14!) USER MOD Single : A 35 THR OG1 : rot -154:sc= 0.742 USER MOD Single : A 40 ASN : amide:sc= -0.922 K(o=-0.92,f=-13!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.765 USER MOD Single : A 52 LYS NZ :NH3+ -135:sc=-0.00906 (180deg=-0.212) USER MOD Single : A 54 LYS NZ :NH3+ -108:sc= -1.33! (180deg=-1.77!) USER MOD Single : A 59 ASN :FLIP amide:sc= -3.69! C(o=-5.3!,f=-3.7!) USER MOD Single : A 62 LYS NZ :NH3+ -134:sc= 2.4 (180deg=0.515) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -0.112 USER MOD Single : A 66 LYS NZ :NH3+ -139:sc= 0.718 (180deg=-1.53!) USER MOD Single : A 70 MET CE :methyl 153:sc= -0.0278 (180deg=-1.04) USER MOD Single : A 71 LYS NZ :NH3+ 151:sc= 0.0858 (180deg=-2.53!) USER MOD Single : A 73 TYR OH : rot 77:sc= -0.503 USER MOD Single : A 76 LYS NZ :NH3+ -113:sc= -1.21 (180deg=-5.3!) USER MOD Single : A 81 LYS NZ :NH3+ -151:sc= -0.804 (180deg=-2.24!) USER MOD Single : A 82 LYS NZ :NH3+ -124:sc= 0.0726 (180deg=-2.15!) USER MOD Single : A 83 LYS NZ :NH3+ -134:sc= 0.867 (180deg=-0.0455) USER MOD Single : A 84 TYR OH : rot 139:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 41 N GLU A 4 8.770 7.054 -0.491 1.00 0.11 N ATOM 42 CA GLU A 4 8.088 7.683 0.687 1.00 0.29 C ATOM 43 C GLU A 4 8.100 9.179 0.389 1.00 0.28 C ATOM 44 O GLU A 4 7.635 9.979 1.149 1.00 0.56 O ATOM 45 CB GLU A 4 8.861 7.486 2.010 1.00 0.45 C ATOM 46 CG GLU A 4 10.271 8.098 1.929 1.00 0.76 C ATOM 47 CD GLU A 4 10.778 8.379 3.349 1.00 2.10 C ATOM 48 OE1 GLU A 4 10.469 9.476 3.783 1.00 3.31 O ATOM 49 OE2 GLU A 4 11.419 7.500 3.897 1.00 2.06 O ATOM 0 HA GLU A 4 7.101 7.238 0.815 1.00 0.29 H new ATOM 0 HB2 GLU A 4 8.308 7.947 2.829 1.00 0.45 H new ATOM 0 HB3 GLU A 4 8.936 6.422 2.235 1.00 0.45 H new ATOM 0 HG2 GLU A 4 10.948 7.415 1.416 1.00 0.76 H new ATOM 0 HG3 GLU A 4 10.248 9.020 1.348 1.00 0.76 H new ATOM 56 N PHE A 5 8.661 9.505 -0.734 1.00 0.17 N ATOM 57 CA PHE A 5 8.791 10.890 -1.245 1.00 0.25 C ATOM 58 C PHE A 5 7.685 11.863 -0.820 1.00 0.26 C ATOM 59 O PHE A 5 7.937 12.915 -0.285 1.00 0.28 O ATOM 60 CB PHE A 5 8.702 10.689 -2.760 1.00 0.22 C ATOM 61 CG PHE A 5 8.432 12.017 -3.465 1.00 0.24 C ATOM 62 CD1 PHE A 5 9.441 12.843 -3.842 1.00 1.08 C ATOM 63 CD2 PHE A 5 7.146 12.390 -3.717 1.00 0.74 C ATOM 64 CE1 PHE A 5 9.200 14.040 -4.470 1.00 1.10 C ATOM 65 CE2 PHE A 5 6.860 13.570 -4.334 1.00 0.77 C ATOM 66 CZ PHE A 5 7.892 14.396 -4.715 1.00 0.29 C ATOM 0 H PHE A 5 9.064 8.811 -1.363 1.00 0.17 H new ATOM 0 HA PHE A 5 9.703 11.344 -0.858 1.00 0.25 H new ATOM 0 HB2 PHE A 5 9.632 10.257 -3.130 1.00 0.22 H new ATOM 0 HB3 PHE A 5 7.907 9.980 -2.992 1.00 0.22 H new ATOM 0 HD1 PHE A 5 10.461 12.551 -3.643 1.00 1.08 H new ATOM 0 HD2 PHE A 5 6.338 11.737 -3.422 1.00 0.74 H new ATOM 0 HE1 PHE A 5 10.014 14.685 -4.764 1.00 1.10 H new ATOM 0 HE2 PHE A 5 5.835 13.854 -4.522 1.00 0.77 H new ATOM 0 HZ PHE A 5 7.675 15.331 -5.210 1.00 0.29 H new ATOM 76 N ASP A 6 6.479 11.443 -1.081 1.00 0.25 N ATOM 77 CA ASP A 6 5.283 12.254 -0.755 1.00 0.25 C ATOM 78 C ASP A 6 5.133 12.381 0.757 1.00 0.19 C ATOM 79 O ASP A 6 4.609 13.332 1.295 1.00 0.28 O ATOM 80 CB ASP A 6 4.140 11.715 -1.597 1.00 0.44 C ATOM 81 CG ASP A 6 4.000 12.571 -2.857 1.00 0.53 C ATOM 82 OD1 ASP A 6 3.799 13.768 -2.698 1.00 1.22 O ATOM 83 OD2 ASP A 6 4.115 11.962 -3.904 1.00 0.85 O ATOM 0 H ASP A 6 6.272 10.545 -1.519 1.00 0.25 H new ATOM 0 HA ASP A 6 5.339 13.306 -1.034 1.00 0.25 H new ATOM 0 HB2 ASP A 6 4.329 10.676 -1.867 1.00 0.44 H new ATOM 0 HB3 ASP A 6 3.212 11.732 -1.026 1.00 0.44 H new ATOM 88 N LYS A 7 5.638 11.376 1.397 1.00 0.18 N ATOM 89 CA LYS A 7 5.601 11.339 2.870 1.00 0.32 C ATOM 90 C LYS A 7 6.725 12.309 3.292 1.00 0.20 C ATOM 91 O LYS A 7 6.559 13.112 4.193 1.00 0.21 O ATOM 92 CB LYS A 7 5.815 9.918 3.377 1.00 0.62 C ATOM 93 CG LYS A 7 4.892 9.644 4.595 1.00 1.32 C ATOM 94 CD LYS A 7 5.037 10.750 5.688 1.00 1.67 C ATOM 95 CE LYS A 7 4.251 10.374 6.941 1.00 2.03 C ATOM 96 NZ LYS A 7 2.788 10.324 6.606 1.00 3.29 N ATOM 0 H LYS A 7 6.080 10.570 0.955 1.00 0.18 H new ATOM 0 HA LYS A 7 4.642 11.638 3.292 1.00 0.32 H new ATOM 0 HB2 LYS A 7 5.603 9.204 2.582 1.00 0.62 H new ATOM 0 HB3 LYS A 7 6.858 9.778 3.662 1.00 0.62 H new ATOM 0 HG2 LYS A 7 3.855 9.594 4.262 1.00 1.32 H new ATOM 0 HG3 LYS A 7 5.136 8.673 5.025 1.00 1.32 H new ATOM 0 HD2 LYS A 7 6.089 10.885 5.939 1.00 1.67 H new ATOM 0 HD3 LYS A 7 4.677 11.703 5.299 1.00 1.67 H new ATOM 0 HE2 LYS A 7 4.584 9.407 7.318 1.00 2.03 H new ATOM 0 HE3 LYS A 7 4.431 11.103 7.731 1.00 2.03 H new ATOM 0 HZ1 LYS A 7 2.279 11.036 7.168 1.00 3.29 H new ATOM 0 HZ2 LYS A 7 2.657 10.523 5.594 1.00 3.29 H new ATOM 0 HZ3 LYS A 7 2.414 9.378 6.824 1.00 3.29 H new ATOM 110 N ALA A 8 7.838 12.206 2.605 1.00 0.22 N ATOM 111 CA ALA A 8 9.009 13.084 2.892 1.00 0.37 C ATOM 112 C ALA A 8 8.392 14.482 2.840 1.00 0.38 C ATOM 113 O ALA A 8 8.435 15.228 3.790 1.00 0.48 O ATOM 114 CB ALA A 8 10.114 12.754 1.858 1.00 0.45 C ATOM 0 H ALA A 8 7.983 11.539 1.847 1.00 0.22 H new ATOM 0 HA ALA A 8 9.518 12.964 3.849 1.00 0.37 H new ATOM 0 HB1 ALA A 8 10.985 13.382 2.043 1.00 0.45 H new ATOM 0 HB2 ALA A 8 10.397 11.705 1.950 1.00 0.45 H new ATOM 0 HB3 ALA A 8 9.739 12.942 0.852 1.00 0.45 H new ATOM 120 N ALA A 9 7.811 14.773 1.723 1.00 0.31 N ATOM 121 CA ALA A 9 7.139 16.072 1.482 1.00 0.38 C ATOM 122 C ALA A 9 6.158 16.387 2.634 1.00 0.29 C ATOM 123 O ALA A 9 6.213 17.437 3.240 1.00 0.39 O ATOM 124 CB ALA A 9 6.360 15.858 0.172 1.00 0.41 C ATOM 0 H ALA A 9 7.772 14.135 0.929 1.00 0.31 H new ATOM 0 HA ALA A 9 7.843 16.903 1.424 1.00 0.38 H new ATOM 0 HB1 ALA A 9 5.827 16.773 -0.088 1.00 0.41 H new ATOM 0 HB2 ALA A 9 7.056 15.603 -0.628 1.00 0.41 H new ATOM 0 HB3 ALA A 9 5.645 15.046 0.303 1.00 0.41 H new ATOM 130 N GLU A 10 5.300 15.440 2.895 1.00 0.15 N ATOM 131 CA GLU A 10 4.267 15.567 3.971 1.00 0.17 C ATOM 132 C GLU A 10 4.895 16.141 5.254 1.00 0.21 C ATOM 133 O GLU A 10 4.386 17.061 5.869 1.00 0.26 O ATOM 134 CB GLU A 10 3.726 14.150 4.264 1.00 0.21 C ATOM 135 CG GLU A 10 2.264 14.179 4.795 1.00 0.39 C ATOM 136 CD GLU A 10 1.963 12.881 5.533 1.00 0.77 C ATOM 137 OE1 GLU A 10 2.220 12.870 6.723 1.00 1.68 O ATOM 138 OE2 GLU A 10 1.512 11.936 4.911 1.00 1.24 O ATOM 0 H GLU A 10 5.269 14.553 2.392 1.00 0.15 H new ATOM 0 HA GLU A 10 3.471 16.237 3.647 1.00 0.17 H new ATOM 0 HB2 GLU A 10 3.769 13.551 3.354 1.00 0.21 H new ATOM 0 HB3 GLU A 10 4.368 13.662 4.997 1.00 0.21 H new ATOM 0 HG2 GLU A 10 2.126 15.029 5.463 1.00 0.39 H new ATOM 0 HG3 GLU A 10 1.568 14.308 3.966 1.00 0.39 H new ATOM 145 N GLU A 11 6.014 15.558 5.600 1.00 0.23 N ATOM 146 CA GLU A 11 6.780 15.952 6.817 1.00 0.33 C ATOM 147 C GLU A 11 7.600 17.201 6.700 1.00 0.25 C ATOM 148 O GLU A 11 7.589 18.076 7.545 1.00 0.22 O ATOM 149 CB GLU A 11 7.704 14.814 7.183 1.00 0.56 C ATOM 150 CG GLU A 11 7.068 13.929 8.268 1.00 1.04 C ATOM 151 CD GLU A 11 8.080 12.900 8.769 1.00 1.12 C ATOM 152 OE1 GLU A 11 9.027 13.294 9.427 1.00 1.74 O ATOM 153 OE2 GLU A 11 7.907 11.729 8.479 1.00 1.38 O ATOM 0 H GLU A 11 6.441 14.799 5.069 1.00 0.23 H new ATOM 0 HA GLU A 11 6.028 16.166 7.577 1.00 0.33 H new ATOM 0 HB2 GLU A 11 7.921 14.215 6.298 1.00 0.56 H new ATOM 0 HB3 GLU A 11 8.654 15.210 7.540 1.00 0.56 H new ATOM 0 HG2 GLU A 11 6.726 14.547 9.098 1.00 1.04 H new ATOM 0 HG3 GLU A 11 6.191 13.422 7.866 1.00 1.04 H new ATOM 160 N VAL A 12 8.319 17.272 5.632 1.00 0.26 N ATOM 161 CA VAL A 12 9.168 18.438 5.391 1.00 0.30 C ATOM 162 C VAL A 12 8.296 19.701 5.444 1.00 0.20 C ATOM 163 O VAL A 12 8.668 20.723 5.981 1.00 0.14 O ATOM 164 CB VAL A 12 9.862 18.169 4.059 1.00 0.36 C ATOM 165 CG1 VAL A 12 9.199 18.874 2.897 1.00 0.32 C ATOM 166 CG2 VAL A 12 11.341 18.444 4.189 1.00 0.50 C ATOM 0 H VAL A 12 8.352 16.556 4.906 1.00 0.26 H new ATOM 0 HA VAL A 12 9.941 18.606 6.141 1.00 0.30 H new ATOM 0 HB VAL A 12 9.752 17.112 3.815 1.00 0.36 H new ATOM 0 HG11 VAL A 12 9.737 18.645 1.977 1.00 0.32 H new ATOM 0 HG12 VAL A 12 8.167 18.536 2.807 1.00 0.32 H new ATOM 0 HG13 VAL A 12 9.215 19.950 3.068 1.00 0.32 H new ATOM 0 HG21 VAL A 12 11.832 18.250 3.235 1.00 0.50 H new ATOM 0 HG22 VAL A 12 11.494 19.486 4.471 1.00 0.50 H new ATOM 0 HG23 VAL A 12 11.766 17.795 4.954 1.00 0.50 H new ATOM 176 N LYS A 13 7.132 19.576 4.865 1.00 0.21 N ATOM 177 CA LYS A 13 6.168 20.705 4.840 1.00 0.15 C ATOM 178 C LYS A 13 5.595 21.052 6.234 1.00 0.14 C ATOM 179 O LYS A 13 4.786 21.949 6.337 1.00 0.26 O ATOM 180 CB LYS A 13 5.009 20.316 3.913 1.00 0.18 C ATOM 181 CG LYS A 13 5.478 20.248 2.455 1.00 0.71 C ATOM 182 CD LYS A 13 4.256 19.751 1.645 1.00 0.91 C ATOM 183 CE LYS A 13 4.650 19.382 0.233 1.00 1.86 C ATOM 184 NZ LYS A 13 3.436 18.781 -0.417 1.00 2.13 N ATOM 0 H LYS A 13 6.807 18.726 4.403 1.00 0.21 H new ATOM 0 HA LYS A 13 6.701 21.588 4.489 1.00 0.15 H new ATOM 0 HB2 LYS A 13 4.604 19.350 4.215 1.00 0.18 H new ATOM 0 HB3 LYS A 13 4.202 21.043 4.007 1.00 0.18 H new ATOM 0 HG2 LYS A 13 5.809 21.225 2.104 1.00 0.71 H new ATOM 0 HG3 LYS A 13 6.323 19.568 2.347 1.00 0.71 H new ATOM 0 HD2 LYS A 13 3.815 18.886 2.140 1.00 0.91 H new ATOM 0 HD3 LYS A 13 3.492 20.528 1.621 1.00 0.91 H new ATOM 0 HE2 LYS A 13 4.986 20.261 -0.316 1.00 1.86 H new ATOM 0 HE3 LYS A 13 5.477 18.672 0.236 1.00 1.86 H new ATOM 0 HZ1 LYS A 13 3.664 18.511 -1.395 1.00 2.13 H new ATOM 0 HZ2 LYS A 13 3.139 17.938 0.114 1.00 2.13 H new ATOM 0 HZ3 LYS A 13 2.664 19.477 -0.421 1.00 2.13 H new ATOM 198 N HIS A 14 6.022 20.330 7.239 1.00 0.11 N ATOM 199 CA HIS A 14 5.568 20.547 8.652 1.00 0.13 C ATOM 200 C HIS A 14 6.637 21.040 9.608 1.00 0.20 C ATOM 201 O HIS A 14 6.371 21.894 10.431 1.00 0.27 O ATOM 202 CB HIS A 14 5.277 19.172 9.343 1.00 0.19 C ATOM 203 CG HIS A 14 3.834 18.787 9.185 1.00 0.57 C ATOM 204 ND1 HIS A 14 3.382 18.098 8.202 1.00 1.11 N ATOM 205 CD2 HIS A 14 2.737 19.049 9.979 1.00 0.75 C ATOM 206 CE1 HIS A 14 2.103 17.933 8.353 1.00 1.60 C ATOM 207 NE2 HIS A 14 1.662 18.508 9.444 1.00 1.39 N ATOM 0 H HIS A 14 6.693 19.569 7.135 1.00 0.11 H new ATOM 0 HA HIS A 14 4.743 21.247 8.522 1.00 0.13 H new ATOM 0 HB2 HIS A 14 5.913 18.401 8.909 1.00 0.19 H new ATOM 0 HB3 HIS A 14 5.527 19.233 10.402 1.00 0.19 H new ATOM 0 HD1 HIS A 14 3.938 17.738 7.426 1.00 1.11 H new ATOM 0 HD2 HIS A 14 2.757 19.613 10.900 1.00 0.75 H new ATOM 0 HE1 HIS A 14 1.478 17.387 7.662 1.00 1.60 H new ATOM 215 N LEU A 15 7.792 20.455 9.429 1.00 0.29 N ATOM 216 CA LEU A 15 8.979 20.747 10.261 1.00 0.31 C ATOM 217 C LEU A 15 8.995 21.954 11.179 1.00 0.24 C ATOM 218 O LEU A 15 8.651 23.057 10.826 1.00 0.33 O ATOM 219 CB LEU A 15 10.150 20.927 9.323 1.00 0.28 C ATOM 220 CG LEU A 15 10.331 19.675 8.492 1.00 0.31 C ATOM 221 CD1 LEU A 15 11.353 19.998 7.492 1.00 0.23 C ATOM 222 CD2 LEU A 15 10.818 18.533 9.324 1.00 0.33 C ATOM 0 H LEU A 15 7.959 19.756 8.705 1.00 0.29 H new ATOM 0 HA LEU A 15 8.999 19.898 10.945 1.00 0.31 H new ATOM 0 HB2 LEU A 15 9.980 21.786 8.673 1.00 0.28 H new ATOM 0 HB3 LEU A 15 11.057 21.132 9.892 1.00 0.28 H new ATOM 0 HG LEU A 15 9.382 19.377 8.047 1.00 0.31 H new ATOM 0 HD11 LEU A 15 11.529 19.129 6.858 1.00 0.23 H new ATOM 0 HD12 LEU A 15 11.011 20.832 6.879 1.00 0.23 H new ATOM 0 HD13 LEU A 15 12.280 20.274 7.995 1.00 0.23 H new ATOM 0 HD21 LEU A 15 10.937 17.650 8.696 1.00 0.33 H new ATOM 0 HD22 LEU A 15 11.778 18.792 9.772 1.00 0.33 H new ATOM 0 HD23 LEU A 15 10.095 18.323 10.112 1.00 0.33 H new ATOM 234 N LYS A 16 9.412 21.666 12.369 1.00 0.29 N ATOM 235 CA LYS A 16 9.544 22.675 13.480 1.00 0.35 C ATOM 236 C LYS A 16 9.817 24.104 12.992 1.00 0.34 C ATOM 237 O LYS A 16 9.283 25.076 13.477 1.00 0.40 O ATOM 238 CB LYS A 16 10.755 22.307 14.357 1.00 0.83 C ATOM 239 CG LYS A 16 10.485 21.144 15.310 1.00 0.70 C ATOM 240 CD LYS A 16 11.624 21.252 16.368 1.00 1.09 C ATOM 241 CE LYS A 16 11.615 20.121 17.379 1.00 1.22 C ATOM 242 NZ LYS A 16 11.923 18.884 16.626 1.00 1.65 N ATOM 0 H LYS A 16 9.685 20.723 12.645 1.00 0.29 H new ATOM 0 HA LYS A 16 8.591 22.651 14.008 1.00 0.35 H new ATOM 0 HB2 LYS A 16 11.596 22.051 13.713 1.00 0.83 H new ATOM 0 HB3 LYS A 16 11.052 23.180 14.937 1.00 0.83 H new ATOM 0 HG2 LYS A 16 9.501 21.227 15.772 1.00 0.70 H new ATOM 0 HG3 LYS A 16 10.513 20.187 14.790 1.00 0.70 H new ATOM 0 HD2 LYS A 16 12.586 21.264 15.856 1.00 1.09 H new ATOM 0 HD3 LYS A 16 11.532 22.202 16.895 1.00 1.09 H new ATOM 0 HE2 LYS A 16 12.354 20.294 18.161 1.00 1.22 H new ATOM 0 HE3 LYS A 16 10.644 20.046 17.869 1.00 1.22 H new ATOM 0 HZ1 LYS A 16 11.106 18.241 16.665 1.00 1.65 H new ATOM 0 HZ2 LYS A 16 12.128 19.123 15.635 1.00 1.65 H new ATOM 0 HZ3 LYS A 16 12.751 18.418 17.048 1.00 1.65 H new ATOM 256 N THR A 17 10.676 24.143 12.024 1.00 0.46 N ATOM 257 CA THR A 17 11.114 25.417 11.379 1.00 0.78 C ATOM 258 C THR A 17 10.641 25.447 9.934 1.00 0.80 C ATOM 259 O THR A 17 10.277 24.450 9.354 1.00 0.65 O ATOM 260 CB THR A 17 12.641 25.347 11.259 1.00 0.93 C ATOM 261 OG1 THR A 17 13.130 25.026 12.553 1.00 0.98 O ATOM 262 CG2 THR A 17 13.343 26.671 10.943 1.00 1.27 C ATOM 0 H THR A 17 11.116 23.310 11.632 1.00 0.46 H new ATOM 0 HA THR A 17 10.737 26.263 11.953 1.00 0.78 H new ATOM 0 HB THR A 17 12.840 24.642 10.452 1.00 0.93 H new ATOM 0 HG1 THR A 17 14.108 24.968 12.528 1.00 0.98 H new ATOM 0 HG21 THR A 17 14.419 26.507 10.881 1.00 1.27 H new ATOM 0 HG22 THR A 17 12.979 27.058 9.991 1.00 1.27 H new ATOM 0 HG23 THR A 17 13.131 27.392 11.732 1.00 1.27 H new ATOM 270 N LYS A 18 10.686 26.605 9.364 1.00 1.08 N ATOM 271 CA LYS A 18 10.246 26.752 7.941 1.00 1.21 C ATOM 272 C LYS A 18 11.548 26.696 7.122 1.00 1.07 C ATOM 273 O LYS A 18 12.114 27.754 6.904 1.00 1.48 O ATOM 274 CB LYS A 18 9.569 28.135 7.756 1.00 1.55 C ATOM 275 CG LYS A 18 9.116 28.286 6.261 1.00 2.38 C ATOM 276 CD LYS A 18 9.214 29.775 5.806 1.00 2.62 C ATOM 277 CE LYS A 18 10.679 30.160 5.516 1.00 2.94 C ATOM 278 NZ LYS A 18 11.141 29.412 4.304 1.00 4.14 N ATOM 0 H LYS A 18 11.007 27.464 9.812 1.00 1.08 H new ATOM 0 HA LYS A 18 9.533 25.985 7.638 1.00 1.21 H new ATOM 0 HB2 LYS A 18 8.710 28.226 8.421 1.00 1.55 H new ATOM 0 HB3 LYS A 18 10.263 28.932 8.022 1.00 1.55 H new ATOM 0 HG2 LYS A 18 9.741 27.663 5.621 1.00 2.38 H new ATOM 0 HG3 LYS A 18 8.091 27.932 6.148 1.00 2.38 H new ATOM 0 HD2 LYS A 18 8.609 29.928 4.913 1.00 2.62 H new ATOM 0 HD3 LYS A 18 8.808 30.425 6.581 1.00 2.62 H new ATOM 0 HE2 LYS A 18 10.762 31.234 5.351 1.00 2.94 H new ATOM 0 HE3 LYS A 18 11.310 29.919 6.372 1.00 2.94 H new ATOM 0 HZ1 LYS A 18 11.975 28.839 4.546 1.00 4.14 H new ATOM 0 HZ2 LYS A 18 10.379 28.789 3.969 1.00 4.14 H new ATOM 0 HZ3 LYS A 18 11.391 30.087 3.554 1.00 4.14 H new ATOM 292 N PRO A 19 12.015 25.526 6.705 1.00 0.56 N ATOM 293 CA PRO A 19 13.269 25.403 5.908 1.00 0.41 C ATOM 294 C PRO A 19 13.733 26.675 5.160 1.00 0.38 C ATOM 295 O PRO A 19 12.921 27.393 4.610 1.00 0.44 O ATOM 296 CB PRO A 19 12.913 24.316 4.942 1.00 0.34 C ATOM 297 CG PRO A 19 12.014 23.327 5.752 1.00 0.40 C ATOM 298 CD PRO A 19 11.408 24.170 6.907 1.00 0.38 C ATOM 0 HA PRO A 19 14.122 25.207 6.558 1.00 0.41 H new ATOM 0 HB2 PRO A 19 12.381 24.715 4.079 1.00 0.34 H new ATOM 0 HB3 PRO A 19 13.805 23.817 4.564 1.00 0.34 H new ATOM 0 HG2 PRO A 19 11.231 22.903 5.123 1.00 0.40 H new ATOM 0 HG3 PRO A 19 12.599 22.493 6.140 1.00 0.40 H new ATOM 0 HD2 PRO A 19 10.320 24.205 6.851 1.00 0.38 H new ATOM 0 HD3 PRO A 19 11.664 23.757 7.883 1.00 0.38 H new ATOM 306 N ALA A 20 15.009 26.930 5.132 1.00 0.43 N ATOM 307 CA ALA A 20 15.471 28.161 4.414 1.00 0.50 C ATOM 308 C ALA A 20 15.037 27.982 2.949 1.00 0.43 C ATOM 309 O ALA A 20 15.166 26.873 2.455 1.00 0.22 O ATOM 310 CB ALA A 20 17.006 28.219 4.534 1.00 0.59 C ATOM 0 H ALA A 20 15.739 26.361 5.560 1.00 0.43 H new ATOM 0 HA ALA A 20 15.055 29.084 4.819 1.00 0.50 H new ATOM 0 HB1 ALA A 20 17.378 29.106 4.021 1.00 0.59 H new ATOM 0 HB2 ALA A 20 17.287 28.264 5.586 1.00 0.59 H new ATOM 0 HB3 ALA A 20 17.440 27.328 4.080 1.00 0.59 H new ATOM 316 N ASP A 21 14.531 28.999 2.297 1.00 0.78 N ATOM 317 CA ASP A 21 14.122 28.804 0.874 1.00 0.74 C ATOM 318 C ASP A 21 15.172 27.939 0.158 1.00 0.43 C ATOM 319 O ASP A 21 14.852 26.920 -0.406 1.00 0.06 O ATOM 320 CB ASP A 21 13.858 30.168 0.253 1.00 1.23 C ATOM 321 CG ASP A 21 12.607 30.801 0.870 1.00 1.99 C ATOM 322 OD1 ASP A 21 12.335 30.665 2.051 1.00 2.78 O ATOM 323 OD2 ASP A 21 11.944 31.425 0.075 1.00 2.27 O ATOM 0 H ASP A 21 14.386 29.934 2.678 1.00 0.78 H new ATOM 0 HA ASP A 21 13.188 28.250 0.780 1.00 0.74 H new ATOM 0 HB2 ASP A 21 14.718 30.819 0.410 1.00 1.23 H new ATOM 0 HB3 ASP A 21 13.728 30.065 -0.824 1.00 1.23 H new ATOM 328 N GLU A 22 16.402 28.345 0.199 1.00 0.75 N ATOM 329 CA GLU A 22 17.484 27.559 -0.458 1.00 0.92 C ATOM 330 C GLU A 22 17.359 26.011 -0.117 1.00 0.83 C ATOM 331 O GLU A 22 17.528 25.214 -1.021 1.00 1.05 O ATOM 332 CB GLU A 22 18.840 28.195 0.012 1.00 1.45 C ATOM 333 CG GLU A 22 19.080 29.692 -0.524 1.00 1.89 C ATOM 334 CD GLU A 22 18.534 30.896 0.308 1.00 3.42 C ATOM 335 OE1 GLU A 22 17.582 30.722 1.058 1.00 4.41 O ATOM 336 OE2 GLU A 22 19.117 31.965 0.130 1.00 3.88 O ATOM 0 H GLU A 22 16.713 29.198 0.664 1.00 0.75 H new ATOM 0 HA GLU A 22 17.417 27.606 -1.545 1.00 0.92 H new ATOM 0 HB2 GLU A 22 18.868 28.201 1.102 1.00 1.45 H new ATOM 0 HB3 GLU A 22 19.662 27.563 -0.325 1.00 1.45 H new ATOM 0 HG2 GLU A 22 20.155 29.832 -0.637 1.00 1.89 H new ATOM 0 HG3 GLU A 22 18.644 29.757 -1.521 1.00 1.89 H new ATOM 343 N GLU A 23 17.072 25.556 1.091 1.00 0.63 N ATOM 344 CA GLU A 23 16.975 24.070 1.283 1.00 0.58 C ATOM 345 C GLU A 23 15.611 23.641 0.672 1.00 0.51 C ATOM 346 O GLU A 23 15.491 22.563 0.107 1.00 0.61 O ATOM 347 CB GLU A 23 17.220 23.699 2.776 1.00 0.53 C ATOM 348 CG GLU A 23 18.678 23.055 2.917 1.00 0.82 C ATOM 349 CD GLU A 23 19.033 22.545 4.332 1.00 1.29 C ATOM 350 OE1 GLU A 23 18.765 23.335 5.225 1.00 1.05 O ATOM 351 OE2 GLU A 23 19.541 21.433 4.397 1.00 2.31 O ATOM 0 H GLU A 23 16.907 26.127 1.920 1.00 0.63 H new ATOM 0 HA GLU A 23 17.751 23.507 0.765 1.00 0.58 H new ATOM 0 HB2 GLU A 23 17.138 24.586 3.403 1.00 0.53 H new ATOM 0 HB3 GLU A 23 16.462 22.995 3.119 1.00 0.53 H new ATOM 0 HG2 GLU A 23 18.761 22.224 2.216 1.00 0.82 H new ATOM 0 HG3 GLU A 23 19.417 23.798 2.619 1.00 0.82 H new ATOM 358 N MET A 24 14.609 24.485 0.793 1.00 0.38 N ATOM 359 CA MET A 24 13.253 24.195 0.236 1.00 0.39 C ATOM 360 C MET A 24 13.405 23.995 -1.285 1.00 0.47 C ATOM 361 O MET A 24 12.765 23.153 -1.864 1.00 0.53 O ATOM 362 CB MET A 24 12.364 25.440 0.433 1.00 0.42 C ATOM 363 CG MET A 24 12.131 25.760 1.905 1.00 0.19 C ATOM 364 SD MET A 24 11.197 27.268 2.259 1.00 0.97 S ATOM 365 CE MET A 24 9.597 26.610 1.745 1.00 1.42 C ATOM 0 H MET A 24 14.682 25.385 1.268 1.00 0.38 H new ATOM 0 HA MET A 24 12.822 23.321 0.724 1.00 0.39 H new ATOM 0 HB2 MET A 24 12.831 26.297 -0.053 1.00 0.42 H new ATOM 0 HB3 MET A 24 11.404 25.279 -0.058 1.00 0.42 H new ATOM 0 HG2 MET A 24 11.608 24.919 2.359 1.00 0.19 H new ATOM 0 HG3 MET A 24 13.101 25.835 2.397 1.00 0.19 H new ATOM 0 HE1 MET A 24 9.284 27.095 0.821 1.00 1.42 H new ATOM 0 HE2 MET A 24 9.681 25.536 1.580 1.00 1.42 H new ATOM 0 HE3 MET A 24 8.858 26.801 2.523 1.00 1.42 H new ATOM 375 N LEU A 25 14.241 24.790 -1.889 1.00 0.48 N ATOM 376 CA LEU A 25 14.529 24.758 -3.333 1.00 0.56 C ATOM 377 C LEU A 25 14.721 23.378 -3.915 1.00 0.53 C ATOM 378 O LEU A 25 14.142 23.057 -4.928 1.00 0.62 O ATOM 379 CB LEU A 25 15.643 25.698 -3.508 1.00 0.51 C ATOM 380 CG LEU A 25 15.141 27.171 -3.282 1.00 0.37 C ATOM 381 CD1 LEU A 25 15.525 27.872 -4.473 1.00 0.34 C ATOM 382 CD2 LEU A 25 13.656 27.425 -3.098 1.00 0.38 C ATOM 0 H LEU A 25 14.768 25.509 -1.393 1.00 0.48 H new ATOM 0 HA LEU A 25 13.669 25.072 -3.925 1.00 0.56 H new ATOM 0 HB2 LEU A 25 16.441 25.465 -2.804 1.00 0.51 H new ATOM 0 HB3 LEU A 25 16.062 25.597 -4.509 1.00 0.51 H new ATOM 0 HG LEU A 25 15.577 27.483 -2.333 1.00 0.37 H new ATOM 0 HD11 LEU A 25 15.211 28.913 -4.399 1.00 0.34 H new ATOM 0 HD12 LEU A 25 16.608 27.826 -4.589 1.00 0.34 H new ATOM 0 HD13 LEU A 25 15.048 27.410 -5.337 1.00 0.34 H new ATOM 0 HD21 LEU A 25 13.484 28.492 -2.954 1.00 0.38 H new ATOM 0 HD22 LEU A 25 13.117 27.087 -3.983 1.00 0.38 H new ATOM 0 HD23 LEU A 25 13.299 26.879 -2.225 1.00 0.38 H new ATOM 394 N PHE A 26 15.521 22.614 -3.241 1.00 0.43 N ATOM 395 CA PHE A 26 15.816 21.218 -3.678 1.00 0.38 C ATOM 396 C PHE A 26 14.479 20.456 -3.682 1.00 0.29 C ATOM 397 O PHE A 26 13.965 20.051 -4.708 1.00 0.20 O ATOM 398 CB PHE A 26 16.753 20.615 -2.620 1.00 0.42 C ATOM 399 CG PHE A 26 16.945 19.171 -3.052 1.00 0.38 C ATOM 400 CD1 PHE A 26 17.825 18.838 -4.062 1.00 1.33 C ATOM 401 CD2 PHE A 26 16.191 18.196 -2.445 1.00 1.41 C ATOM 402 CE1 PHE A 26 17.951 17.528 -4.468 1.00 1.22 C ATOM 403 CE2 PHE A 26 16.315 16.892 -2.854 1.00 1.53 C ATOM 404 CZ PHE A 26 17.192 16.557 -3.861 1.00 0.47 C ATOM 0 H PHE A 26 15.997 22.899 -2.385 1.00 0.43 H new ATOM 0 HA PHE A 26 16.276 21.170 -4.665 1.00 0.38 H new ATOM 0 HB2 PHE A 26 17.704 21.147 -2.584 1.00 0.42 H new ATOM 0 HB3 PHE A 26 16.316 20.675 -1.623 1.00 0.42 H new ATOM 0 HD1 PHE A 26 18.417 19.607 -4.536 1.00 1.33 H new ATOM 0 HD2 PHE A 26 15.505 18.454 -1.651 1.00 1.41 H new ATOM 0 HE1 PHE A 26 18.641 17.266 -5.257 1.00 1.22 H new ATOM 0 HE2 PHE A 26 15.721 16.123 -2.383 1.00 1.53 H new ATOM 0 HZ PHE A 26 17.284 15.528 -4.175 1.00 0.47 H new ATOM 414 N ILE A 27 13.994 20.314 -2.479 1.00 0.36 N ATOM 415 CA ILE A 27 12.701 19.625 -2.199 1.00 0.29 C ATOM 416 C ILE A 27 11.693 20.027 -3.285 1.00 0.30 C ATOM 417 O ILE A 27 11.182 19.236 -4.037 1.00 0.23 O ATOM 418 CB ILE A 27 12.328 20.179 -0.788 1.00 0.31 C ATOM 419 CG1 ILE A 27 12.548 19.160 0.359 1.00 0.18 C ATOM 420 CG2 ILE A 27 10.865 20.684 -0.621 1.00 0.41 C ATOM 421 CD1 ILE A 27 13.930 18.465 0.387 1.00 0.25 C ATOM 0 H ILE A 27 14.463 20.663 -1.643 1.00 0.36 H new ATOM 0 HA ILE A 27 12.730 18.535 -2.208 1.00 0.29 H new ATOM 0 HB ILE A 27 13.014 21.023 -0.719 1.00 0.31 H new ATOM 0 HG12 ILE A 27 12.402 19.674 1.309 1.00 0.18 H new ATOM 0 HG13 ILE A 27 11.778 18.392 0.290 1.00 0.18 H new ATOM 0 HG21 ILE A 27 10.719 21.046 0.397 1.00 0.41 H new ATOM 0 HG22 ILE A 27 10.678 21.495 -1.325 1.00 0.41 H new ATOM 0 HG23 ILE A 27 10.173 19.865 -0.818 1.00 0.41 H new ATOM 0 HD11 ILE A 27 13.973 17.774 1.229 1.00 0.25 H new ATOM 0 HD12 ILE A 27 14.079 17.914 -0.542 1.00 0.25 H new ATOM 0 HD13 ILE A 27 14.713 19.216 0.493 1.00 0.25 H new ATOM 433 N TYR A 28 11.463 21.297 -3.329 1.00 0.42 N ATOM 434 CA TYR A 28 10.536 21.938 -4.274 1.00 0.44 C ATOM 435 C TYR A 28 10.800 21.653 -5.737 1.00 0.45 C ATOM 436 O TYR A 28 9.973 21.099 -6.421 1.00 0.45 O ATOM 437 CB TYR A 28 10.757 23.415 -4.027 1.00 0.55 C ATOM 438 CG TYR A 28 9.875 24.205 -4.960 1.00 0.52 C ATOM 439 CD1 TYR A 28 8.526 24.265 -4.693 1.00 0.96 C ATOM 440 CD2 TYR A 28 10.410 24.875 -6.037 1.00 1.40 C ATOM 441 CE1 TYR A 28 7.689 25.008 -5.493 1.00 1.09 C ATOM 442 CE2 TYR A 28 9.549 25.608 -6.825 1.00 1.34 C ATOM 443 CZ TYR A 28 8.216 25.682 -6.558 1.00 0.67 C ATOM 444 OH TYR A 28 7.442 26.486 -7.356 1.00 0.88 O ATOM 0 H TYR A 28 11.916 21.960 -2.700 1.00 0.42 H new ATOM 0 HA TYR A 28 9.526 21.565 -4.103 1.00 0.44 H new ATOM 0 HB2 TYR A 28 10.526 23.662 -2.991 1.00 0.55 H new ATOM 0 HB3 TYR A 28 11.804 23.672 -4.190 1.00 0.55 H new ATOM 0 HD1 TYR A 28 8.122 23.725 -3.850 1.00 0.96 H new ATOM 0 HD2 TYR A 28 11.466 24.828 -6.257 1.00 1.40 H new ATOM 0 HE1 TYR A 28 6.631 25.058 -5.282 1.00 1.09 H new ATOM 0 HE2 TYR A 28 9.943 26.139 -7.679 1.00 1.34 H new ATOM 0 HH TYR A 28 7.268 26.032 -8.207 1.00 0.88 H new ATOM 454 N SER A 29 11.950 22.041 -6.177 1.00 0.46 N ATOM 455 CA SER A 29 12.356 21.843 -7.585 1.00 0.40 C ATOM 456 C SER A 29 12.102 20.389 -8.011 1.00 0.34 C ATOM 457 O SER A 29 11.379 20.086 -8.948 1.00 0.32 O ATOM 458 CB SER A 29 13.847 22.238 -7.613 1.00 0.43 C ATOM 459 OG SER A 29 14.515 21.260 -6.822 1.00 0.40 O ATOM 0 H SER A 29 12.652 22.504 -5.599 1.00 0.46 H new ATOM 0 HA SER A 29 11.787 22.444 -8.294 1.00 0.40 H new ATOM 0 HB2 SER A 29 14.231 22.247 -8.633 1.00 0.43 H new ATOM 0 HB3 SER A 29 13.995 23.239 -7.207 1.00 0.43 H new ATOM 0 HG SER A 29 14.282 21.387 -5.879 1.00 0.40 H new ATOM 465 N HIS A 30 12.715 19.519 -7.257 1.00 0.31 N ATOM 466 CA HIS A 30 12.603 18.076 -7.504 1.00 0.26 C ATOM 467 C HIS A 30 11.148 17.651 -7.318 1.00 0.22 C ATOM 468 O HIS A 30 10.581 17.109 -8.231 1.00 0.24 O ATOM 469 CB HIS A 30 13.553 17.441 -6.487 1.00 0.25 C ATOM 470 CG HIS A 30 14.994 17.644 -6.936 1.00 0.26 C ATOM 471 ND1 HIS A 30 15.560 18.779 -7.147 1.00 0.77 N ATOM 472 CD2 HIS A 30 15.977 16.720 -7.213 1.00 0.80 C ATOM 473 CE1 HIS A 30 16.787 18.598 -7.525 1.00 0.60 C ATOM 474 NE2 HIS A 30 17.089 17.325 -7.578 1.00 0.50 N ATOM 0 H HIS A 30 13.302 19.767 -6.461 1.00 0.31 H new ATOM 0 HA HIS A 30 12.873 17.770 -8.515 1.00 0.26 H new ATOM 0 HB2 HIS A 30 13.401 17.888 -5.505 1.00 0.25 H new ATOM 0 HB3 HIS A 30 13.339 16.377 -6.389 1.00 0.25 H new ATOM 0 HD1 HIS A 30 15.110 19.687 -7.034 1.00 0.77 H new ATOM 0 HD2 HIS A 30 15.854 15.649 -7.141 1.00 0.80 H new ATOM 0 HE1 HIS A 30 17.473 19.396 -7.766 1.00 0.60 H new ATOM 482 N TYR A 31 10.555 17.890 -6.181 1.00 0.27 N ATOM 483 CA TYR A 31 9.129 17.490 -5.957 1.00 0.25 C ATOM 484 C TYR A 31 8.284 17.929 -7.099 1.00 0.22 C ATOM 485 O TYR A 31 7.680 17.127 -7.777 1.00 0.20 O ATOM 486 CB TYR A 31 8.577 18.236 -4.771 1.00 0.43 C ATOM 487 CG TYR A 31 7.170 17.792 -4.367 1.00 0.39 C ATOM 488 CD1 TYR A 31 6.041 18.375 -4.923 1.00 0.75 C ATOM 489 CD2 TYR A 31 7.026 16.784 -3.424 1.00 1.06 C ATOM 490 CE1 TYR A 31 4.786 17.949 -4.514 1.00 0.84 C ATOM 491 CE2 TYR A 31 5.773 16.365 -3.037 1.00 1.05 C ATOM 492 CZ TYR A 31 4.651 16.946 -3.572 1.00 0.53 C ATOM 493 OH TYR A 31 3.413 16.529 -3.134 1.00 0.69 O ATOM 0 H TYR A 31 10.999 18.350 -5.386 1.00 0.27 H new ATOM 0 HA TYR A 31 9.111 16.408 -5.824 1.00 0.25 H new ATOM 0 HB2 TYR A 31 9.249 18.101 -3.923 1.00 0.43 H new ATOM 0 HB3 TYR A 31 8.561 19.302 -4.999 1.00 0.43 H new ATOM 0 HD1 TYR A 31 6.138 19.152 -5.666 1.00 0.75 H new ATOM 0 HD2 TYR A 31 7.903 16.325 -2.991 1.00 1.06 H new ATOM 0 HE1 TYR A 31 3.904 18.406 -4.936 1.00 0.84 H new ATOM 0 HE2 TYR A 31 5.673 15.574 -2.308 1.00 1.05 H new ATOM 0 HH TYR A 31 3.438 15.566 -2.952 1.00 0.69 H new ATOM 503 N LYS A 32 8.255 19.218 -7.277 1.00 0.32 N ATOM 504 CA LYS A 32 7.459 19.781 -8.375 1.00 0.36 C ATOM 505 C LYS A 32 7.736 18.917 -9.619 1.00 0.28 C ATOM 506 O LYS A 32 6.781 18.461 -10.207 1.00 0.34 O ATOM 507 CB LYS A 32 7.779 21.231 -8.368 1.00 0.41 C ATOM 508 CG LYS A 32 7.425 21.911 -6.994 1.00 0.61 C ATOM 509 CD LYS A 32 5.946 21.890 -6.602 1.00 0.82 C ATOM 510 CE LYS A 32 5.224 22.877 -7.414 1.00 0.73 C ATOM 511 NZ LYS A 32 3.912 23.140 -6.739 1.00 1.16 N ATOM 0 H LYS A 32 8.752 19.899 -6.703 1.00 0.32 H new ATOM 0 HA LYS A 32 6.372 19.744 -8.311 1.00 0.36 H new ATOM 0 HB2 LYS A 32 8.840 21.368 -8.577 1.00 0.41 H new ATOM 0 HB3 LYS A 32 7.230 21.726 -9.169 1.00 0.41 H new ATOM 0 HG2 LYS A 32 7.997 21.418 -6.208 1.00 0.61 H new ATOM 0 HG3 LYS A 32 7.758 22.948 -7.027 1.00 0.61 H new ATOM 0 HD2 LYS A 32 5.529 20.895 -6.759 1.00 0.82 H new ATOM 0 HD3 LYS A 32 5.834 22.119 -5.542 1.00 0.82 H new ATOM 0 HE2 LYS A 32 5.801 23.797 -7.502 1.00 0.73 H new ATOM 0 HE3 LYS A 32 5.067 22.501 -8.425 1.00 0.73 H new ATOM 0 HZ1 LYS A 32 3.372 23.838 -7.290 1.00 1.16 H new ATOM 0 HZ2 LYS A 32 3.370 22.254 -6.676 1.00 1.16 H new ATOM 0 HZ3 LYS A 32 4.082 23.511 -5.782 1.00 1.16 H new ATOM 525 N GLN A 33 8.975 18.693 -9.989 1.00 0.20 N ATOM 526 CA GLN A 33 9.223 17.826 -11.204 1.00 0.16 C ATOM 527 C GLN A 33 8.606 16.427 -11.059 1.00 0.23 C ATOM 528 O GLN A 33 7.818 15.982 -11.863 1.00 0.39 O ATOM 529 CB GLN A 33 10.722 17.651 -11.352 1.00 0.10 C ATOM 530 CG GLN A 33 11.247 18.804 -12.163 1.00 0.41 C ATOM 531 CD GLN A 33 11.329 18.417 -13.619 1.00 0.24 C ATOM 532 OE1 GLN A 33 12.336 17.966 -14.102 1.00 0.50 O ATOM 533 NE2 GLN A 33 10.296 18.554 -14.368 1.00 0.33 N ATOM 0 H GLN A 33 9.807 19.056 -9.524 1.00 0.20 H new ATOM 0 HA GLN A 33 8.767 18.314 -12.066 1.00 0.16 H new ATOM 0 HB2 GLN A 33 11.201 17.624 -10.373 1.00 0.10 H new ATOM 0 HB3 GLN A 33 10.948 16.705 -11.844 1.00 0.10 H new ATOM 0 HG2 GLN A 33 10.595 19.669 -12.045 1.00 0.41 H new ATOM 0 HG3 GLN A 33 12.232 19.096 -11.800 1.00 0.41 H new ATOM 0 HE21 GLN A 33 9.432 18.934 -13.981 1.00 0.33 H new ATOM 0 HE22 GLN A 33 10.339 18.283 -15.350 1.00 0.33 H new ATOM 542 N ALA A 34 9.020 15.797 -10.013 1.00 0.14 N ATOM 543 CA ALA A 34 8.595 14.432 -9.620 1.00 0.17 C ATOM 544 C ALA A 34 7.072 14.161 -9.627 1.00 0.20 C ATOM 545 O ALA A 34 6.611 13.148 -10.119 1.00 0.18 O ATOM 546 CB ALA A 34 9.098 14.343 -8.179 1.00 0.27 C ATOM 0 H ALA A 34 9.690 16.206 -9.362 1.00 0.14 H new ATOM 0 HA ALA A 34 8.985 13.705 -10.332 1.00 0.17 H new ATOM 0 HB1 ALA A 34 8.844 13.367 -7.765 1.00 0.27 H new ATOM 0 HB2 ALA A 34 10.180 14.474 -8.163 1.00 0.27 H new ATOM 0 HB3 ALA A 34 8.629 15.124 -7.581 1.00 0.27 H new ATOM 552 N THR A 35 6.384 15.115 -9.065 1.00 0.30 N ATOM 553 CA THR A 35 4.878 15.121 -8.911 1.00 0.42 C ATOM 554 C THR A 35 4.035 15.874 -9.926 1.00 0.59 C ATOM 555 O THR A 35 3.104 15.326 -10.474 1.00 0.72 O ATOM 556 CB THR A 35 4.512 15.756 -7.551 1.00 0.54 C ATOM 557 OG1 THR A 35 4.960 17.099 -7.579 1.00 0.66 O ATOM 558 CG2 THR A 35 5.380 15.236 -6.470 1.00 0.47 C ATOM 0 H THR A 35 6.825 15.949 -8.678 1.00 0.30 H new ATOM 0 HA THR A 35 4.641 14.065 -9.040 1.00 0.42 H new ATOM 0 HB THR A 35 3.448 15.582 -7.392 1.00 0.54 H new ATOM 0 HG1 THR A 35 5.130 17.406 -6.664 1.00 0.66 H new ATOM 0 HG21 THR A 35 5.100 15.700 -5.524 1.00 0.47 H new ATOM 0 HG22 THR A 35 5.259 14.155 -6.394 1.00 0.47 H new ATOM 0 HG23 THR A 35 6.421 15.469 -6.695 1.00 0.47 H new ATOM 566 N VAL A 36 4.386 17.100 -10.151 1.00 0.58 N ATOM 567 CA VAL A 36 3.654 17.990 -11.123 1.00 0.72 C ATOM 568 C VAL A 36 4.150 17.765 -12.552 1.00 0.68 C ATOM 569 O VAL A 36 3.398 17.446 -13.458 1.00 0.85 O ATOM 570 CB VAL A 36 4.011 19.469 -10.730 1.00 0.73 C ATOM 571 CG1 VAL A 36 3.357 20.457 -11.667 1.00 0.81 C ATOM 572 CG2 VAL A 36 3.623 19.741 -9.309 1.00 0.78 C ATOM 0 H VAL A 36 5.177 17.551 -9.692 1.00 0.58 H new ATOM 0 HA VAL A 36 2.585 17.780 -11.082 1.00 0.72 H new ATOM 0 HB VAL A 36 5.090 19.593 -10.822 1.00 0.73 H new ATOM 0 HG11 VAL A 36 3.623 21.471 -11.369 1.00 0.81 H new ATOM 0 HG12 VAL A 36 3.701 20.276 -12.685 1.00 0.81 H new ATOM 0 HG13 VAL A 36 2.274 20.338 -11.623 1.00 0.81 H new ATOM 0 HG21 VAL A 36 3.877 20.770 -9.053 1.00 0.78 H new ATOM 0 HG22 VAL A 36 2.550 19.592 -9.190 1.00 0.78 H new ATOM 0 HG23 VAL A 36 4.159 19.060 -8.649 1.00 0.78 H new ATOM 582 N GLY A 37 5.441 17.959 -12.607 1.00 0.54 N ATOM 583 CA GLY A 37 6.270 17.828 -13.851 1.00 0.55 C ATOM 584 C GLY A 37 7.202 19.023 -14.171 1.00 0.33 C ATOM 585 O GLY A 37 7.754 19.730 -13.339 1.00 0.21 O ATOM 0 H GLY A 37 5.990 18.220 -11.788 1.00 0.54 H new ATOM 0 HA2 GLY A 37 6.880 16.929 -13.765 1.00 0.55 H new ATOM 0 HA3 GLY A 37 5.600 17.678 -14.697 1.00 0.55 H new ATOM 589 N ASP A 38 7.362 19.201 -15.452 1.00 0.30 N ATOM 590 CA ASP A 38 8.198 20.277 -16.050 1.00 0.15 C ATOM 591 C ASP A 38 7.586 21.664 -15.769 1.00 0.15 C ATOM 592 O ASP A 38 6.568 22.015 -16.333 1.00 0.48 O ATOM 593 CB ASP A 38 8.189 19.911 -17.556 1.00 0.25 C ATOM 594 CG ASP A 38 9.231 18.860 -17.907 1.00 0.20 C ATOM 595 OD1 ASP A 38 9.630 18.105 -17.042 1.00 0.95 O ATOM 596 OD2 ASP A 38 9.574 18.891 -19.075 1.00 0.81 O ATOM 0 H ASP A 38 6.917 18.604 -16.149 1.00 0.30 H new ATOM 0 HA ASP A 38 9.208 20.339 -15.644 1.00 0.15 H new ATOM 0 HB2 ASP A 38 7.200 19.544 -17.831 1.00 0.25 H new ATOM 0 HB3 ASP A 38 8.371 20.809 -18.146 1.00 0.25 H new ATOM 601 N ILE A 39 8.265 22.387 -14.901 1.00 0.16 N ATOM 602 CA ILE A 39 7.856 23.763 -14.465 1.00 0.05 C ATOM 603 C ILE A 39 6.812 24.385 -15.386 1.00 0.04 C ATOM 604 O ILE A 39 7.044 25.126 -16.314 1.00 0.01 O ATOM 605 CB ILE A 39 9.038 24.594 -14.066 1.00 0.05 C ATOM 606 CG1 ILE A 39 8.431 25.670 -13.148 1.00 0.06 C ATOM 607 CG2 ILE A 39 9.768 25.154 -15.288 1.00 0.06 C ATOM 608 CD1 ILE A 39 9.528 26.274 -12.374 1.00 0.04 C ATOM 0 H ILE A 39 9.125 22.060 -14.460 1.00 0.16 H new ATOM 0 HA ILE A 39 7.297 23.696 -13.532 1.00 0.05 H new ATOM 0 HB ILE A 39 9.816 24.031 -13.550 1.00 0.05 H new ATOM 0 HG12 ILE A 39 7.917 26.429 -13.738 1.00 0.06 H new ATOM 0 HG13 ILE A 39 7.691 25.229 -12.481 1.00 0.06 H new ATOM 0 HG21 ILE A 39 10.619 25.751 -14.961 1.00 0.06 H new ATOM 0 HG22 ILE A 39 10.120 24.331 -15.910 1.00 0.06 H new ATOM 0 HG23 ILE A 39 9.086 25.779 -15.864 1.00 0.06 H new ATOM 0 HD11 ILE A 39 9.127 27.042 -11.713 1.00 0.04 H new ATOM 0 HD12 ILE A 39 10.020 25.505 -11.779 1.00 0.04 H new ATOM 0 HD13 ILE A 39 10.250 26.723 -13.056 1.00 0.04 H new ATOM 620 N ASN A 40 5.636 23.999 -15.006 1.00 0.14 N ATOM 621 CA ASN A 40 4.361 24.384 -15.668 1.00 0.23 C ATOM 622 C ASN A 40 3.518 25.298 -14.770 1.00 0.43 C ATOM 623 O ASN A 40 2.318 25.168 -14.629 1.00 0.71 O ATOM 624 CB ASN A 40 3.655 23.042 -15.944 1.00 0.41 C ATOM 625 CG ASN A 40 3.421 22.364 -14.614 1.00 1.11 C ATOM 626 OD1 ASN A 40 4.332 22.035 -13.888 1.00 2.04 O ATOM 627 ND2 ASN A 40 2.207 22.141 -14.246 1.00 1.74 N ATOM 0 H ASN A 40 5.497 23.386 -14.203 1.00 0.14 H new ATOM 0 HA ASN A 40 4.522 24.956 -16.581 1.00 0.23 H new ATOM 0 HB2 ASN A 40 2.710 23.206 -16.461 1.00 0.41 H new ATOM 0 HB3 ASN A 40 4.267 22.414 -16.591 1.00 0.41 H new ATOM 0 HD21 ASN A 40 2.020 21.691 -13.350 1.00 1.74 H new ATOM 0 HD22 ASN A 40 1.432 22.414 -14.851 1.00 1.74 H new ATOM 634 N THR A 41 4.256 26.187 -14.184 1.00 0.31 N ATOM 635 CA THR A 41 3.707 27.236 -13.257 1.00 0.46 C ATOM 636 C THR A 41 4.036 28.553 -13.972 1.00 0.58 C ATOM 637 O THR A 41 3.243 29.062 -14.730 1.00 1.31 O ATOM 638 CB THR A 41 4.439 27.151 -11.884 1.00 0.40 C ATOM 639 OG1 THR A 41 5.825 26.957 -12.164 1.00 0.32 O ATOM 640 CG2 THR A 41 4.164 25.888 -11.189 1.00 0.58 C ATOM 0 H THR A 41 5.267 26.241 -14.309 1.00 0.31 H new ATOM 0 HA THR A 41 2.642 27.128 -13.053 1.00 0.46 H new ATOM 0 HB THR A 41 4.145 28.035 -11.318 1.00 0.40 H new ATOM 0 HG1 THR A 41 6.324 26.900 -11.322 1.00 0.32 H new ATOM 0 HG21 THR A 41 4.695 25.873 -10.237 1.00 0.58 H new ATOM 0 HG22 THR A 41 3.093 25.798 -11.008 1.00 0.58 H new ATOM 0 HG23 THR A 41 4.500 25.053 -11.805 1.00 0.58 H new ATOM 648 N GLU A 42 5.219 28.999 -13.672 1.00 0.36 N ATOM 649 CA GLU A 42 5.898 30.228 -14.168 1.00 0.24 C ATOM 650 C GLU A 42 6.703 30.977 -13.114 1.00 0.26 C ATOM 651 O GLU A 42 6.482 30.898 -11.922 1.00 0.45 O ATOM 652 CB GLU A 42 4.939 31.273 -14.622 1.00 0.18 C ATOM 653 CG GLU A 42 4.218 31.857 -13.400 1.00 1.09 C ATOM 654 CD GLU A 42 3.067 32.835 -13.677 1.00 1.32 C ATOM 655 OE1 GLU A 42 2.873 33.208 -14.821 1.00 0.72 O ATOM 656 OE2 GLU A 42 2.433 33.165 -12.688 1.00 2.69 O ATOM 0 H GLU A 42 5.813 28.489 -13.018 1.00 0.36 H new ATOM 0 HA GLU A 42 6.527 29.823 -14.961 1.00 0.24 H new ATOM 0 HB2 GLU A 42 5.468 32.061 -15.159 1.00 0.18 H new ATOM 0 HB3 GLU A 42 4.216 30.844 -15.316 1.00 0.18 H new ATOM 0 HG2 GLU A 42 3.826 31.029 -12.809 1.00 1.09 H new ATOM 0 HG3 GLU A 42 4.956 32.368 -12.782 1.00 1.09 H new ATOM 663 N ARG A 43 7.594 31.699 -13.694 1.00 0.23 N ATOM 664 CA ARG A 43 8.540 32.550 -12.956 1.00 0.40 C ATOM 665 C ARG A 43 7.817 33.863 -12.514 1.00 0.62 C ATOM 666 O ARG A 43 7.513 34.694 -13.350 1.00 0.61 O ATOM 667 CB ARG A 43 9.665 32.759 -13.978 1.00 0.44 C ATOM 668 CG ARG A 43 10.956 33.128 -13.256 1.00 0.43 C ATOM 669 CD ARG A 43 12.061 33.372 -14.268 1.00 0.45 C ATOM 670 NE ARG A 43 13.327 33.409 -13.459 1.00 0.40 N ATOM 671 CZ ARG A 43 13.817 34.444 -12.901 1.00 1.10 C ATOM 672 NH1 ARG A 43 13.977 35.541 -13.506 1.00 1.34 N ATOM 673 NH2 ARG A 43 14.135 34.307 -11.689 1.00 2.00 N ATOM 0 H ARG A 43 7.712 31.736 -14.707 1.00 0.23 H new ATOM 0 HA ARG A 43 8.931 32.133 -12.028 1.00 0.40 H new ATOM 0 HB2 ARG A 43 9.811 31.851 -14.563 1.00 0.44 H new ATOM 0 HB3 ARG A 43 9.391 33.548 -14.678 1.00 0.44 H new ATOM 0 HG2 ARG A 43 10.802 34.021 -12.650 1.00 0.43 H new ATOM 0 HG3 ARG A 43 11.244 32.327 -12.575 1.00 0.43 H new ATOM 0 HD2 ARG A 43 12.093 32.580 -15.016 1.00 0.45 H new ATOM 0 HD3 ARG A 43 11.907 34.309 -14.803 1.00 0.45 H new ATOM 0 HE ARG A 43 13.836 32.532 -13.347 1.00 0.40 H new ATOM 0 HH11 ARG A 43 13.709 35.626 -14.486 1.00 1.34 H new ATOM 0 HH12 ARG A 43 14.374 36.341 -13.014 1.00 1.34 H new ATOM 0 HH21 ARG A 43 13.993 33.411 -11.223 1.00 2.00 H new ATOM 0 HH22 ARG A 43 14.534 35.092 -11.175 1.00 2.00 H new ATOM 805 N LYS A 52 10.476 33.349 -6.843 1.00 0.42 N ATOM 806 CA LYS A 52 11.221 32.938 -8.065 1.00 0.46 C ATOM 807 C LYS A 52 12.195 31.803 -7.721 1.00 0.37 C ATOM 808 O LYS A 52 12.136 30.760 -8.311 1.00 0.58 O ATOM 809 CB LYS A 52 12.074 34.171 -8.481 1.00 0.39 C ATOM 810 CG LYS A 52 11.802 34.495 -9.965 1.00 1.45 C ATOM 811 CD LYS A 52 10.416 35.138 -10.115 1.00 3.17 C ATOM 812 CE LYS A 52 10.496 36.625 -9.810 1.00 3.37 C ATOM 813 NZ LYS A 52 11.126 37.328 -10.971 1.00 3.55 N ATOM 0 HA LYS A 52 10.536 32.608 -8.846 1.00 0.46 H new ATOM 0 HB2 LYS A 52 11.824 35.029 -7.857 1.00 0.39 H new ATOM 0 HB3 LYS A 52 13.133 33.964 -8.329 1.00 0.39 H new ATOM 0 HG2 LYS A 52 12.569 35.170 -10.345 1.00 1.45 H new ATOM 0 HG3 LYS A 52 11.856 33.584 -10.561 1.00 1.45 H new ATOM 0 HD2 LYS A 52 10.043 34.986 -11.128 1.00 3.17 H new ATOM 0 HD3 LYS A 52 9.708 34.658 -9.439 1.00 3.17 H new ATOM 0 HE2 LYS A 52 9.499 37.025 -9.624 1.00 3.37 H new ATOM 0 HE3 LYS A 52 11.081 36.793 -8.906 1.00 3.37 H new ATOM 0 HZ1 LYS A 52 11.836 38.004 -10.624 1.00 3.55 H new ATOM 0 HZ2 LYS A 52 11.586 36.631 -11.591 1.00 3.55 H new ATOM 0 HZ3 LYS A 52 10.395 37.838 -11.506 1.00 3.55 H new ATOM 827 N ALA A 53 13.073 32.050 -6.776 1.00 0.13 N ATOM 828 CA ALA A 53 14.087 31.028 -6.338 1.00 0.05 C ATOM 829 C ALA A 53 13.516 29.614 -6.555 1.00 0.10 C ATOM 830 O ALA A 53 14.045 28.841 -7.326 1.00 0.15 O ATOM 831 CB ALA A 53 14.338 31.367 -4.926 1.00 0.07 C ATOM 0 H ALA A 53 13.132 32.938 -6.277 1.00 0.13 H new ATOM 0 HA ALA A 53 15.021 31.037 -6.900 1.00 0.05 H new ATOM 0 HB1 ALA A 53 15.070 30.675 -4.510 1.00 0.07 H new ATOM 0 HB2 ALA A 53 14.722 32.385 -4.859 1.00 0.07 H new ATOM 0 HB3 ALA A 53 13.408 31.293 -4.363 1.00 0.07 H new ATOM 837 N LYS A 54 12.448 29.336 -5.848 1.00 0.18 N ATOM 838 CA LYS A 54 11.770 28.016 -5.985 1.00 0.28 C ATOM 839 C LYS A 54 11.593 27.726 -7.495 1.00 0.25 C ATOM 840 O LYS A 54 12.010 26.714 -8.028 1.00 0.30 O ATOM 841 CB LYS A 54 10.352 28.164 -5.316 1.00 0.35 C ATOM 842 CG LYS A 54 10.292 27.481 -3.925 1.00 0.87 C ATOM 843 CD LYS A 54 10.811 28.442 -2.832 1.00 0.67 C ATOM 844 CE LYS A 54 9.714 29.410 -2.427 1.00 0.99 C ATOM 845 NZ LYS A 54 10.259 30.303 -1.371 1.00 1.06 N ATOM 0 H LYS A 54 12.017 29.973 -5.178 1.00 0.18 H new ATOM 0 HA LYS A 54 12.339 27.211 -5.519 1.00 0.28 H new ATOM 0 HB2 LYS A 54 10.109 29.221 -5.211 1.00 0.35 H new ATOM 0 HB3 LYS A 54 9.596 27.726 -5.968 1.00 0.35 H new ATOM 0 HG2 LYS A 54 9.267 27.185 -3.702 1.00 0.87 H new ATOM 0 HG3 LYS A 54 10.892 26.571 -3.933 1.00 0.87 H new ATOM 0 HD2 LYS A 54 11.144 27.873 -1.964 1.00 0.67 H new ATOM 0 HD3 LYS A 54 11.675 28.993 -3.202 1.00 0.67 H new ATOM 0 HE2 LYS A 54 9.383 29.993 -3.286 1.00 0.99 H new ATOM 0 HE3 LYS A 54 8.844 28.868 -2.056 1.00 0.99 H new ATOM 0 HZ1 LYS A 54 9.834 30.057 -0.455 1.00 1.06 H new ATOM 0 HZ2 LYS A 54 11.291 30.186 -1.316 1.00 1.06 H new ATOM 0 HZ3 LYS A 54 10.034 31.292 -1.602 1.00 1.06 H new ATOM 859 N TRP A 55 10.968 28.673 -8.146 1.00 0.20 N ATOM 860 CA TRP A 55 10.692 28.580 -9.592 1.00 0.16 C ATOM 861 C TRP A 55 11.895 28.151 -10.384 1.00 0.09 C ATOM 862 O TRP A 55 11.914 27.127 -11.031 1.00 0.10 O ATOM 863 CB TRP A 55 10.274 29.988 -10.134 1.00 0.13 C ATOM 864 CG TRP A 55 9.814 29.689 -11.536 1.00 0.07 C ATOM 865 CD1 TRP A 55 8.550 29.348 -11.790 1.00 0.06 C ATOM 866 CD2 TRP A 55 10.537 29.645 -12.676 1.00 0.08 C ATOM 867 NE1 TRP A 55 8.557 29.101 -13.063 1.00 0.07 N ATOM 868 CE2 TRP A 55 9.696 29.253 -13.673 1.00 0.10 C ATOM 869 CE3 TRP A 55 11.844 29.894 -13.011 1.00 0.10 C ATOM 870 CZ2 TRP A 55 10.084 29.099 -14.949 1.00 0.14 C ATOM 871 CZ3 TRP A 55 12.272 29.742 -14.311 1.00 0.14 C ATOM 872 CH2 TRP A 55 11.387 29.341 -15.301 1.00 0.16 C ATOM 0 H TRP A 55 10.631 29.531 -7.711 1.00 0.20 H new ATOM 0 HA TRP A 55 9.902 27.838 -9.709 1.00 0.16 H new ATOM 0 HB2 TRP A 55 9.479 30.431 -9.534 1.00 0.13 H new ATOM 0 HB3 TRP A 55 11.109 30.688 -10.124 1.00 0.13 H new ATOM 0 HD1 TRP A 55 7.720 29.291 -11.101 1.00 0.06 H new ATOM 0 HE1 TRP A 55 7.716 28.804 -13.558 1.00 0.07 H new ATOM 0 HE3 TRP A 55 12.542 30.211 -12.250 1.00 0.10 H new ATOM 0 HZ2 TRP A 55 9.371 28.785 -15.697 1.00 0.14 H new ATOM 0 HZ3 TRP A 55 13.304 29.936 -14.562 1.00 0.14 H new ATOM 0 HH2 TRP A 55 11.716 29.222 -16.323 1.00 0.16 H new ATOM 883 N ASP A 56 12.871 28.987 -10.269 1.00 0.05 N ATOM 884 CA ASP A 56 14.139 28.750 -10.988 1.00 0.09 C ATOM 885 C ASP A 56 14.707 27.393 -10.640 1.00 0.18 C ATOM 886 O ASP A 56 14.992 26.621 -11.533 1.00 0.22 O ATOM 887 CB ASP A 56 15.041 29.878 -10.689 1.00 0.06 C ATOM 888 CG ASP A 56 14.525 31.173 -11.256 1.00 0.51 C ATOM 889 OD1 ASP A 56 13.654 31.740 -10.623 1.00 1.78 O ATOM 890 OD2 ASP A 56 15.000 31.571 -12.300 1.00 0.43 O ATOM 0 H ASP A 56 12.846 29.834 -9.702 1.00 0.05 H new ATOM 0 HA ASP A 56 13.988 28.718 -12.067 1.00 0.09 H new ATOM 0 HB2 ASP A 56 15.156 29.975 -9.609 1.00 0.06 H new ATOM 0 HB3 ASP A 56 16.030 29.671 -11.098 1.00 0.06 H new ATOM 895 N ALA A 57 14.850 27.151 -9.363 1.00 0.21 N ATOM 896 CA ALA A 57 15.386 25.853 -8.903 1.00 0.27 C ATOM 897 C ALA A 57 14.632 24.700 -9.605 1.00 0.26 C ATOM 898 O ALA A 57 15.230 23.784 -10.125 1.00 0.31 O ATOM 899 CB ALA A 57 15.212 25.871 -7.402 1.00 0.30 C ATOM 0 H ALA A 57 14.614 27.808 -8.619 1.00 0.21 H new ATOM 0 HA ALA A 57 16.436 25.696 -9.151 1.00 0.27 H new ATOM 0 HB1 ALA A 57 15.587 24.938 -6.981 1.00 0.30 H new ATOM 0 HB2 ALA A 57 15.768 26.709 -6.981 1.00 0.30 H new ATOM 0 HB3 ALA A 57 14.155 25.979 -7.160 1.00 0.30 H new ATOM 905 N TRP A 58 13.329 24.758 -9.605 1.00 0.22 N ATOM 906 CA TRP A 58 12.512 23.694 -10.266 1.00 0.20 C ATOM 907 C TRP A 58 12.742 23.751 -11.764 1.00 0.14 C ATOM 908 O TRP A 58 13.051 22.752 -12.373 1.00 0.13 O ATOM 909 CB TRP A 58 11.045 23.970 -9.947 1.00 0.19 C ATOM 910 CG TRP A 58 10.102 23.009 -10.699 1.00 0.15 C ATOM 911 CD1 TRP A 58 10.391 21.921 -11.494 1.00 0.08 C ATOM 912 CD2 TRP A 58 8.777 23.183 -10.659 1.00 0.20 C ATOM 913 NE1 TRP A 58 9.164 21.544 -11.867 1.00 0.09 N ATOM 914 CE2 TRP A 58 8.144 22.242 -11.417 1.00 0.18 C ATOM 915 CE3 TRP A 58 8.058 24.130 -9.972 1.00 0.31 C ATOM 916 CZ2 TRP A 58 6.774 22.238 -11.508 1.00 0.28 C ATOM 917 CZ3 TRP A 58 6.696 24.132 -10.049 1.00 0.39 C ATOM 918 CH2 TRP A 58 6.048 23.192 -10.821 1.00 0.38 C ATOM 0 H TRP A 58 12.787 25.505 -9.171 1.00 0.22 H new ATOM 0 HA TRP A 58 12.792 22.704 -9.907 1.00 0.20 H new ATOM 0 HB2 TRP A 58 10.882 23.872 -8.874 1.00 0.19 H new ATOM 0 HB3 TRP A 58 10.803 24.999 -10.214 1.00 0.19 H new ATOM 0 HD1 TRP A 58 11.348 21.490 -11.747 1.00 0.08 H new ATOM 0 HE1 TRP A 58 9.023 20.741 -12.480 1.00 0.09 H new ATOM 0 HE3 TRP A 58 8.569 24.870 -9.373 1.00 0.31 H new ATOM 0 HZ2 TRP A 58 6.269 21.497 -12.110 1.00 0.28 H new ATOM 0 HZ3 TRP A 58 6.125 24.870 -9.505 1.00 0.39 H new ATOM 0 HH2 TRP A 58 4.970 23.201 -10.889 1.00 0.38 H new ATOM 929 N ASN A 59 12.586 24.892 -12.351 1.00 0.11 N ATOM 930 CA ASN A 59 12.780 25.081 -13.801 1.00 0.10 C ATOM 931 C ASN A 59 14.048 24.338 -14.224 1.00 0.14 C ATOM 932 O ASN A 59 13.997 23.549 -15.139 1.00 0.17 O ATOM 933 CB ASN A 59 12.775 26.583 -13.935 1.00 0.10 C ATOM 934 CG ASN A 59 13.482 27.081 -15.134 1.00 0.11 C ATOM 935 OD1 ASN A 59 14.383 27.949 -14.852 1.00 0.16 O flip ATOM 936 ND2 ASN A 59 13.238 26.717 -16.264 1.00 0.08 N flip ATOM 0 H ASN A 59 12.318 25.743 -11.857 1.00 0.11 H new ATOM 0 HA ASN A 59 12.027 24.666 -14.471 1.00 0.10 H new ATOM 0 HB2 ASN A 59 11.743 26.932 -13.963 1.00 0.10 H new ATOM 0 HB3 ASN A 59 13.234 27.018 -13.048 1.00 0.10 H new ATOM 0 HD21 ASN A 59 12.509 26.023 -16.430 1.00 0.08 H new ATOM 0 HD22 ASN A 59 13.761 27.105 -17.049 1.00 0.08 H new ATOM 943 N GLU A 60 15.113 24.616 -13.524 1.00 0.22 N ATOM 944 CA GLU A 60 16.443 23.990 -13.778 1.00 0.30 C ATOM 945 C GLU A 60 16.341 22.490 -14.134 1.00 0.30 C ATOM 946 O GLU A 60 17.074 21.936 -14.926 1.00 0.38 O ATOM 947 CB GLU A 60 17.254 24.239 -12.480 1.00 0.37 C ATOM 948 CG GLU A 60 18.712 23.750 -12.658 1.00 0.58 C ATOM 949 CD GLU A 60 19.654 24.110 -11.499 1.00 0.69 C ATOM 950 OE1 GLU A 60 19.337 24.964 -10.682 1.00 1.01 O ATOM 951 OE2 GLU A 60 20.689 23.476 -11.519 1.00 1.72 O ATOM 0 H GLU A 60 15.115 25.282 -12.751 1.00 0.22 H new ATOM 0 HA GLU A 60 16.930 24.428 -14.649 1.00 0.30 H new ATOM 0 HB2 GLU A 60 17.246 25.301 -12.236 1.00 0.37 H new ATOM 0 HB3 GLU A 60 16.787 23.717 -11.645 1.00 0.37 H new ATOM 0 HG2 GLU A 60 18.706 22.667 -12.780 1.00 0.58 H new ATOM 0 HG3 GLU A 60 19.113 24.173 -13.579 1.00 0.58 H new ATOM 958 N LEU A 61 15.386 21.880 -13.509 1.00 0.23 N ATOM 959 CA LEU A 61 15.086 20.436 -13.669 1.00 0.22 C ATOM 960 C LEU A 61 14.311 19.999 -14.893 1.00 0.22 C ATOM 961 O LEU A 61 14.643 19.023 -15.535 1.00 0.32 O ATOM 962 CB LEU A 61 14.229 20.111 -12.529 1.00 0.18 C ATOM 963 CG LEU A 61 14.864 20.604 -11.246 1.00 0.24 C ATOM 964 CD1 LEU A 61 14.051 20.019 -10.236 1.00 0.25 C ATOM 965 CD2 LEU A 61 16.283 20.138 -11.101 1.00 0.32 C ATOM 0 H LEU A 61 14.763 22.353 -12.854 1.00 0.23 H new ATOM 0 HA LEU A 61 16.052 19.938 -13.753 1.00 0.22 H new ATOM 0 HB2 LEU A 61 13.248 20.569 -12.658 1.00 0.18 H new ATOM 0 HB3 LEU A 61 14.073 19.034 -12.476 1.00 0.18 H new ATOM 0 HG LEU A 61 14.911 21.692 -11.204 1.00 0.24 H new ATOM 0 HD11 LEU A 61 14.423 20.312 -9.254 1.00 0.25 H new ATOM 0 HD12 LEU A 61 13.023 20.363 -10.352 1.00 0.25 H new ATOM 0 HD13 LEU A 61 14.083 18.933 -10.327 1.00 0.25 H new ATOM 0 HD21 LEU A 61 16.696 20.516 -10.166 1.00 0.32 H new ATOM 0 HD22 LEU A 61 16.309 19.048 -11.095 1.00 0.32 H new ATOM 0 HD23 LEU A 61 16.875 20.510 -11.937 1.00 0.32 H new ATOM 977 N LYS A 62 13.299 20.794 -15.128 1.00 0.19 N ATOM 978 CA LYS A 62 12.332 20.629 -16.246 1.00 0.23 C ATOM 979 C LYS A 62 12.758 19.620 -17.348 1.00 0.33 C ATOM 980 O LYS A 62 13.151 19.868 -18.475 1.00 0.56 O ATOM 981 CB LYS A 62 11.867 21.998 -16.715 1.00 0.27 C ATOM 982 CG LYS A 62 10.896 21.705 -17.866 1.00 0.34 C ATOM 983 CD LYS A 62 11.528 22.222 -19.188 1.00 0.40 C ATOM 984 CE LYS A 62 10.847 21.611 -20.421 1.00 1.37 C ATOM 985 NZ LYS A 62 11.359 20.210 -20.597 1.00 1.99 N ATOM 0 H LYS A 62 13.096 21.606 -14.545 1.00 0.19 H new ATOM 0 HA LYS A 62 11.450 20.113 -15.867 1.00 0.23 H new ATOM 0 HB2 LYS A 62 11.375 22.546 -15.911 1.00 0.27 H new ATOM 0 HB3 LYS A 62 12.706 22.608 -17.050 1.00 0.27 H new ATOM 0 HG2 LYS A 62 10.700 20.635 -17.933 1.00 0.34 H new ATOM 0 HG3 LYS A 62 9.938 22.194 -17.687 1.00 0.34 H new ATOM 0 HD2 LYS A 62 11.448 23.308 -19.229 1.00 0.40 H new ATOM 0 HD3 LYS A 62 12.591 21.980 -19.202 1.00 0.40 H new ATOM 0 HE2 LYS A 62 9.764 21.606 -20.294 1.00 1.37 H new ATOM 0 HE3 LYS A 62 11.061 22.208 -21.308 1.00 1.37 H new ATOM 0 HZ1 LYS A 62 11.604 20.053 -21.595 1.00 1.99 H new ATOM 0 HZ2 LYS A 62 12.204 20.073 -20.007 1.00 1.99 H new ATOM 0 HZ3 LYS A 62 10.623 19.533 -20.311 1.00 1.99 H new ATOM 999 N GLY A 63 12.568 18.441 -16.862 1.00 0.25 N ATOM 1000 CA GLY A 63 12.858 17.162 -17.570 1.00 0.34 C ATOM 1001 C GLY A 63 13.840 16.231 -16.830 1.00 0.19 C ATOM 1002 O GLY A 63 14.434 15.400 -17.484 1.00 0.17 O ATOM 0 H GLY A 63 12.192 18.295 -15.925 1.00 0.25 H new ATOM 0 HA2 GLY A 63 11.921 16.629 -17.729 1.00 0.34 H new ATOM 0 HA3 GLY A 63 13.266 17.391 -18.555 1.00 0.34 H new ATOM 1006 N THR A 64 14.028 16.336 -15.529 1.00 0.20 N ATOM 1007 CA THR A 64 14.980 15.406 -14.824 1.00 0.28 C ATOM 1008 C THR A 64 14.225 14.086 -14.615 1.00 0.39 C ATOM 1009 O THR A 64 13.010 14.134 -14.566 1.00 0.40 O ATOM 1010 CB THR A 64 15.212 16.023 -13.405 1.00 0.30 C ATOM 1011 OG1 THR A 64 16.611 16.221 -13.305 1.00 0.34 O ATOM 1012 CG2 THR A 64 14.870 15.089 -12.206 1.00 0.32 C ATOM 0 H THR A 64 13.567 17.020 -14.929 1.00 0.20 H new ATOM 0 HA THR A 64 15.911 15.261 -15.372 1.00 0.28 H new ATOM 0 HB THR A 64 14.573 16.903 -13.336 1.00 0.30 H new ATOM 0 HG1 THR A 64 16.825 16.611 -12.432 1.00 0.34 H new ATOM 0 HG21 THR A 64 15.066 15.612 -11.270 1.00 0.32 H new ATOM 0 HG22 THR A 64 13.818 14.809 -12.252 1.00 0.32 H new ATOM 0 HG23 THR A 64 15.487 14.192 -12.256 1.00 0.32 H new ATOM 1020 N SER A 65 14.870 12.947 -14.493 1.00 0.43 N ATOM 1021 CA SER A 65 14.058 11.690 -14.276 1.00 0.47 C ATOM 1022 C SER A 65 12.994 11.971 -13.201 1.00 0.20 C ATOM 1023 O SER A 65 13.324 12.171 -12.046 1.00 0.29 O ATOM 1024 CB SER A 65 14.937 10.453 -13.901 1.00 0.71 C ATOM 1025 OG SER A 65 14.064 9.590 -13.162 1.00 1.49 O ATOM 0 H SER A 65 15.882 12.827 -14.531 1.00 0.43 H new ATOM 0 HA SER A 65 13.575 11.427 -15.217 1.00 0.47 H new ATOM 0 HB2 SER A 65 15.321 9.957 -14.792 1.00 0.71 H new ATOM 0 HB3 SER A 65 15.800 10.748 -13.303 1.00 0.71 H new ATOM 0 HG SER A 65 14.552 8.784 -12.892 1.00 1.49 H new ATOM 1031 N LYS A 66 11.765 12.023 -13.636 1.00 0.25 N ATOM 1032 CA LYS A 66 10.611 12.273 -12.722 1.00 0.44 C ATOM 1033 C LYS A 66 10.805 11.474 -11.407 1.00 0.40 C ATOM 1034 O LYS A 66 10.450 11.889 -10.320 1.00 0.45 O ATOM 1035 CB LYS A 66 9.410 11.747 -13.489 1.00 0.67 C ATOM 1036 CG LYS A 66 8.129 11.973 -12.700 1.00 0.56 C ATOM 1037 CD LYS A 66 7.001 11.125 -13.349 1.00 0.63 C ATOM 1038 CE LYS A 66 5.910 10.975 -12.324 1.00 1.59 C ATOM 1039 NZ LYS A 66 6.494 10.123 -11.241 1.00 2.62 N ATOM 0 H LYS A 66 11.505 11.899 -14.614 1.00 0.25 H new ATOM 0 HA LYS A 66 10.502 13.322 -12.448 1.00 0.44 H new ATOM 0 HB2 LYS A 66 9.341 12.247 -14.455 1.00 0.67 H new ATOM 0 HB3 LYS A 66 9.537 10.683 -13.689 1.00 0.67 H new ATOM 0 HG2 LYS A 66 8.269 11.685 -11.658 1.00 0.56 H new ATOM 0 HG3 LYS A 66 7.861 13.030 -12.706 1.00 0.56 H new ATOM 0 HD2 LYS A 66 6.621 11.613 -14.246 1.00 0.63 H new ATOM 0 HD3 LYS A 66 7.380 10.149 -13.653 1.00 0.63 H new ATOM 0 HE2 LYS A 66 5.600 11.945 -11.936 1.00 1.59 H new ATOM 0 HE3 LYS A 66 5.026 10.508 -12.757 1.00 1.59 H new ATOM 0 HZ1 LYS A 66 5.782 9.438 -10.916 1.00 2.62 H new ATOM 0 HZ2 LYS A 66 7.323 9.613 -11.609 1.00 2.62 H new ATOM 0 HZ3 LYS A 66 6.784 10.725 -10.444 1.00 2.62 H new ATOM 1053 N GLU A 67 11.402 10.330 -11.574 1.00 0.35 N ATOM 1054 CA GLU A 67 11.694 9.378 -10.480 1.00 0.46 C ATOM 1055 C GLU A 67 12.909 9.902 -9.709 1.00 0.36 C ATOM 1056 O GLU A 67 12.913 9.910 -8.488 1.00 0.39 O ATOM 1057 CB GLU A 67 11.977 8.050 -11.200 1.00 0.56 C ATOM 1058 CG GLU A 67 10.659 7.388 -11.771 1.00 1.17 C ATOM 1059 CD GLU A 67 9.882 8.317 -12.705 1.00 2.83 C ATOM 1060 OE1 GLU A 67 10.419 8.571 -13.772 1.00 3.80 O ATOM 1061 OE2 GLU A 67 8.801 8.711 -12.276 1.00 3.43 O ATOM 0 H GLU A 67 11.717 10.002 -12.487 1.00 0.35 H new ATOM 0 HA GLU A 67 10.890 9.253 -9.754 1.00 0.46 H new ATOM 0 HB2 GLU A 67 12.678 8.223 -12.017 1.00 0.56 H new ATOM 0 HB3 GLU A 67 12.459 7.359 -10.508 1.00 0.56 H new ATOM 0 HG2 GLU A 67 10.920 6.476 -12.308 1.00 1.17 H new ATOM 0 HG3 GLU A 67 10.016 7.096 -10.941 1.00 1.17 H new ATOM 1068 N ASP A 68 13.936 10.328 -10.405 1.00 0.27 N ATOM 1069 CA ASP A 68 15.109 10.857 -9.672 1.00 0.31 C ATOM 1070 C ASP A 68 14.632 11.923 -8.718 1.00 0.28 C ATOM 1071 O ASP A 68 14.921 11.888 -7.545 1.00 0.46 O ATOM 1072 CB ASP A 68 16.143 11.380 -10.628 1.00 0.30 C ATOM 1073 CG ASP A 68 17.313 10.428 -10.641 1.00 1.04 C ATOM 1074 OD1 ASP A 68 17.093 9.238 -10.763 1.00 1.23 O ATOM 1075 OD2 ASP A 68 18.421 10.896 -10.515 1.00 2.05 O ATOM 0 H ASP A 68 14.006 10.330 -11.423 1.00 0.27 H new ATOM 0 HA ASP A 68 15.588 10.061 -9.103 1.00 0.31 H new ATOM 0 HB2 ASP A 68 15.720 11.473 -11.628 1.00 0.30 H new ATOM 0 HB3 ASP A 68 16.469 12.375 -10.325 1.00 0.30 H new ATOM 1080 N ALA A 69 13.901 12.824 -9.308 1.00 0.05 N ATOM 1081 CA ALA A 69 13.302 13.976 -8.580 1.00 0.06 C ATOM 1082 C ALA A 69 12.803 13.465 -7.206 1.00 0.10 C ATOM 1083 O ALA A 69 13.134 14.047 -6.197 1.00 0.15 O ATOM 1084 CB ALA A 69 12.215 14.530 -9.481 1.00 0.12 C ATOM 0 H ALA A 69 13.686 12.808 -10.305 1.00 0.05 H new ATOM 0 HA ALA A 69 14.000 14.786 -8.365 1.00 0.06 H new ATOM 0 HB1 ALA A 69 11.739 15.382 -8.995 1.00 0.12 H new ATOM 0 HB2 ALA A 69 12.654 14.850 -10.426 1.00 0.12 H new ATOM 0 HB3 ALA A 69 11.470 13.757 -9.670 1.00 0.12 H new ATOM 1090 N MET A 70 12.040 12.397 -7.210 1.00 0.09 N ATOM 1091 CA MET A 70 11.474 11.746 -6.020 1.00 0.10 C ATOM 1092 C MET A 70 12.514 11.098 -5.103 1.00 0.13 C ATOM 1093 O MET A 70 12.609 11.394 -3.931 1.00 0.19 O ATOM 1094 CB MET A 70 10.568 10.600 -6.561 1.00 0.20 C ATOM 1095 CG MET A 70 9.277 11.179 -7.166 1.00 0.28 C ATOM 1096 SD MET A 70 7.889 10.109 -7.626 1.00 0.54 S ATOM 1097 CE MET A 70 6.534 11.251 -7.235 1.00 0.59 C ATOM 0 H MET A 70 11.777 11.926 -8.076 1.00 0.09 H new ATOM 0 HA MET A 70 10.962 12.505 -5.429 1.00 0.10 H new ATOM 0 HB2 MET A 70 11.106 10.028 -7.316 1.00 0.20 H new ATOM 0 HB3 MET A 70 10.322 9.910 -5.754 1.00 0.20 H new ATOM 0 HG2 MET A 70 8.892 11.909 -6.454 1.00 0.28 H new ATOM 0 HG3 MET A 70 9.565 11.728 -8.062 1.00 0.28 H new ATOM 0 HE1 MET A 70 5.669 11.016 -7.856 1.00 0.59 H new ATOM 0 HE2 MET A 70 6.264 11.149 -6.184 1.00 0.59 H new ATOM 0 HE3 MET A 70 6.853 12.275 -7.430 1.00 0.59 H new ATOM 1107 N LYS A 71 13.277 10.202 -5.662 1.00 0.15 N ATOM 1108 CA LYS A 71 14.342 9.485 -4.892 1.00 0.27 C ATOM 1109 C LYS A 71 15.112 10.568 -4.160 1.00 0.27 C ATOM 1110 O LYS A 71 15.125 10.656 -2.950 1.00 0.26 O ATOM 1111 CB LYS A 71 15.180 8.659 -5.910 1.00 0.41 C ATOM 1112 CG LYS A 71 16.526 9.218 -6.382 1.00 1.73 C ATOM 1113 CD LYS A 71 17.179 8.266 -7.417 1.00 1.54 C ATOM 1114 CE LYS A 71 18.562 8.826 -7.792 1.00 2.76 C ATOM 1115 NZ LYS A 71 18.877 8.427 -9.188 1.00 3.13 N ATOM 0 H LYS A 71 13.209 9.928 -6.642 1.00 0.15 H new ATOM 0 HA LYS A 71 13.981 8.771 -4.152 1.00 0.27 H new ATOM 0 HB2 LYS A 71 15.366 7.680 -5.468 1.00 0.41 H new ATOM 0 HB3 LYS A 71 14.562 8.498 -6.793 1.00 0.41 H new ATOM 0 HG2 LYS A 71 16.381 10.203 -6.826 1.00 1.73 H new ATOM 0 HG3 LYS A 71 17.191 9.348 -5.529 1.00 1.73 H new ATOM 0 HD2 LYS A 71 17.277 7.263 -7.000 1.00 1.54 H new ATOM 0 HD3 LYS A 71 16.551 8.183 -8.304 1.00 1.54 H new ATOM 0 HE2 LYS A 71 18.567 9.912 -7.699 1.00 2.76 H new ATOM 0 HE3 LYS A 71 19.322 8.444 -7.110 1.00 2.76 H new ATOM 0 HZ1 LYS A 71 19.498 9.140 -9.621 1.00 3.13 H new ATOM 0 HZ2 LYS A 71 19.357 7.505 -9.185 1.00 3.13 H new ATOM 0 HZ3 LYS A 71 17.996 8.357 -9.736 1.00 3.13 H new ATOM 1129 N ALA A 72 15.678 11.365 -5.014 1.00 0.32 N ATOM 1130 CA ALA A 72 16.505 12.530 -4.614 1.00 0.32 C ATOM 1131 C ALA A 72 15.751 13.239 -3.474 1.00 0.24 C ATOM 1132 O ALA A 72 16.225 13.344 -2.364 1.00 0.24 O ATOM 1133 CB ALA A 72 16.690 13.365 -5.876 1.00 0.39 C ATOM 0 H ALA A 72 15.596 11.249 -6.024 1.00 0.32 H new ATOM 0 HA ALA A 72 17.497 12.291 -4.231 1.00 0.32 H new ATOM 0 HB1 ALA A 72 17.294 14.243 -5.646 1.00 0.39 H new ATOM 0 HB2 ALA A 72 17.192 12.768 -6.637 1.00 0.39 H new ATOM 0 HB3 ALA A 72 15.716 13.682 -6.248 1.00 0.39 H new ATOM 1139 N TYR A 73 14.575 13.702 -3.795 1.00 0.20 N ATOM 1140 CA TYR A 73 13.718 14.396 -2.802 1.00 0.16 C ATOM 1141 C TYR A 73 13.774 13.777 -1.399 1.00 0.15 C ATOM 1142 O TYR A 73 14.027 14.476 -0.446 1.00 0.15 O ATOM 1143 CB TYR A 73 12.324 14.183 -3.285 1.00 0.12 C ATOM 1144 CG TYR A 73 11.325 15.041 -2.574 1.00 0.20 C ATOM 1145 CD1 TYR A 73 11.184 16.336 -2.950 1.00 0.74 C ATOM 1146 CD2 TYR A 73 10.564 14.537 -1.558 1.00 0.95 C ATOM 1147 CE1 TYR A 73 10.283 17.138 -2.304 1.00 0.76 C ATOM 1148 CE2 TYR A 73 9.666 15.346 -0.929 1.00 0.98 C ATOM 1149 CZ TYR A 73 9.519 16.657 -1.293 1.00 0.38 C ATOM 1150 OH TYR A 73 8.625 17.520 -0.696 1.00 0.47 O ATOM 0 H TYR A 73 14.166 13.625 -4.726 1.00 0.20 H new ATOM 0 HA TYR A 73 14.046 15.432 -2.721 1.00 0.16 H new ATOM 0 HB2 TYR A 73 12.279 14.391 -4.354 1.00 0.12 H new ATOM 0 HB3 TYR A 73 12.055 13.135 -3.153 1.00 0.12 H new ATOM 0 HD1 TYR A 73 11.781 16.733 -3.757 1.00 0.74 H new ATOM 0 HD2 TYR A 73 10.673 13.506 -1.256 1.00 0.95 H new ATOM 0 HE1 TYR A 73 10.179 18.170 -2.604 1.00 0.76 H new ATOM 0 HE2 TYR A 73 9.060 14.946 -0.130 1.00 0.98 H new ATOM 0 HH TYR A 73 7.844 17.635 -1.276 1.00 0.47 H new ATOM 1160 N ILE A 74 13.542 12.487 -1.327 1.00 0.14 N ATOM 1161 CA ILE A 74 13.557 11.793 0.020 1.00 0.12 C ATOM 1162 C ILE A 74 15.013 11.824 0.482 1.00 0.14 C ATOM 1163 O ILE A 74 15.360 12.426 1.484 1.00 0.16 O ATOM 1164 CB ILE A 74 13.312 10.220 -0.013 1.00 0.14 C ATOM 1165 CG1 ILE A 74 12.280 9.743 -1.016 1.00 0.13 C ATOM 1166 CG2 ILE A 74 12.956 9.816 1.434 1.00 0.15 C ATOM 1167 CD1 ILE A 74 12.727 8.353 -1.520 1.00 0.60 C ATOM 0 H ILE A 74 13.345 11.884 -2.126 1.00 0.14 H new ATOM 0 HA ILE A 74 12.788 12.290 0.612 1.00 0.12 H new ATOM 0 HB ILE A 74 14.218 9.728 -0.367 1.00 0.14 H new ATOM 0 HG12 ILE A 74 11.295 9.684 -0.553 1.00 0.13 H new ATOM 0 HG13 ILE A 74 12.201 10.444 -1.847 1.00 0.13 H new ATOM 0 HG21 ILE A 74 12.775 8.742 1.478 1.00 0.15 H new ATOM 0 HG22 ILE A 74 13.782 10.072 2.097 1.00 0.15 H new ATOM 0 HG23 ILE A 74 12.059 10.348 1.750 1.00 0.15 H new ATOM 0 HD11 ILE A 74 12.004 7.979 -2.246 1.00 0.60 H new ATOM 0 HD12 ILE A 74 13.706 8.435 -1.992 1.00 0.60 H new ATOM 0 HD13 ILE A 74 12.786 7.663 -0.679 1.00 0.60 H new ATOM 1179 N ASP A 75 15.788 11.137 -0.334 1.00 0.18 N ATOM 1180 CA ASP A 75 17.244 10.950 -0.187 1.00 0.28 C ATOM 1181 C ASP A 75 17.906 12.183 0.431 1.00 0.28 C ATOM 1182 O ASP A 75 18.838 12.109 1.206 1.00 0.31 O ATOM 1183 CB ASP A 75 17.766 10.567 -1.610 1.00 0.31 C ATOM 1184 CG ASP A 75 17.296 9.213 -2.172 1.00 0.52 C ATOM 1185 OD1 ASP A 75 16.572 8.529 -1.468 1.00 0.82 O ATOM 1186 OD2 ASP A 75 17.708 8.960 -3.294 1.00 1.56 O ATOM 0 H ASP A 75 15.417 10.667 -1.160 1.00 0.18 H new ATOM 0 HA ASP A 75 17.499 10.155 0.514 1.00 0.28 H new ATOM 0 HB2 ASP A 75 17.463 11.349 -2.306 1.00 0.31 H new ATOM 0 HB3 ASP A 75 18.856 10.566 -1.585 1.00 0.31 H new ATOM 1191 N LYS A 76 17.360 13.298 0.031 1.00 0.26 N ATOM 1192 CA LYS A 76 17.817 14.634 0.485 1.00 0.24 C ATOM 1193 C LYS A 76 16.944 15.232 1.605 1.00 0.19 C ATOM 1194 O LYS A 76 17.483 15.875 2.477 1.00 0.19 O ATOM 1195 CB LYS A 76 17.747 15.530 -0.754 1.00 0.28 C ATOM 1196 CG LYS A 76 18.972 16.487 -0.868 1.00 0.10 C ATOM 1197 CD LYS A 76 18.794 17.675 0.146 1.00 1.65 C ATOM 1198 CE LYS A 76 20.070 18.497 0.295 1.00 1.70 C ATOM 1199 NZ LYS A 76 21.049 17.635 1.025 1.00 1.00 N ATOM 0 H LYS A 76 16.578 13.333 -0.624 1.00 0.26 H new ATOM 0 HA LYS A 76 18.818 14.555 0.908 1.00 0.24 H new ATOM 0 HB2 LYS A 76 17.693 14.907 -1.647 1.00 0.28 H new ATOM 0 HB3 LYS A 76 16.831 16.120 -0.721 1.00 0.28 H new ATOM 0 HG2 LYS A 76 19.893 15.945 -0.654 1.00 0.10 H new ATOM 0 HG3 LYS A 76 19.056 16.870 -1.885 1.00 0.10 H new ATOM 0 HD2 LYS A 76 17.984 18.321 -0.192 1.00 1.65 H new ATOM 0 HD3 LYS A 76 18.502 17.280 1.119 1.00 1.65 H new ATOM 0 HE2 LYS A 76 20.461 18.787 -0.680 1.00 1.70 H new ATOM 0 HE3 LYS A 76 19.876 19.417 0.847 1.00 1.70 H new ATOM 0 HZ1 LYS A 76 21.235 18.040 1.965 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 20.656 16.678 1.132 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 21.938 17.586 0.487 1.00 1.00 H new ATOM 1213 N VAL A 77 15.643 15.032 1.596 1.00 0.20 N ATOM 1214 CA VAL A 77 14.730 15.574 2.628 1.00 0.24 C ATOM 1215 C VAL A 77 15.308 15.331 3.973 1.00 0.25 C ATOM 1216 O VAL A 77 15.195 16.165 4.839 1.00 0.34 O ATOM 1217 CB VAL A 77 13.362 14.899 2.432 1.00 0.21 C ATOM 1218 CG1 VAL A 77 12.756 14.546 3.749 1.00 0.22 C ATOM 1219 CG2 VAL A 77 12.436 15.882 1.720 1.00 0.30 C ATOM 0 H VAL A 77 15.168 14.488 0.876 1.00 0.20 H new ATOM 0 HA VAL A 77 14.600 16.652 2.537 1.00 0.24 H new ATOM 0 HB VAL A 77 13.495 13.989 1.847 1.00 0.21 H new ATOM 0 HG11 VAL A 77 11.789 14.070 3.589 1.00 0.22 H new ATOM 0 HG12 VAL A 77 13.415 13.859 4.280 1.00 0.22 H new ATOM 0 HG13 VAL A 77 12.621 15.451 4.342 1.00 0.22 H new ATOM 0 HG21 VAL A 77 11.460 15.420 1.572 1.00 0.30 H new ATOM 0 HG22 VAL A 77 12.324 16.781 2.326 1.00 0.30 H new ATOM 0 HG23 VAL A 77 12.862 16.148 0.753 1.00 0.30 H new ATOM 1229 N GLU A 78 15.884 14.174 4.110 1.00 0.19 N ATOM 1230 CA GLU A 78 16.511 13.843 5.433 1.00 0.27 C ATOM 1231 C GLU A 78 17.241 15.099 5.986 1.00 0.41 C ATOM 1232 O GLU A 78 17.015 15.538 7.102 1.00 0.75 O ATOM 1233 CB GLU A 78 17.413 12.620 5.309 1.00 0.28 C ATOM 1234 CG GLU A 78 18.219 12.485 6.648 1.00 1.21 C ATOM 1235 CD GLU A 78 17.383 12.356 7.943 1.00 1.20 C ATOM 1236 OE1 GLU A 78 16.166 12.247 7.899 1.00 1.33 O ATOM 1237 OE2 GLU A 78 18.057 12.369 8.958 1.00 2.16 O ATOM 0 H GLU A 78 15.952 13.455 3.390 1.00 0.19 H new ATOM 0 HA GLU A 78 15.743 13.573 6.158 1.00 0.27 H new ATOM 0 HB2 GLU A 78 16.820 11.724 5.128 1.00 0.28 H new ATOM 0 HB3 GLU A 78 18.092 12.729 4.463 1.00 0.28 H new ATOM 0 HG2 GLU A 78 18.866 11.611 6.571 1.00 1.21 H new ATOM 0 HG3 GLU A 78 18.868 13.355 6.745 1.00 1.21 H new ATOM 1244 N GLU A 79 18.091 15.634 5.146 1.00 0.22 N ATOM 1245 CA GLU A 79 18.877 16.850 5.493 1.00 0.34 C ATOM 1246 C GLU A 79 17.974 17.826 6.261 1.00 0.34 C ATOM 1247 O GLU A 79 18.384 18.320 7.285 1.00 0.52 O ATOM 1248 CB GLU A 79 19.528 17.378 4.194 1.00 0.35 C ATOM 1249 CG GLU A 79 20.732 16.396 3.870 1.00 0.15 C ATOM 1250 CD GLU A 79 22.050 17.091 4.179 1.00 1.02 C ATOM 1251 OE1 GLU A 79 22.407 17.069 5.350 1.00 2.23 O ATOM 1252 OE2 GLU A 79 22.593 17.600 3.212 1.00 1.07 O ATOM 0 H GLU A 79 18.275 15.267 4.212 1.00 0.22 H new ATOM 0 HA GLU A 79 19.705 16.659 6.176 1.00 0.34 H new ATOM 0 HB2 GLU A 79 18.808 17.393 3.376 1.00 0.35 H new ATOM 0 HB3 GLU A 79 19.884 18.400 4.325 1.00 0.35 H new ATOM 0 HG2 GLU A 79 20.642 15.485 4.461 1.00 0.15 H new ATOM 0 HG3 GLU A 79 20.702 16.100 2.821 1.00 0.15 H new ATOM 1259 N LEU A 80 16.784 18.044 5.759 1.00 0.18 N ATOM 1260 CA LEU A 80 15.761 18.950 6.355 1.00 0.18 C ATOM 1261 C LEU A 80 15.102 18.370 7.566 1.00 0.26 C ATOM 1262 O LEU A 80 14.928 19.014 8.580 1.00 0.27 O ATOM 1263 CB LEU A 80 14.757 19.117 5.298 1.00 0.18 C ATOM 1264 CG LEU A 80 15.496 19.592 4.041 1.00 0.18 C ATOM 1265 CD1 LEU A 80 14.403 20.083 3.251 1.00 0.19 C ATOM 1266 CD2 LEU A 80 16.464 20.737 4.329 1.00 0.23 C ATOM 0 H LEU A 80 16.465 17.596 4.900 1.00 0.18 H new ATOM 0 HA LEU A 80 16.224 19.881 6.683 1.00 0.18 H new ATOM 0 HB2 LEU A 80 14.239 18.177 5.108 1.00 0.18 H new ATOM 0 HB3 LEU A 80 14.001 19.843 5.597 1.00 0.18 H new ATOM 0 HG LEU A 80 16.104 18.811 3.584 1.00 0.18 H new ATOM 0 HD11 LEU A 80 14.782 20.464 2.302 1.00 0.19 H new ATOM 0 HD12 LEU A 80 13.698 19.273 3.062 1.00 0.19 H new ATOM 0 HD13 LEU A 80 13.898 20.886 3.788 1.00 0.19 H new ATOM 0 HD21 LEU A 80 16.960 21.035 3.405 1.00 0.23 H new ATOM 0 HD22 LEU A 80 15.913 21.586 4.735 1.00 0.23 H new ATOM 0 HD23 LEU A 80 17.210 20.409 5.053 1.00 0.23 H new ATOM 1278 N LYS A 81 14.745 17.144 7.397 1.00 0.33 N ATOM 1279 CA LYS A 81 14.082 16.370 8.485 1.00 0.42 C ATOM 1280 C LYS A 81 14.977 16.444 9.724 1.00 0.43 C ATOM 1281 O LYS A 81 14.530 16.280 10.838 1.00 0.46 O ATOM 1282 CB LYS A 81 13.971 14.993 7.946 1.00 0.46 C ATOM 1283 CG LYS A 81 13.154 14.074 8.893 1.00 0.54 C ATOM 1284 CD LYS A 81 12.584 12.887 8.063 1.00 1.08 C ATOM 1285 CE LYS A 81 11.796 11.926 8.970 1.00 1.01 C ATOM 1286 NZ LYS A 81 10.621 11.381 8.216 1.00 1.81 N ATOM 0 H LYS A 81 14.884 16.623 6.531 1.00 0.33 H new ATOM 0 HA LYS A 81 13.100 16.741 8.777 1.00 0.42 H new ATOM 0 HB2 LYS A 81 13.495 15.022 6.966 1.00 0.46 H new ATOM 0 HB3 LYS A 81 14.968 14.576 7.804 1.00 0.46 H new ATOM 0 HG2 LYS A 81 13.787 13.703 9.699 1.00 0.54 H new ATOM 0 HG3 LYS A 81 12.343 14.635 9.358 1.00 0.54 H new ATOM 0 HD2 LYS A 81 11.935 13.266 7.273 1.00 1.08 H new ATOM 0 HD3 LYS A 81 13.399 12.351 7.576 1.00 1.08 H new ATOM 0 HE2 LYS A 81 12.440 11.111 9.301 1.00 1.01 H new ATOM 0 HE3 LYS A 81 11.457 12.448 9.865 1.00 1.01 H new ATOM 0 HZ1 LYS A 81 9.854 11.160 8.882 1.00 1.81 H new ATOM 0 HZ2 LYS A 81 10.290 12.089 7.530 1.00 1.81 H new ATOM 0 HZ3 LYS A 81 10.903 10.516 7.712 1.00 1.81 H new ATOM 1300 N LYS A 82 16.233 16.689 9.465 1.00 0.39 N ATOM 1301 CA LYS A 82 17.227 16.800 10.546 1.00 0.41 C ATOM 1302 C LYS A 82 17.436 18.304 10.807 1.00 0.48 C ATOM 1303 O LYS A 82 17.251 18.807 11.892 1.00 0.68 O ATOM 1304 CB LYS A 82 18.444 16.045 9.963 1.00 0.47 C ATOM 1305 CG LYS A 82 19.723 16.824 10.037 1.00 1.69 C ATOM 1306 CD LYS A 82 20.892 15.871 9.634 1.00 1.68 C ATOM 1307 CE LYS A 82 22.109 16.684 9.206 1.00 3.40 C ATOM 1308 NZ LYS A 82 21.653 17.450 8.013 1.00 4.43 N ATOM 0 H LYS A 82 16.610 16.818 8.526 1.00 0.39 H new ATOM 0 HA LYS A 82 16.972 16.375 11.517 1.00 0.41 H new ATOM 0 HB2 LYS A 82 18.569 15.105 10.500 1.00 0.47 H new ATOM 0 HB3 LYS A 82 18.241 15.793 8.922 1.00 0.47 H new ATOM 0 HG2 LYS A 82 19.685 17.684 9.368 1.00 1.69 H new ATOM 0 HG3 LYS A 82 19.876 17.210 11.045 1.00 1.69 H new ATOM 0 HD2 LYS A 82 21.152 15.227 10.474 1.00 1.68 H new ATOM 0 HD3 LYS A 82 20.576 15.220 8.819 1.00 1.68 H new ATOM 0 HE2 LYS A 82 22.439 17.351 10.002 1.00 3.40 H new ATOM 0 HE3 LYS A 82 22.952 16.037 8.962 1.00 3.40 H new ATOM 0 HZ1 LYS A 82 22.281 17.247 7.209 1.00 4.43 H new ATOM 0 HZ2 LYS A 82 20.681 17.171 7.772 1.00 4.43 H new ATOM 0 HZ3 LYS A 82 21.679 18.468 8.224 1.00 4.43 H new ATOM 1322 N LYS A 83 17.837 19.002 9.787 1.00 0.38 N ATOM 1323 CA LYS A 83 18.095 20.484 9.853 1.00 0.42 C ATOM 1324 C LYS A 83 17.051 21.348 10.584 1.00 0.32 C ATOM 1325 O LYS A 83 17.381 22.203 11.391 1.00 0.42 O ATOM 1326 CB LYS A 83 18.181 21.026 8.431 1.00 0.49 C ATOM 1327 CG LYS A 83 18.470 22.545 8.461 1.00 0.71 C ATOM 1328 CD LYS A 83 19.825 22.876 9.117 1.00 0.90 C ATOM 1329 CE LYS A 83 19.868 24.343 9.535 1.00 2.06 C ATOM 1330 NZ LYS A 83 19.077 24.511 10.812 1.00 3.95 N ATOM 0 H LYS A 83 18.007 18.597 8.866 1.00 0.38 H new ATOM 0 HA LYS A 83 19.014 20.562 10.435 1.00 0.42 H new ATOM 0 HB2 LYS A 83 18.968 20.508 7.883 1.00 0.49 H new ATOM 0 HB3 LYS A 83 17.247 20.836 7.903 1.00 0.49 H new ATOM 0 HG2 LYS A 83 18.459 22.934 7.443 1.00 0.71 H new ATOM 0 HG3 LYS A 83 17.673 23.052 9.005 1.00 0.71 H new ATOM 0 HD2 LYS A 83 19.981 22.238 9.987 1.00 0.90 H new ATOM 0 HD3 LYS A 83 20.635 22.666 8.419 1.00 0.90 H new ATOM 0 HE2 LYS A 83 20.899 24.662 9.686 1.00 2.06 H new ATOM 0 HE3 LYS A 83 19.451 24.972 8.748 1.00 2.06 H new ATOM 0 HZ1 LYS A 83 18.455 25.340 10.728 1.00 3.95 H new ATOM 0 HZ2 LYS A 83 18.501 23.661 10.978 1.00 3.95 H new ATOM 0 HZ3 LYS A 83 19.730 24.648 11.610 1.00 3.95 H new ATOM 1344 N TYR A 84 15.861 21.057 10.151 1.00 0.28 N ATOM 1345 CA TYR A 84 14.582 21.668 10.618 1.00 0.28 C ATOM 1346 C TYR A 84 13.809 20.647 11.503 1.00 0.21 C ATOM 1347 O TYR A 84 13.356 20.996 12.574 1.00 0.15 O ATOM 1348 CB TYR A 84 13.847 22.035 9.298 1.00 0.30 C ATOM 1349 CG TYR A 84 14.747 22.979 8.492 1.00 0.34 C ATOM 1350 CD1 TYR A 84 15.225 24.140 9.075 1.00 1.14 C ATOM 1351 CD2 TYR A 84 15.123 22.675 7.191 1.00 1.26 C ATOM 1352 CE1 TYR A 84 16.067 24.977 8.377 1.00 1.06 C ATOM 1353 CE2 TYR A 84 15.966 23.528 6.518 1.00 1.34 C ATOM 1354 CZ TYR A 84 16.441 24.672 7.097 1.00 0.42 C ATOM 1355 OH TYR A 84 17.286 25.487 6.382 1.00 0.50 O ATOM 0 H TYR A 84 15.712 20.356 9.426 1.00 0.28 H new ATOM 0 HA TYR A 84 14.701 22.549 11.248 1.00 0.28 H new ATOM 0 HB2 TYR A 84 13.628 21.136 8.723 1.00 0.30 H new ATOM 0 HB3 TYR A 84 12.892 22.514 9.516 1.00 0.30 H new ATOM 0 HD1 TYR A 84 14.935 24.391 10.085 1.00 1.14 H new ATOM 0 HD2 TYR A 84 14.758 21.778 6.712 1.00 1.26 H new ATOM 0 HE1 TYR A 84 16.434 25.879 8.843 1.00 1.06 H new ATOM 0 HE2 TYR A 84 16.260 23.288 5.507 1.00 1.34 H new ATOM 0 HH TYR A 84 17.921 24.937 5.877 1.00 0.50 H new ATOM 1365 N GLY A 85 13.682 19.425 11.041 1.00 0.23 N ATOM 1366 CA GLY A 85 12.959 18.345 11.817 1.00 0.21 C ATOM 1367 C GLY A 85 11.572 18.640 12.369 1.00 0.19 C ATOM 1368 O GLY A 85 11.015 19.694 12.184 1.00 0.27 O ATOM 0 H GLY A 85 14.054 19.117 10.142 1.00 0.23 H new ATOM 0 HA2 GLY A 85 12.877 17.472 11.169 1.00 0.21 H new ATOM 0 HA3 GLY A 85 13.594 18.061 12.656 1.00 0.21 H new ATOM 1372 N ILE A 86 11.027 17.670 13.035 1.00 0.23 N ATOM 1373 CA ILE A 86 9.715 17.706 13.662 1.00 0.38 C ATOM 1374 C ILE A 86 10.057 17.530 15.164 1.00 0.56 C ATOM 1375 O ILE A 86 9.442 18.163 16.003 1.00 0.88 O ATOM 1376 CB ILE A 86 8.946 16.584 12.961 1.00 0.79 C ATOM 1377 CG1 ILE A 86 7.944 16.110 13.922 1.00 1.02 C ATOM 1378 CG2 ILE A 86 9.822 15.361 12.517 1.00 1.50 C ATOM 1379 CD1 ILE A 86 6.717 15.698 13.101 1.00 0.62 C ATOM 1380 OXT ILE A 86 10.966 16.758 15.437 1.00 1.38 O ATOM 0 H ILE A 86 11.501 16.777 13.171 1.00 0.23 H new ATOM 0 HA ILE A 86 9.085 18.592 13.581 1.00 0.38 H new ATOM 0 HB ILE A 86 8.527 16.993 12.042 1.00 0.79 H new ATOM 0 HG12 ILE A 86 8.327 15.267 14.498 1.00 1.02 H new ATOM 0 HG13 ILE A 86 7.689 16.894 14.635 1.00 1.02 H new ATOM 0 HG21 ILE A 86 9.190 14.618 12.030 1.00 1.50 H new ATOM 0 HG22 ILE A 86 10.590 15.697 11.820 1.00 1.50 H new ATOM 0 HG23 ILE A 86 10.296 14.916 13.392 1.00 1.50 H new ATOM 0 HD11 ILE A 86 5.937 15.335 13.770 1.00 0.62 H new ATOM 0 HD12 ILE A 86 6.346 16.558 12.544 1.00 0.62 H new ATOM 0 HD13 ILE A 86 6.994 14.907 12.405 1.00 0.62 H new