USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 573 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 66 LYS NZ :NH3+ -138:sc= -0.903 (180deg=-3.69!) USER MOD Set 1.2: A 70 MET CE :methyl 151:sc= -0.561 (180deg=-2.89!) USER MOD Set 2.1: A 28 TYR OH : rot 15:sc= 0.67 USER MOD Set 2.2: A 32 LYS NZ :NH3+ -125:sc= 1.97 (180deg=0.857) USER MOD Set 3.1: A 29 SER OG : rot -96:sc= -0.337 USER MOD Set 3.2: A 30 HIS : no HD1:sc= -0.985 X(o=-1.3,f=-0.91) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -137:sc= -0.916 (180deg=-1.08) USER MOD Single : A 14 HIS : no HE2:sc= 1.21 K(o=1.2,f=-4.4!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0497 USER MOD Single : A 18 LYS NZ :NH3+ 138:sc= 2.3 (180deg=0.387) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -2.35! C(o=-2.3!,f=-10!) USER MOD Single : A 35 THR OG1 : rot -81:sc= 0.42 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.287) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 95:sc= 0.502 USER MOD Single : A 65 SER OG : rot 125:sc= 0.115! USER MOD Single : A 71 LYS NZ :NH3+ -105:sc= -0.66! (180deg=-3.63!) USER MOD Single : A 73 TYR OH : rot 180:sc= -1.65! USER MOD Single : A 76 LYS NZ :NH3+ -129:sc= -0.362 (180deg=-1.44) USER MOD Single : A 81 LYS NZ :NH3+ -106:sc= -3.59! (180deg=-7.92!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -161:sc= -0.0309 (180deg=-0.649) USER MOD Single : A 84 TYR OH : rot -168:sc= 0.465 USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 3 4.240 7.191 9.938 1.00 1.46 N ATOM 32 CA ALA A 3 3.310 7.661 11.010 1.00 1.56 C ATOM 33 C ALA A 3 4.149 8.200 12.190 1.00 1.22 C ATOM 34 O ALA A 3 3.840 9.220 12.764 1.00 1.29 O ATOM 35 CB ALA A 3 2.432 6.468 11.437 1.00 1.65 C ATOM 0 HA ALA A 3 2.663 8.464 10.658 1.00 1.56 H new ATOM 0 HB1 ALA A 3 1.743 6.785 12.220 1.00 1.65 H new ATOM 0 HB2 ALA A 3 1.865 6.108 10.579 1.00 1.65 H new ATOM 0 HB3 ALA A 3 3.066 5.666 11.815 1.00 1.65 H new ATOM 41 N GLU A 4 5.206 7.491 12.509 1.00 0.90 N ATOM 42 CA GLU A 4 6.114 7.903 13.646 1.00 0.61 C ATOM 43 C GLU A 4 6.638 9.334 13.480 1.00 0.59 C ATOM 44 O GLU A 4 6.927 10.011 14.440 1.00 0.64 O ATOM 45 CB GLU A 4 7.312 6.973 13.729 1.00 0.49 C ATOM 46 CG GLU A 4 6.840 5.468 13.845 1.00 0.70 C ATOM 47 CD GLU A 4 7.922 4.425 13.551 1.00 1.21 C ATOM 48 OE1 GLU A 4 9.054 4.773 13.260 1.00 0.81 O ATOM 49 OE2 GLU A 4 7.548 3.263 13.599 1.00 3.09 O ATOM 0 H GLU A 4 5.487 6.635 12.030 1.00 0.90 H new ATOM 0 HA GLU A 4 5.516 7.848 14.555 1.00 0.61 H new ATOM 0 HB2 GLU A 4 7.937 7.097 12.845 1.00 0.49 H new ATOM 0 HB3 GLU A 4 7.924 7.236 14.592 1.00 0.49 H new ATOM 0 HG2 GLU A 4 6.458 5.299 14.852 1.00 0.70 H new ATOM 0 HG3 GLU A 4 6.008 5.310 13.158 1.00 0.70 H new ATOM 56 N PHE A 5 6.757 9.752 12.266 1.00 0.57 N ATOM 57 CA PHE A 5 7.250 11.132 11.969 1.00 0.60 C ATOM 58 C PHE A 5 6.087 12.091 12.142 1.00 0.67 C ATOM 59 O PHE A 5 6.239 13.047 12.869 1.00 0.61 O ATOM 60 CB PHE A 5 7.746 11.196 10.550 1.00 0.66 C ATOM 61 CG PHE A 5 7.851 12.663 10.121 1.00 0.50 C ATOM 62 CD1 PHE A 5 8.895 13.461 10.529 1.00 2.69 C ATOM 63 CD2 PHE A 5 6.872 13.197 9.314 1.00 2.04 C ATOM 64 CE1 PHE A 5 8.966 14.777 10.133 1.00 2.64 C ATOM 65 CE2 PHE A 5 6.937 14.505 8.921 1.00 2.07 C ATOM 66 CZ PHE A 5 7.978 15.298 9.325 1.00 0.33 C ATOM 0 H PHE A 5 6.532 9.194 11.442 1.00 0.57 H new ATOM 0 HA PHE A 5 8.067 11.397 12.641 1.00 0.60 H new ATOM 0 HB2 PHE A 5 8.718 10.710 10.469 1.00 0.66 H new ATOM 0 HB3 PHE A 5 7.066 10.659 9.889 1.00 0.66 H new ATOM 0 HD1 PHE A 5 9.665 13.051 11.165 1.00 2.69 H new ATOM 0 HD2 PHE A 5 6.048 12.579 8.989 1.00 2.04 H new ATOM 0 HE1 PHE A 5 9.790 15.397 10.453 1.00 2.64 H new ATOM 0 HE2 PHE A 5 6.163 14.915 8.289 1.00 2.07 H new ATOM 0 HZ PHE A 5 8.025 16.330 9.011 1.00 0.33 H new ATOM 76 N ASP A 6 4.982 11.835 11.480 1.00 0.84 N ATOM 77 CA ASP A 6 3.803 12.729 11.613 1.00 0.95 C ATOM 78 C ASP A 6 3.651 12.903 13.116 1.00 0.93 C ATOM 79 O ASP A 6 3.590 13.991 13.638 1.00 1.02 O ATOM 80 CB ASP A 6 2.687 11.987 10.944 1.00 1.03 C ATOM 81 CG ASP A 6 3.101 11.679 9.509 1.00 1.12 C ATOM 82 OD1 ASP A 6 3.430 12.606 8.785 1.00 1.99 O ATOM 83 OD2 ASP A 6 3.079 10.505 9.190 1.00 0.81 O ATOM 0 H ASP A 6 4.853 11.041 10.853 1.00 0.84 H new ATOM 0 HA ASP A 6 3.855 13.718 11.158 1.00 0.95 H new ATOM 0 HB2 ASP A 6 2.470 11.064 11.482 1.00 1.03 H new ATOM 0 HB3 ASP A 6 1.775 12.584 10.955 1.00 1.03 H new ATOM 88 N LYS A 7 3.622 11.766 13.752 1.00 0.87 N ATOM 89 CA LYS A 7 3.501 11.680 15.222 1.00 0.85 C ATOM 90 C LYS A 7 4.603 12.609 15.777 1.00 0.72 C ATOM 91 O LYS A 7 4.268 13.529 16.498 1.00 0.75 O ATOM 92 CB LYS A 7 3.697 10.195 15.597 1.00 0.99 C ATOM 93 CG LYS A 7 3.715 9.991 17.142 1.00 1.07 C ATOM 94 CD LYS A 7 3.982 8.485 17.456 1.00 1.38 C ATOM 95 CE LYS A 7 2.738 7.615 17.227 1.00 0.77 C ATOM 96 NZ LYS A 7 3.168 6.181 17.349 1.00 1.49 N ATOM 0 H LYS A 7 3.680 10.860 13.287 1.00 0.87 H new ATOM 0 HA LYS A 7 2.541 11.994 15.631 1.00 0.85 H new ATOM 0 HB2 LYS A 7 2.895 9.600 15.160 1.00 0.99 H new ATOM 0 HB3 LYS A 7 4.632 9.832 15.171 1.00 0.99 H new ATOM 0 HG2 LYS A 7 4.488 10.612 17.594 1.00 1.07 H new ATOM 0 HG3 LYS A 7 2.764 10.302 17.573 1.00 1.07 H new ATOM 0 HD2 LYS A 7 4.796 8.124 16.828 1.00 1.38 H new ATOM 0 HD3 LYS A 7 4.308 8.384 18.491 1.00 1.38 H new ATOM 0 HE2 LYS A 7 1.966 7.848 17.960 1.00 0.77 H new ATOM 0 HE3 LYS A 7 2.311 7.806 16.242 1.00 0.77 H new ATOM 0 HZ1 LYS A 7 2.348 5.559 17.199 1.00 1.49 H new ATOM 0 HZ2 LYS A 7 3.895 5.974 16.634 1.00 1.49 H new ATOM 0 HZ3 LYS A 7 3.559 6.015 18.298 1.00 1.49 H new ATOM 110 N ALA A 8 5.874 12.406 15.459 1.00 0.60 N ATOM 111 CA ALA A 8 6.883 13.360 16.047 1.00 0.48 C ATOM 112 C ALA A 8 6.481 14.846 15.868 1.00 0.50 C ATOM 113 O ALA A 8 6.593 15.689 16.738 1.00 0.59 O ATOM 114 CB ALA A 8 8.228 13.087 15.372 1.00 0.43 C ATOM 0 H ALA A 8 6.238 11.668 14.856 1.00 0.60 H new ATOM 0 HA ALA A 8 6.939 13.192 17.123 1.00 0.48 H new ATOM 0 HB1 ALA A 8 8.982 13.763 15.776 1.00 0.43 H new ATOM 0 HB2 ALA A 8 8.527 12.056 15.560 1.00 0.43 H new ATOM 0 HB3 ALA A 8 8.135 13.248 14.298 1.00 0.43 H new ATOM 120 N ALA A 9 6.005 15.101 14.688 1.00 0.45 N ATOM 121 CA ALA A 9 5.563 16.474 14.306 1.00 0.46 C ATOM 122 C ALA A 9 4.310 16.941 15.065 1.00 0.44 C ATOM 123 O ALA A 9 4.247 18.096 15.462 1.00 0.42 O ATOM 124 CB ALA A 9 5.347 16.467 12.783 1.00 0.67 C ATOM 0 H ALA A 9 5.899 14.403 13.952 1.00 0.45 H new ATOM 0 HA ALA A 9 6.330 17.196 14.586 1.00 0.46 H new ATOM 0 HB1 ALA A 9 5.022 17.455 12.457 1.00 0.67 H new ATOM 0 HB2 ALA A 9 6.281 16.210 12.284 1.00 0.67 H new ATOM 0 HB3 ALA A 9 4.585 15.731 12.527 1.00 0.67 H new ATOM 130 N GLU A 10 3.354 16.073 15.270 1.00 0.48 N ATOM 131 CA GLU A 10 2.109 16.453 16.005 1.00 0.48 C ATOM 132 C GLU A 10 2.574 16.702 17.430 1.00 0.45 C ATOM 133 O GLU A 10 2.149 17.643 18.069 1.00 0.44 O ATOM 134 CB GLU A 10 1.106 15.308 16.033 1.00 0.52 C ATOM 135 CG GLU A 10 0.613 14.935 14.623 1.00 2.98 C ATOM 136 CD GLU A 10 -0.333 13.730 14.722 1.00 2.97 C ATOM 137 OE1 GLU A 10 0.140 12.726 15.239 1.00 3.85 O ATOM 138 OE2 GLU A 10 -1.460 13.881 14.278 1.00 3.49 O ATOM 0 H GLU A 10 3.383 15.103 14.955 1.00 0.48 H new ATOM 0 HA GLU A 10 1.622 17.307 15.534 1.00 0.48 H new ATOM 0 HB2 GLU A 10 1.565 14.436 16.498 1.00 0.52 H new ATOM 0 HB3 GLU A 10 0.254 15.588 16.652 1.00 0.52 H new ATOM 0 HG2 GLU A 10 0.097 15.781 14.169 1.00 2.98 H new ATOM 0 HG3 GLU A 10 1.460 14.696 13.980 1.00 2.98 H new ATOM 145 N GLU A 11 3.437 15.838 17.889 1.00 0.50 N ATOM 146 CA GLU A 11 3.960 15.984 19.254 1.00 0.58 C ATOM 147 C GLU A 11 4.697 17.311 19.372 1.00 0.53 C ATOM 148 O GLU A 11 4.374 18.065 20.263 1.00 0.54 O ATOM 149 CB GLU A 11 4.823 14.754 19.474 1.00 0.66 C ATOM 150 CG GLU A 11 3.879 13.525 19.722 1.00 0.66 C ATOM 151 CD GLU A 11 3.224 13.636 21.108 1.00 1.60 C ATOM 152 OE1 GLU A 11 2.254 14.370 21.194 1.00 2.96 O ATOM 153 OE2 GLU A 11 3.756 12.976 21.985 1.00 2.56 O ATOM 0 H GLU A 11 3.797 15.039 17.367 1.00 0.50 H new ATOM 0 HA GLU A 11 3.196 16.025 20.030 1.00 0.58 H new ATOM 0 HB2 GLU A 11 5.458 14.576 18.606 1.00 0.66 H new ATOM 0 HB3 GLU A 11 5.485 14.902 20.327 1.00 0.66 H new ATOM 0 HG2 GLU A 11 3.111 13.485 18.950 1.00 0.66 H new ATOM 0 HG3 GLU A 11 4.449 12.598 19.653 1.00 0.66 H new ATOM 160 N VAL A 12 5.654 17.644 18.538 1.00 0.48 N ATOM 161 CA VAL A 12 6.325 18.988 18.721 1.00 0.26 C ATOM 162 C VAL A 12 5.246 20.066 18.750 1.00 0.20 C ATOM 163 O VAL A 12 5.284 20.941 19.597 1.00 0.27 O ATOM 164 CB VAL A 12 7.336 19.214 17.559 1.00 0.36 C ATOM 165 CG1 VAL A 12 6.866 20.198 16.464 1.00 0.40 C ATOM 166 CG2 VAL A 12 8.652 19.749 18.148 1.00 0.30 C ATOM 0 H VAL A 12 5.995 17.074 17.764 1.00 0.48 H new ATOM 0 HA VAL A 12 6.879 19.028 19.659 1.00 0.26 H new ATOM 0 HB VAL A 12 7.449 18.245 17.073 1.00 0.36 H new ATOM 0 HG11 VAL A 12 7.638 20.288 15.700 1.00 0.40 H new ATOM 0 HG12 VAL A 12 5.948 19.825 16.010 1.00 0.40 H new ATOM 0 HG13 VAL A 12 6.680 21.176 16.909 1.00 0.40 H new ATOM 0 HG21 VAL A 12 9.370 19.912 17.345 1.00 0.30 H new ATOM 0 HG22 VAL A 12 8.464 20.691 18.663 1.00 0.30 H new ATOM 0 HG23 VAL A 12 9.056 19.024 18.854 1.00 0.30 H new ATOM 176 N LYS A 13 4.307 20.002 17.836 1.00 0.34 N ATOM 177 CA LYS A 13 3.217 21.040 17.851 1.00 0.64 C ATOM 178 C LYS A 13 2.536 21.183 19.239 1.00 0.52 C ATOM 179 O LYS A 13 1.764 22.098 19.435 1.00 0.49 O ATOM 180 CB LYS A 13 2.158 20.668 16.796 1.00 1.05 C ATOM 181 CG LYS A 13 2.781 20.811 15.397 1.00 1.96 C ATOM 182 CD LYS A 13 1.710 20.398 14.362 1.00 2.50 C ATOM 183 CE LYS A 13 2.331 20.255 12.974 1.00 5.22 C ATOM 184 NZ LYS A 13 3.243 19.058 12.987 1.00 7.19 N ATOM 0 H LYS A 13 4.243 19.300 17.099 1.00 0.34 H new ATOM 0 HA LYS A 13 3.678 22.001 17.623 1.00 0.64 H new ATOM 0 HB2 LYS A 13 1.812 19.646 16.952 1.00 1.05 H new ATOM 0 HB3 LYS A 13 1.287 21.317 16.890 1.00 1.05 H new ATOM 0 HG2 LYS A 13 3.103 21.838 15.225 1.00 1.96 H new ATOM 0 HG3 LYS A 13 3.665 20.180 15.305 1.00 1.96 H new ATOM 0 HD2 LYS A 13 1.253 19.455 14.661 1.00 2.50 H new ATOM 0 HD3 LYS A 13 0.915 21.144 14.336 1.00 2.50 H new ATOM 0 HE2 LYS A 13 1.553 20.132 12.221 1.00 5.22 H new ATOM 0 HE3 LYS A 13 2.888 21.155 12.713 1.00 5.22 H new ATOM 0 HZ1 LYS A 13 4.127 19.289 12.490 1.00 7.19 H new ATOM 0 HZ2 LYS A 13 3.458 18.796 13.970 1.00 7.19 H new ATOM 0 HZ3 LYS A 13 2.776 18.261 12.510 1.00 7.19 H new ATOM 198 N HIS A 14 2.839 20.292 20.143 1.00 0.52 N ATOM 199 CA HIS A 14 2.267 20.313 21.511 1.00 0.50 C ATOM 200 C HIS A 14 3.382 20.462 22.587 1.00 0.43 C ATOM 201 O HIS A 14 3.174 20.067 23.718 1.00 0.66 O ATOM 202 CB HIS A 14 1.450 18.999 21.706 1.00 0.86 C ATOM 203 CG HIS A 14 0.201 19.047 20.825 1.00 0.83 C ATOM 204 ND1 HIS A 14 0.122 18.639 19.606 1.00 0.61 N ATOM 205 CD2 HIS A 14 -1.066 19.519 21.103 1.00 1.03 C ATOM 206 CE1 HIS A 14 -1.078 18.832 19.148 1.00 0.65 C ATOM 207 NE2 HIS A 14 -1.850 19.379 20.052 1.00 0.93 N ATOM 0 H HIS A 14 3.486 19.521 19.977 1.00 0.52 H new ATOM 0 HA HIS A 14 1.612 21.176 21.631 1.00 0.50 H new ATOM 0 HB2 HIS A 14 2.061 18.135 21.445 1.00 0.86 H new ATOM 0 HB3 HIS A 14 1.167 18.885 22.752 1.00 0.86 H new ATOM 0 HD1 HIS A 14 0.890 18.225 19.077 1.00 0.61 H new ATOM 0 HD2 HIS A 14 -1.372 19.943 22.048 1.00 1.03 H new ATOM 0 HE1 HIS A 14 -1.398 18.574 18.149 1.00 0.65 H new ATOM 215 N LEU A 15 4.534 21.007 22.248 1.00 0.80 N ATOM 216 CA LEU A 15 5.597 21.161 23.311 1.00 1.40 C ATOM 217 C LEU A 15 5.132 22.158 24.397 1.00 1.46 C ATOM 218 O LEU A 15 4.597 23.207 24.085 1.00 1.51 O ATOM 219 CB LEU A 15 6.900 21.725 22.704 1.00 2.07 C ATOM 220 CG LEU A 15 7.672 20.712 21.896 1.00 2.33 C ATOM 221 CD1 LEU A 15 8.922 21.412 21.374 1.00 2.96 C ATOM 222 CD2 LEU A 15 8.112 19.555 22.810 1.00 2.80 C ATOM 0 H LEU A 15 4.782 21.342 21.317 1.00 0.80 H new ATOM 0 HA LEU A 15 5.771 20.174 23.739 1.00 1.40 H new ATOM 0 HB2 LEU A 15 6.657 22.577 22.069 1.00 2.07 H new ATOM 0 HB3 LEU A 15 7.535 22.098 23.508 1.00 2.07 H new ATOM 0 HG LEU A 15 7.059 20.321 21.084 1.00 2.33 H new ATOM 0 HD11 LEU A 15 9.511 20.711 20.782 1.00 2.96 H new ATOM 0 HD12 LEU A 15 8.632 22.259 20.752 1.00 2.96 H new ATOM 0 HD13 LEU A 15 9.518 21.767 22.215 1.00 2.96 H new ATOM 0 HD21 LEU A 15 8.670 18.823 22.227 1.00 2.80 H new ATOM 0 HD22 LEU A 15 8.746 19.942 23.608 1.00 2.80 H new ATOM 0 HD23 LEU A 15 7.232 19.079 23.244 1.00 2.80 H new ATOM 234 N LYS A 16 5.353 21.825 25.645 1.00 1.58 N ATOM 235 CA LYS A 16 4.918 22.765 26.732 1.00 1.85 C ATOM 236 C LYS A 16 6.009 23.738 27.267 1.00 1.06 C ATOM 237 O LYS A 16 5.996 24.212 28.391 1.00 1.00 O ATOM 238 CB LYS A 16 4.394 21.805 27.747 1.00 2.56 C ATOM 239 CG LYS A 16 3.666 22.457 28.909 1.00 3.11 C ATOM 240 CD LYS A 16 3.174 21.220 29.623 1.00 2.10 C ATOM 241 CE LYS A 16 2.404 21.462 30.854 1.00 2.64 C ATOM 242 NZ LYS A 16 1.947 20.101 31.262 1.00 4.51 N ATOM 0 H LYS A 16 5.804 20.965 25.957 1.00 1.58 H new ATOM 0 HA LYS A 16 4.189 23.500 26.390 1.00 1.85 H new ATOM 0 HB2 LYS A 16 3.716 21.108 27.254 1.00 2.56 H new ATOM 0 HB3 LYS A 16 5.225 21.218 28.138 1.00 2.56 H new ATOM 0 HG2 LYS A 16 4.326 23.064 29.529 1.00 3.11 H new ATOM 0 HG3 LYS A 16 2.852 23.104 28.583 1.00 3.11 H new ATOM 0 HD2 LYS A 16 2.554 20.647 28.934 1.00 2.10 H new ATOM 0 HD3 LYS A 16 4.034 20.598 29.870 1.00 2.10 H new ATOM 0 HE2 LYS A 16 3.019 21.926 31.626 1.00 2.64 H new ATOM 0 HE3 LYS A 16 1.561 22.130 30.674 1.00 2.64 H new ATOM 0 HZ1 LYS A 16 1.386 20.170 32.135 1.00 4.51 H new ATOM 0 HZ2 LYS A 16 1.362 19.690 30.507 1.00 4.51 H new ATOM 0 HZ3 LYS A 16 2.774 19.493 31.429 1.00 4.51 H new ATOM 256 N THR A 17 6.965 24.038 26.435 1.00 1.25 N ATOM 257 CA THR A 17 8.084 24.975 26.833 1.00 1.17 C ATOM 258 C THR A 17 8.612 25.719 25.597 1.00 2.07 C ATOM 259 O THR A 17 8.138 25.531 24.494 1.00 2.48 O ATOM 260 CB THR A 17 9.211 24.132 27.511 1.00 0.96 C ATOM 261 OG1 THR A 17 8.673 23.607 28.714 1.00 1.05 O ATOM 262 CG2 THR A 17 10.414 24.900 28.071 1.00 1.97 C ATOM 0 H THR A 17 7.031 23.677 25.483 1.00 1.25 H new ATOM 0 HA THR A 17 7.722 25.725 27.537 1.00 1.17 H new ATOM 0 HB THR A 17 9.531 23.453 26.721 1.00 0.96 H new ATOM 0 HG1 THR A 17 9.354 23.068 29.169 1.00 1.05 H new ATOM 0 HG21 THR A 17 11.120 24.197 28.513 1.00 1.97 H new ATOM 0 HG22 THR A 17 10.903 25.448 27.265 1.00 1.97 H new ATOM 0 HG23 THR A 17 10.075 25.602 28.833 1.00 1.97 H new ATOM 270 N LYS A 18 9.588 26.556 25.807 1.00 2.66 N ATOM 271 CA LYS A 18 10.217 27.354 24.703 1.00 3.54 C ATOM 272 C LYS A 18 11.504 26.646 24.219 1.00 3.16 C ATOM 273 O LYS A 18 12.482 26.614 24.944 1.00 3.21 O ATOM 274 CB LYS A 18 10.539 28.771 25.250 1.00 4.53 C ATOM 275 CG LYS A 18 11.483 29.603 24.304 1.00 6.13 C ATOM 276 CD LYS A 18 10.864 29.867 22.885 1.00 5.65 C ATOM 277 CE LYS A 18 11.729 30.920 22.140 1.00 5.66 C ATOM 278 NZ LYS A 18 13.052 30.329 21.764 1.00 7.34 N ATOM 0 H LYS A 18 9.993 26.729 26.727 1.00 2.66 H new ATOM 0 HA LYS A 18 9.538 27.438 23.855 1.00 3.54 H new ATOM 0 HB2 LYS A 18 9.607 29.318 25.394 1.00 4.53 H new ATOM 0 HB3 LYS A 18 11.008 28.677 26.229 1.00 4.53 H new ATOM 0 HG2 LYS A 18 11.710 30.558 24.777 1.00 6.13 H new ATOM 0 HG3 LYS A 18 12.428 29.073 24.188 1.00 6.13 H new ATOM 0 HD2 LYS A 18 10.826 28.940 22.313 1.00 5.65 H new ATOM 0 HD3 LYS A 18 9.839 30.224 22.983 1.00 5.65 H new ATOM 0 HE2 LYS A 18 11.208 31.262 21.246 1.00 5.66 H new ATOM 0 HE3 LYS A 18 11.880 31.793 22.775 1.00 5.66 H new ATOM 0 HZ1 LYS A 18 13.303 30.625 20.799 1.00 7.34 H new ATOM 0 HZ2 LYS A 18 13.781 30.659 22.428 1.00 7.34 H new ATOM 0 HZ3 LYS A 18 12.992 29.291 21.803 1.00 7.34 H new ATOM 292 N PRO A 19 11.491 26.075 23.037 1.00 2.92 N ATOM 293 CA PRO A 19 12.690 25.378 22.492 1.00 2.50 C ATOM 294 C PRO A 19 13.587 26.454 21.856 1.00 2.31 C ATOM 295 O PRO A 19 13.222 27.611 21.784 1.00 2.74 O ATOM 296 CB PRO A 19 12.148 24.388 21.460 1.00 2.37 C ATOM 297 CG PRO A 19 10.600 24.549 21.559 1.00 2.73 C ATOM 298 CD PRO A 19 10.360 25.972 22.078 1.00 3.16 C ATOM 0 HA PRO A 19 13.282 24.844 23.235 1.00 2.50 H new ATOM 0 HB2 PRO A 19 12.510 24.618 20.458 1.00 2.37 H new ATOM 0 HB3 PRO A 19 12.458 23.368 21.685 1.00 2.37 H new ATOM 0 HG2 PRO A 19 10.129 24.403 20.587 1.00 2.73 H new ATOM 0 HG3 PRO A 19 10.172 23.809 22.235 1.00 2.73 H new ATOM 0 HD2 PRO A 19 10.411 26.721 21.288 1.00 3.16 H new ATOM 0 HD3 PRO A 19 9.389 26.084 22.561 1.00 3.16 H new ATOM 306 N ALA A 20 14.742 26.080 21.387 1.00 1.83 N ATOM 307 CA ALA A 20 15.611 27.138 20.765 1.00 1.77 C ATOM 308 C ALA A 20 15.241 27.341 19.268 1.00 1.22 C ATOM 309 O ALA A 20 14.901 26.412 18.553 1.00 1.06 O ATOM 310 CB ALA A 20 17.080 26.689 20.938 1.00 1.93 C ATOM 0 H ALA A 20 15.119 25.132 21.400 1.00 1.83 H new ATOM 0 HA ALA A 20 15.461 28.101 21.252 1.00 1.77 H new ATOM 0 HB1 ALA A 20 17.742 27.434 20.497 1.00 1.93 H new ATOM 0 HB2 ALA A 20 17.306 26.585 21.999 1.00 1.93 H new ATOM 0 HB3 ALA A 20 17.229 25.731 20.439 1.00 1.93 H new ATOM 316 N ASP A 21 15.304 28.568 18.822 1.00 0.95 N ATOM 317 CA ASP A 21 14.973 28.867 17.404 1.00 0.42 C ATOM 318 C ASP A 21 15.754 27.861 16.536 1.00 0.64 C ATOM 319 O ASP A 21 15.196 27.311 15.609 1.00 0.76 O ATOM 320 CB ASP A 21 15.335 30.348 17.233 1.00 0.40 C ATOM 321 CG ASP A 21 14.323 31.168 18.057 1.00 2.49 C ATOM 322 OD1 ASP A 21 14.219 30.944 19.260 1.00 3.88 O ATOM 323 OD2 ASP A 21 13.687 31.986 17.425 1.00 3.46 O ATOM 0 H ASP A 21 15.572 29.376 19.383 1.00 0.95 H new ATOM 0 HA ASP A 21 13.932 28.747 17.103 1.00 0.42 H new ATOM 0 HB2 ASP A 21 16.352 30.537 17.577 1.00 0.40 H new ATOM 0 HB3 ASP A 21 15.295 30.634 16.182 1.00 0.40 H new ATOM 328 N GLU A 22 17.009 27.628 16.838 1.00 0.68 N ATOM 329 CA GLU A 22 17.799 26.643 16.041 1.00 0.81 C ATOM 330 C GLU A 22 17.002 25.309 16.014 1.00 0.81 C ATOM 331 O GLU A 22 16.872 24.684 14.976 1.00 0.67 O ATOM 332 CB GLU A 22 19.201 26.442 16.718 1.00 0.95 C ATOM 333 CG GLU A 22 20.079 27.754 16.742 1.00 0.95 C ATOM 334 CD GLU A 22 21.455 27.493 17.400 1.00 1.22 C ATOM 335 OE1 GLU A 22 22.158 26.663 16.847 1.00 2.28 O ATOM 336 OE2 GLU A 22 21.741 28.130 18.405 1.00 2.58 O ATOM 0 H GLU A 22 17.517 28.077 17.600 1.00 0.68 H new ATOM 0 HA GLU A 22 17.959 26.994 15.022 1.00 0.81 H new ATOM 0 HB2 GLU A 22 19.056 26.092 17.740 1.00 0.95 H new ATOM 0 HB3 GLU A 22 19.744 25.660 16.187 1.00 0.95 H new ATOM 0 HG2 GLU A 22 20.222 28.118 15.725 1.00 0.95 H new ATOM 0 HG3 GLU A 22 19.554 28.537 17.289 1.00 0.95 H new ATOM 343 N GLU A 23 16.449 24.887 17.133 1.00 1.02 N ATOM 344 CA GLU A 23 15.678 23.600 17.120 1.00 1.07 C ATOM 345 C GLU A 23 14.471 23.794 16.189 1.00 1.05 C ATOM 346 O GLU A 23 14.218 22.976 15.329 1.00 1.10 O ATOM 347 CB GLU A 23 15.221 23.261 18.570 1.00 0.97 C ATOM 348 CG GLU A 23 16.477 23.004 19.454 1.00 0.89 C ATOM 349 CD GLU A 23 16.095 22.361 20.789 1.00 0.59 C ATOM 350 OE1 GLU A 23 15.538 23.081 21.621 1.00 0.72 O ATOM 351 OE2 GLU A 23 16.414 21.177 20.819 1.00 0.34 O ATOM 0 H GLU A 23 16.497 25.366 18.032 1.00 1.02 H new ATOM 0 HA GLU A 23 16.288 22.772 16.760 1.00 1.07 H new ATOM 0 HB2 GLU A 23 14.634 24.082 18.981 1.00 0.97 H new ATOM 0 HB3 GLU A 23 14.578 22.381 18.565 1.00 0.97 H new ATOM 0 HG2 GLU A 23 17.173 22.356 18.921 1.00 0.89 H new ATOM 0 HG3 GLU A 23 16.995 23.946 19.636 1.00 0.89 H new ATOM 358 N MET A 24 13.774 24.881 16.394 1.00 0.99 N ATOM 359 CA MET A 24 12.570 25.201 15.553 1.00 0.96 C ATOM 360 C MET A 24 12.987 25.076 14.062 1.00 0.86 C ATOM 361 O MET A 24 12.267 24.488 13.283 1.00 0.80 O ATOM 362 CB MET A 24 12.098 26.628 15.914 1.00 0.94 C ATOM 363 CG MET A 24 11.723 26.672 17.415 1.00 1.14 C ATOM 364 SD MET A 24 11.114 28.252 18.053 1.00 1.50 S ATOM 365 CE MET A 24 9.340 27.896 18.131 1.00 2.12 C ATOM 0 H MET A 24 13.986 25.571 17.115 1.00 0.99 H new ATOM 0 HA MET A 24 11.741 24.517 15.734 1.00 0.96 H new ATOM 0 HB2 MET A 24 12.887 27.350 15.702 1.00 0.94 H new ATOM 0 HB3 MET A 24 11.239 26.906 15.303 1.00 0.94 H new ATOM 0 HG2 MET A 24 10.961 25.914 17.598 1.00 1.14 H new ATOM 0 HG3 MET A 24 12.601 26.387 17.994 1.00 1.14 H new ATOM 0 HE1 MET A 24 8.809 28.771 18.507 1.00 2.12 H new ATOM 0 HE2 MET A 24 8.974 27.650 17.134 1.00 2.12 H new ATOM 0 HE3 MET A 24 9.167 27.052 18.799 1.00 2.12 H new ATOM 375 N LEU A 25 14.128 25.641 13.744 1.00 0.82 N ATOM 376 CA LEU A 25 14.715 25.626 12.382 1.00 0.74 C ATOM 377 C LEU A 25 15.031 24.172 11.942 1.00 0.68 C ATOM 378 O LEU A 25 14.654 23.771 10.859 1.00 0.56 O ATOM 379 CB LEU A 25 15.961 26.525 12.477 1.00 0.77 C ATOM 380 CG LEU A 25 15.562 28.022 12.556 1.00 0.86 C ATOM 381 CD1 LEU A 25 16.780 28.848 12.929 1.00 0.89 C ATOM 382 CD2 LEU A 25 15.123 28.510 11.175 1.00 0.94 C ATOM 0 H LEU A 25 14.703 26.140 14.423 1.00 0.82 H new ATOM 0 HA LEU A 25 14.037 26.003 11.617 1.00 0.74 H new ATOM 0 HB2 LEU A 25 16.544 26.253 13.357 1.00 0.77 H new ATOM 0 HB3 LEU A 25 16.600 26.360 11.609 1.00 0.77 H new ATOM 0 HG LEU A 25 14.762 28.127 13.289 1.00 0.86 H new ATOM 0 HD11 LEU A 25 16.502 29.901 12.985 1.00 0.89 H new ATOM 0 HD12 LEU A 25 17.159 28.520 13.897 1.00 0.89 H new ATOM 0 HD13 LEU A 25 17.554 28.717 12.173 1.00 0.89 H new ATOM 0 HD21 LEU A 25 14.843 29.562 11.233 1.00 0.94 H new ATOM 0 HD22 LEU A 25 15.945 28.391 10.469 1.00 0.94 H new ATOM 0 HD23 LEU A 25 14.268 27.925 10.837 1.00 0.94 H new ATOM 394 N PHE A 26 15.689 23.432 12.806 1.00 0.78 N ATOM 395 CA PHE A 26 16.069 21.998 12.514 1.00 0.76 C ATOM 396 C PHE A 26 14.754 21.285 12.191 1.00 0.71 C ATOM 397 O PHE A 26 14.603 20.653 11.172 1.00 0.58 O ATOM 398 CB PHE A 26 16.726 21.391 13.764 1.00 0.83 C ATOM 399 CG PHE A 26 17.173 19.932 13.527 1.00 0.66 C ATOM 400 CD1 PHE A 26 18.422 19.650 13.008 1.00 2.87 C ATOM 401 CD2 PHE A 26 16.332 18.879 13.838 1.00 1.85 C ATOM 402 CE1 PHE A 26 18.821 18.342 12.810 1.00 2.71 C ATOM 403 CE2 PHE A 26 16.729 17.571 13.640 1.00 2.07 C ATOM 404 CZ PHE A 26 17.976 17.303 13.126 1.00 0.57 C ATOM 0 H PHE A 26 15.988 23.764 13.723 1.00 0.78 H new ATOM 0 HA PHE A 26 16.777 21.907 11.690 1.00 0.76 H new ATOM 0 HB2 PHE A 26 17.588 21.993 14.050 1.00 0.83 H new ATOM 0 HB3 PHE A 26 16.023 21.425 14.597 1.00 0.83 H new ATOM 0 HD1 PHE A 26 19.092 20.458 12.755 1.00 2.87 H new ATOM 0 HD2 PHE A 26 15.351 19.082 14.241 1.00 1.85 H new ATOM 0 HE1 PHE A 26 19.801 18.134 12.405 1.00 2.71 H new ATOM 0 HE2 PHE A 26 16.061 16.760 13.889 1.00 2.07 H new ATOM 0 HZ PHE A 26 18.291 16.282 12.971 1.00 0.57 H new ATOM 414 N ILE A 27 13.830 21.429 13.098 1.00 0.81 N ATOM 415 CA ILE A 27 12.471 20.821 12.964 1.00 0.82 C ATOM 416 C ILE A 27 11.977 21.390 11.628 1.00 0.69 C ATOM 417 O ILE A 27 12.096 20.733 10.628 1.00 0.57 O ATOM 418 CB ILE A 27 11.676 21.300 14.204 1.00 1.04 C ATOM 419 CG1 ILE A 27 12.206 20.597 15.500 1.00 1.57 C ATOM 420 CG2 ILE A 27 10.161 21.099 14.052 1.00 1.19 C ATOM 421 CD1 ILE A 27 12.090 19.041 15.412 1.00 0.86 C ATOM 0 H ILE A 27 13.963 21.961 13.958 1.00 0.81 H new ATOM 0 HA ILE A 27 12.397 19.734 12.945 1.00 0.82 H new ATOM 0 HB ILE A 27 11.839 22.374 14.291 1.00 1.04 H new ATOM 0 HG12 ILE A 27 13.248 20.874 15.662 1.00 1.57 H new ATOM 0 HG13 ILE A 27 11.643 20.954 16.362 1.00 1.57 H new ATOM 0 HG21 ILE A 27 9.655 21.452 14.951 1.00 1.19 H new ATOM 0 HG22 ILE A 27 9.804 21.662 13.190 1.00 1.19 H new ATOM 0 HG23 ILE A 27 9.947 20.040 13.908 1.00 1.19 H new ATOM 0 HD11 ILE A 27 12.469 18.595 16.332 1.00 0.86 H new ATOM 0 HD12 ILE A 27 11.045 18.761 15.277 1.00 0.86 H new ATOM 0 HD13 ILE A 27 12.675 18.680 14.566 1.00 0.86 H new ATOM 433 N TYR A 28 11.417 22.560 11.628 1.00 0.71 N ATOM 434 CA TYR A 28 10.930 23.203 10.357 1.00 0.61 C ATOM 435 C TYR A 28 11.579 22.644 9.055 1.00 0.41 C ATOM 436 O TYR A 28 10.908 22.106 8.198 1.00 0.41 O ATOM 437 CB TYR A 28 11.196 24.713 10.440 1.00 0.70 C ATOM 438 CG TYR A 28 10.508 25.397 9.254 1.00 0.77 C ATOM 439 CD1 TYR A 28 11.096 25.447 8.000 1.00 0.68 C ATOM 440 CD2 TYR A 28 9.263 25.960 9.435 1.00 0.96 C ATOM 441 CE1 TYR A 28 10.437 26.047 6.953 1.00 0.79 C ATOM 442 CE2 TYR A 28 8.613 26.559 8.383 1.00 1.08 C ATOM 443 CZ TYR A 28 9.198 26.600 7.148 1.00 1.02 C ATOM 444 OH TYR A 28 8.506 27.182 6.116 1.00 1.16 O ATOM 0 H TYR A 28 11.267 23.120 12.467 1.00 0.71 H new ATOM 0 HA TYR A 28 9.867 22.973 10.284 1.00 0.61 H new ATOM 0 HB2 TYR A 28 10.816 25.113 11.380 1.00 0.70 H new ATOM 0 HB3 TYR A 28 12.268 24.910 10.420 1.00 0.70 H new ATOM 0 HD1 TYR A 28 12.073 25.014 7.845 1.00 0.68 H new ATOM 0 HD2 TYR A 28 8.796 25.930 10.408 1.00 0.96 H new ATOM 0 HE1 TYR A 28 10.896 26.083 5.976 1.00 0.79 H new ATOM 0 HE2 TYR A 28 7.638 26.998 8.532 1.00 1.08 H new ATOM 0 HH TYR A 28 8.910 26.920 5.262 1.00 1.16 H new ATOM 454 N SER A 29 12.878 22.752 8.932 1.00 0.31 N ATOM 455 CA SER A 29 13.624 22.264 7.721 1.00 0.15 C ATOM 456 C SER A 29 13.383 20.766 7.485 1.00 0.12 C ATOM 457 O SER A 29 12.932 20.349 6.433 1.00 0.11 O ATOM 458 CB SER A 29 15.101 22.600 7.990 1.00 0.30 C ATOM 459 OG SER A 29 15.417 21.849 9.152 1.00 0.40 O ATOM 0 H SER A 29 13.476 23.172 9.644 1.00 0.31 H new ATOM 0 HA SER A 29 13.283 22.744 6.804 1.00 0.15 H new ATOM 0 HB2 SER A 29 15.734 22.319 7.148 1.00 0.30 H new ATOM 0 HB3 SER A 29 15.244 23.668 8.154 1.00 0.30 H new ATOM 0 HG SER A 29 15.317 22.416 9.945 1.00 0.40 H new ATOM 465 N HIS A 30 13.694 19.995 8.486 1.00 0.22 N ATOM 466 CA HIS A 30 13.506 18.522 8.415 1.00 0.20 C ATOM 467 C HIS A 30 11.994 18.219 8.232 1.00 0.25 C ATOM 468 O HIS A 30 11.648 17.272 7.565 1.00 0.32 O ATOM 469 CB HIS A 30 14.052 17.900 9.728 1.00 0.22 C ATOM 470 CG HIS A 30 15.582 17.865 9.741 1.00 0.34 C ATOM 471 ND1 HIS A 30 16.289 16.785 9.725 1.00 2.48 N ATOM 472 CD2 HIS A 30 16.517 18.877 9.770 1.00 1.71 C ATOM 473 CE1 HIS A 30 17.552 17.083 9.742 1.00 2.00 C ATOM 474 NE2 HIS A 30 17.736 18.378 9.770 1.00 0.63 N ATOM 0 H HIS A 30 14.079 20.331 9.369 1.00 0.22 H new ATOM 0 HA HIS A 30 14.045 18.092 7.571 1.00 0.20 H new ATOM 0 HB2 HIS A 30 13.693 18.476 10.581 1.00 0.22 H new ATOM 0 HB3 HIS A 30 13.663 16.888 9.841 1.00 0.22 H new ATOM 0 HD2 HIS A 30 16.283 19.931 9.790 1.00 1.71 H new ATOM 0 HE1 HIS A 30 18.350 16.355 9.734 1.00 2.00 H new ATOM 0 HE2 HIS A 30 18.621 18.885 9.788 1.00 0.63 H new ATOM 482 N TYR A 31 11.117 19.003 8.800 1.00 0.32 N ATOM 483 CA TYR A 31 9.647 18.739 8.639 1.00 0.36 C ATOM 484 C TYR A 31 9.350 18.893 7.150 1.00 0.26 C ATOM 485 O TYR A 31 8.735 18.057 6.506 1.00 0.26 O ATOM 486 CB TYR A 31 8.761 19.776 9.399 1.00 0.39 C ATOM 487 CG TYR A 31 7.273 19.360 9.256 1.00 0.35 C ATOM 488 CD1 TYR A 31 6.732 18.272 9.935 1.00 0.29 C ATOM 489 CD2 TYR A 31 6.452 20.073 8.406 1.00 0.37 C ATOM 490 CE1 TYR A 31 5.400 17.917 9.752 1.00 0.27 C ATOM 491 CE2 TYR A 31 5.131 19.714 8.233 1.00 0.33 C ATOM 492 CZ TYR A 31 4.598 18.639 8.899 1.00 0.27 C ATOM 493 OH TYR A 31 3.272 18.312 8.687 1.00 0.23 O ATOM 0 H TYR A 31 11.350 19.816 9.370 1.00 0.32 H new ATOM 0 HA TYR A 31 9.420 17.751 9.040 1.00 0.36 H new ATOM 0 HB2 TYR A 31 9.043 19.814 10.451 1.00 0.39 H new ATOM 0 HB3 TYR A 31 8.915 20.775 8.991 1.00 0.39 H new ATOM 0 HD1 TYR A 31 7.351 17.699 10.609 1.00 0.29 H new ATOM 0 HD2 TYR A 31 6.848 20.922 7.870 1.00 0.37 H new ATOM 0 HE1 TYR A 31 4.993 17.069 10.283 1.00 0.27 H new ATOM 0 HE2 TYR A 31 4.507 20.288 7.563 1.00 0.33 H new ATOM 0 HH TYR A 31 2.877 18.944 8.051 1.00 0.23 H new ATOM 503 N LYS A 32 9.831 19.994 6.634 1.00 0.22 N ATOM 504 CA LYS A 32 9.609 20.269 5.200 1.00 0.20 C ATOM 505 C LYS A 32 10.247 19.129 4.375 1.00 0.16 C ATOM 506 O LYS A 32 9.538 18.577 3.557 1.00 0.18 O ATOM 507 CB LYS A 32 10.189 21.657 4.965 1.00 0.26 C ATOM 508 CG LYS A 32 9.364 22.756 5.700 1.00 0.44 C ATOM 509 CD LYS A 32 7.920 22.743 5.088 1.00 0.53 C ATOM 510 CE LYS A 32 7.388 24.139 4.806 1.00 0.74 C ATOM 511 NZ LYS A 32 6.976 24.834 6.066 1.00 2.75 N ATOM 0 H LYS A 32 10.361 20.702 7.143 1.00 0.22 H new ATOM 0 HA LYS A 32 8.565 20.283 4.887 1.00 0.20 H new ATOM 0 HB2 LYS A 32 11.222 21.684 5.312 1.00 0.26 H new ATOM 0 HB3 LYS A 32 10.206 21.868 3.896 1.00 0.26 H new ATOM 0 HG2 LYS A 32 9.329 22.558 6.771 1.00 0.44 H new ATOM 0 HG3 LYS A 32 9.827 23.734 5.572 1.00 0.44 H new ATOM 0 HD2 LYS A 32 7.928 22.168 4.162 1.00 0.53 H new ATOM 0 HD3 LYS A 32 7.244 22.233 5.774 1.00 0.53 H new ATOM 0 HE2 LYS A 32 8.154 24.726 4.299 1.00 0.74 H new ATOM 0 HE3 LYS A 32 6.536 24.075 4.129 1.00 0.74 H new ATOM 0 HZ1 LYS A 32 5.988 25.149 5.982 1.00 2.75 H new ATOM 0 HZ2 LYS A 32 7.063 24.178 6.869 1.00 2.75 H new ATOM 0 HZ3 LYS A 32 7.590 25.658 6.224 1.00 2.75 H new ATOM 525 N GLN A 33 11.501 18.766 4.554 1.00 0.23 N ATOM 526 CA GLN A 33 12.016 17.617 3.692 1.00 0.30 C ATOM 527 C GLN A 33 11.242 16.304 3.975 1.00 0.38 C ATOM 528 O GLN A 33 10.995 15.547 3.062 1.00 0.44 O ATOM 529 CB GLN A 33 13.529 17.303 3.933 1.00 0.39 C ATOM 530 CG GLN A 33 14.434 18.347 3.250 1.00 1.02 C ATOM 531 CD GLN A 33 14.366 18.417 1.723 1.00 1.91 C ATOM 532 OE1 GLN A 33 14.359 19.488 1.157 1.00 4.18 O ATOM 533 NE2 GLN A 33 14.329 17.334 1.022 1.00 1.04 N ATOM 0 H GLN A 33 12.163 19.177 5.212 1.00 0.23 H new ATOM 0 HA GLN A 33 11.867 17.953 2.666 1.00 0.30 H new ATOM 0 HB2 GLN A 33 13.733 17.287 5.004 1.00 0.39 H new ATOM 0 HB3 GLN A 33 13.762 16.310 3.549 1.00 0.39 H new ATOM 0 HG2 GLN A 33 14.181 19.330 3.648 1.00 1.02 H new ATOM 0 HG3 GLN A 33 15.466 18.143 3.536 1.00 1.02 H new ATOM 0 HE21 GLN A 33 14.334 16.426 1.486 1.00 1.04 H new ATOM 0 HE22 GLN A 33 14.294 17.386 0.004 1.00 1.04 H new ATOM 542 N ALA A 34 10.887 16.055 5.213 1.00 0.38 N ATOM 543 CA ALA A 34 10.128 14.820 5.618 1.00 0.46 C ATOM 544 C ALA A 34 8.707 14.753 5.017 1.00 0.55 C ATOM 545 O ALA A 34 8.167 13.671 4.849 1.00 1.01 O ATOM 546 CB ALA A 34 10.061 14.803 7.142 1.00 0.43 C ATOM 0 H ALA A 34 11.099 16.680 5.991 1.00 0.38 H new ATOM 0 HA ALA A 34 10.652 13.947 5.230 1.00 0.46 H new ATOM 0 HB1 ALA A 34 9.516 13.919 7.472 1.00 0.43 H new ATOM 0 HB2 ALA A 34 11.071 14.780 7.550 1.00 0.43 H new ATOM 0 HB3 ALA A 34 9.548 15.698 7.494 1.00 0.43 H new ATOM 552 N THR A 35 8.148 15.906 4.733 1.00 0.20 N ATOM 553 CA THR A 35 6.750 15.969 4.135 1.00 0.27 C ATOM 554 C THR A 35 6.619 16.449 2.702 1.00 0.11 C ATOM 555 O THR A 35 6.005 15.781 1.893 1.00 0.52 O ATOM 556 CB THR A 35 5.849 16.883 4.946 1.00 0.59 C ATOM 557 OG1 THR A 35 6.544 18.109 4.885 1.00 0.69 O ATOM 558 CG2 THR A 35 5.880 16.558 6.408 1.00 0.83 C ATOM 0 H THR A 35 8.590 16.813 4.885 1.00 0.20 H new ATOM 0 HA THR A 35 6.464 14.917 4.156 1.00 0.27 H new ATOM 0 HB THR A 35 4.824 16.837 4.577 1.00 0.59 H new ATOM 0 HG1 THR A 35 7.269 18.107 5.544 1.00 0.69 H new ATOM 0 HG21 THR A 35 5.220 17.239 6.946 1.00 0.83 H new ATOM 0 HG22 THR A 35 5.545 15.532 6.560 1.00 0.83 H new ATOM 0 HG23 THR A 35 6.898 16.667 6.783 1.00 0.83 H new ATOM 566 N VAL A 36 7.192 17.580 2.443 1.00 0.12 N ATOM 567 CA VAL A 36 7.146 18.191 1.068 1.00 0.21 C ATOM 568 C VAL A 36 8.364 17.722 0.253 1.00 0.30 C ATOM 569 O VAL A 36 8.283 17.495 -0.940 1.00 0.45 O ATOM 570 CB VAL A 36 7.150 19.758 1.201 1.00 0.39 C ATOM 571 CG1 VAL A 36 6.836 20.409 -0.178 1.00 0.74 C ATOM 572 CG2 VAL A 36 6.073 20.234 2.216 1.00 0.16 C ATOM 0 H VAL A 36 7.705 18.130 3.132 1.00 0.12 H new ATOM 0 HA VAL A 36 6.238 17.877 0.553 1.00 0.21 H new ATOM 0 HB VAL A 36 8.138 20.058 1.551 1.00 0.39 H new ATOM 0 HG11 VAL A 36 6.841 21.494 -0.077 1.00 0.74 H new ATOM 0 HG12 VAL A 36 7.593 20.109 -0.903 1.00 0.74 H new ATOM 0 HG13 VAL A 36 5.855 20.081 -0.520 1.00 0.74 H new ATOM 0 HG21 VAL A 36 6.097 21.321 2.289 1.00 0.16 H new ATOM 0 HG22 VAL A 36 5.087 19.915 1.877 1.00 0.16 H new ATOM 0 HG23 VAL A 36 6.278 19.800 3.195 1.00 0.16 H new ATOM 582 N GLY A 37 9.467 17.603 0.939 1.00 0.27 N ATOM 583 CA GLY A 37 10.755 17.157 0.319 1.00 0.43 C ATOM 584 C GLY A 37 11.618 18.391 0.077 1.00 0.30 C ATOM 585 O GLY A 37 11.748 19.273 0.907 1.00 0.28 O ATOM 0 H GLY A 37 9.534 17.802 1.937 1.00 0.27 H new ATOM 0 HA2 GLY A 37 11.270 16.455 0.975 1.00 0.43 H new ATOM 0 HA3 GLY A 37 10.565 16.636 -0.619 1.00 0.43 H new ATOM 589 N ASP A 38 12.186 18.367 -1.092 1.00 0.34 N ATOM 590 CA ASP A 38 13.067 19.435 -1.602 1.00 0.48 C ATOM 591 C ASP A 38 12.371 20.776 -1.663 1.00 0.51 C ATOM 592 O ASP A 38 11.460 20.895 -2.457 1.00 0.67 O ATOM 593 CB ASP A 38 13.518 18.940 -2.966 1.00 0.58 C ATOM 594 CG ASP A 38 14.730 18.067 -2.808 1.00 0.70 C ATOM 595 OD1 ASP A 38 14.742 17.299 -1.859 1.00 1.28 O ATOM 596 OD2 ASP A 38 15.585 18.237 -3.653 1.00 1.09 O ATOM 0 H ASP A 38 12.062 17.598 -1.750 1.00 0.34 H new ATOM 0 HA ASP A 38 13.915 19.616 -0.942 1.00 0.48 H new ATOM 0 HB2 ASP A 38 12.714 18.381 -3.445 1.00 0.58 H new ATOM 0 HB3 ASP A 38 13.748 19.786 -3.614 1.00 0.58 H new ATOM 601 N ILE A 39 12.785 21.714 -0.838 1.00 0.40 N ATOM 602 CA ILE A 39 12.158 23.084 -0.836 1.00 0.44 C ATOM 603 C ILE A 39 11.519 23.380 -2.195 1.00 0.48 C ATOM 604 O ILE A 39 12.120 23.428 -3.251 1.00 0.40 O ATOM 605 CB ILE A 39 13.251 24.092 -0.421 1.00 0.49 C ATOM 606 CG1 ILE A 39 12.478 25.321 0.117 1.00 0.65 C ATOM 607 CG2 ILE A 39 14.170 24.514 -1.568 1.00 0.62 C ATOM 608 CD1 ILE A 39 13.352 25.954 1.222 1.00 0.84 C ATOM 0 H ILE A 39 13.537 21.590 -0.160 1.00 0.40 H new ATOM 0 HA ILE A 39 11.341 23.157 -0.119 1.00 0.44 H new ATOM 0 HB ILE A 39 13.914 23.636 0.314 1.00 0.49 H new ATOM 0 HG12 ILE A 39 12.288 26.037 -0.682 1.00 0.65 H new ATOM 0 HG13 ILE A 39 11.508 25.023 0.515 1.00 0.65 H new ATOM 0 HG21 ILE A 39 14.911 25.223 -1.198 1.00 0.62 H new ATOM 0 HG22 ILE A 39 14.676 23.636 -1.970 1.00 0.62 H new ATOM 0 HG23 ILE A 39 13.579 24.984 -2.354 1.00 0.62 H new ATOM 0 HD11 ILE A 39 12.845 26.827 1.632 1.00 0.84 H new ATOM 0 HD12 ILE A 39 13.519 25.226 2.016 1.00 0.84 H new ATOM 0 HD13 ILE A 39 14.310 26.256 0.800 1.00 0.84 H new ATOM 805 N LYS A 52 12.662 33.454 6.378 1.00 1.57 N ATOM 806 CA LYS A 52 14.007 33.298 5.714 1.00 1.46 C ATOM 807 C LYS A 52 14.887 32.218 6.375 1.00 1.03 C ATOM 808 O LYS A 52 15.313 31.306 5.697 1.00 1.14 O ATOM 809 CB LYS A 52 14.649 34.671 5.763 1.00 1.89 C ATOM 810 CG LYS A 52 16.084 34.666 5.184 1.00 2.03 C ATOM 811 CD LYS A 52 16.736 35.940 5.761 1.00 2.19 C ATOM 812 CE LYS A 52 18.227 36.033 5.436 1.00 1.93 C ATOM 813 NZ LYS A 52 18.753 37.061 6.384 1.00 4.03 N ATOM 0 HA LYS A 52 13.891 32.947 4.689 1.00 1.46 H new ATOM 0 HB2 LYS A 52 14.036 35.377 5.203 1.00 1.89 H new ATOM 0 HB3 LYS A 52 14.677 35.021 6.795 1.00 1.89 H new ATOM 0 HG2 LYS A 52 16.630 33.771 5.482 1.00 2.03 H new ATOM 0 HG3 LYS A 52 16.073 34.684 4.094 1.00 2.03 H new ATOM 0 HD2 LYS A 52 16.225 36.817 5.364 1.00 2.19 H new ATOM 0 HD3 LYS A 52 16.601 35.955 6.843 1.00 2.19 H new ATOM 0 HE2 LYS A 52 18.724 35.073 5.575 1.00 1.93 H new ATOM 0 HE3 LYS A 52 18.390 36.329 4.400 1.00 1.93 H new ATOM 0 HZ1 LYS A 52 19.774 37.187 6.228 1.00 4.03 H new ATOM 0 HZ2 LYS A 52 18.264 37.965 6.223 1.00 4.03 H new ATOM 0 HZ3 LYS A 52 18.588 36.748 7.362 1.00 4.03 H new ATOM 827 N ALA A 53 15.111 32.348 7.666 1.00 0.62 N ATOM 828 CA ALA A 53 15.966 31.323 8.360 1.00 0.37 C ATOM 829 C ALA A 53 15.343 29.947 8.047 1.00 0.17 C ATOM 830 O ALA A 53 15.950 29.096 7.453 1.00 0.30 O ATOM 831 CB ALA A 53 15.952 31.638 9.868 1.00 0.25 C ATOM 0 H ALA A 53 14.750 33.098 8.256 1.00 0.62 H new ATOM 0 HA ALA A 53 17.004 31.330 8.027 1.00 0.37 H new ATOM 0 HB1 ALA A 53 16.565 30.909 10.398 1.00 0.25 H new ATOM 0 HB2 ALA A 53 16.352 32.638 10.035 1.00 0.25 H new ATOM 0 HB3 ALA A 53 14.929 31.590 10.240 1.00 0.25 H new ATOM 837 N LYS A 54 14.122 29.773 8.458 1.00 0.44 N ATOM 838 CA LYS A 54 13.375 28.493 8.221 1.00 0.73 C ATOM 839 C LYS A 54 13.507 27.995 6.740 1.00 0.64 C ATOM 840 O LYS A 54 13.750 26.827 6.466 1.00 0.59 O ATOM 841 CB LYS A 54 11.897 28.779 8.602 1.00 1.25 C ATOM 842 CG LYS A 54 11.747 29.325 10.050 1.00 2.94 C ATOM 843 CD LYS A 54 11.633 28.141 11.069 1.00 5.42 C ATOM 844 CE LYS A 54 11.894 28.589 12.530 1.00 7.72 C ATOM 845 NZ LYS A 54 11.125 29.843 12.801 1.00 9.03 N ATOM 0 H LYS A 54 13.589 30.480 8.964 1.00 0.44 H new ATOM 0 HA LYS A 54 13.789 27.687 8.827 1.00 0.73 H new ATOM 0 HB2 LYS A 54 11.478 29.500 7.901 1.00 1.25 H new ATOM 0 HB3 LYS A 54 11.316 27.862 8.501 1.00 1.25 H new ATOM 0 HG2 LYS A 54 12.605 29.949 10.301 1.00 2.94 H new ATOM 0 HG3 LYS A 54 10.862 29.958 10.117 1.00 2.94 H new ATOM 0 HD2 LYS A 54 10.638 27.700 11.000 1.00 5.42 H new ATOM 0 HD3 LYS A 54 12.346 27.363 10.798 1.00 5.42 H new ATOM 0 HE2 LYS A 54 11.591 27.805 13.224 1.00 7.72 H new ATOM 0 HE3 LYS A 54 12.959 28.760 12.687 1.00 7.72 H new ATOM 0 HZ1 LYS A 54 11.071 30.002 13.827 1.00 9.03 H new ATOM 0 HZ2 LYS A 54 11.605 30.648 12.351 1.00 9.03 H new ATOM 0 HZ3 LYS A 54 10.164 29.752 12.414 1.00 9.03 H new ATOM 859 N TRP A 55 13.363 28.916 5.819 1.00 0.72 N ATOM 860 CA TRP A 55 13.452 28.582 4.362 1.00 0.83 C ATOM 861 C TRP A 55 14.834 28.076 4.059 1.00 0.67 C ATOM 862 O TRP A 55 15.031 26.950 3.665 1.00 0.59 O ATOM 863 CB TRP A 55 13.184 29.829 3.455 1.00 1.03 C ATOM 864 CG TRP A 55 13.019 29.346 1.975 1.00 1.08 C ATOM 865 CD1 TRP A 55 11.836 28.992 1.362 1.00 1.18 C ATOM 866 CD2 TRP A 55 14.030 29.159 1.078 1.00 1.06 C ATOM 867 NE1 TRP A 55 12.212 28.614 0.153 1.00 1.21 N ATOM 868 CE2 TRP A 55 13.501 28.678 -0.120 1.00 1.14 C ATOM 869 CE3 TRP A 55 15.414 29.360 1.169 1.00 1.02 C ATOM 870 CZ2 TRP A 55 14.322 28.398 -1.206 1.00 1.13 C ATOM 871 CZ3 TRP A 55 16.248 29.082 0.086 1.00 1.07 C ATOM 872 CH2 TRP A 55 15.702 28.600 -1.105 1.00 1.13 C ATOM 0 H TRP A 55 13.185 29.900 6.018 1.00 0.72 H new ATOM 0 HA TRP A 55 12.693 27.829 4.151 1.00 0.83 H new ATOM 0 HB2 TRP A 55 12.285 30.350 3.785 1.00 1.03 H new ATOM 0 HB3 TRP A 55 14.009 30.537 3.532 1.00 1.03 H new ATOM 0 HD1 TRP A 55 10.838 29.018 1.773 1.00 1.18 H new ATOM 0 HE1 TRP A 55 11.536 28.288 -0.538 1.00 1.21 H new ATOM 0 HE3 TRP A 55 15.840 29.734 2.088 1.00 1.02 H new ATOM 0 HZ2 TRP A 55 13.895 28.025 -2.125 1.00 1.13 H new ATOM 0 HZ3 TRP A 55 17.313 29.239 0.169 1.00 1.07 H new ATOM 0 HH2 TRP A 55 16.344 28.384 -1.946 1.00 1.13 H new ATOM 883 N ASP A 56 15.766 28.945 4.274 1.00 0.66 N ATOM 884 CA ASP A 56 17.195 28.603 4.021 1.00 0.69 C ATOM 885 C ASP A 56 17.548 27.295 4.754 1.00 0.50 C ATOM 886 O ASP A 56 18.123 26.399 4.176 1.00 0.54 O ATOM 887 CB ASP A 56 17.988 29.879 4.458 1.00 0.87 C ATOM 888 CG ASP A 56 17.986 30.817 3.259 1.00 1.13 C ATOM 889 OD1 ASP A 56 18.514 30.368 2.254 1.00 1.81 O ATOM 890 OD2 ASP A 56 17.488 31.928 3.330 1.00 2.59 O ATOM 0 H ASP A 56 15.605 29.892 4.618 1.00 0.66 H new ATOM 0 HA ASP A 56 17.445 28.383 2.983 1.00 0.69 H new ATOM 0 HB2 ASP A 56 17.519 30.351 5.321 1.00 0.87 H new ATOM 0 HB3 ASP A 56 19.007 29.623 4.749 1.00 0.87 H new ATOM 895 N ALA A 57 17.182 27.214 5.999 1.00 0.32 N ATOM 896 CA ALA A 57 17.419 26.026 6.864 1.00 0.25 C ATOM 897 C ALA A 57 16.809 24.792 6.155 1.00 0.19 C ATOM 898 O ALA A 57 17.325 23.700 6.260 1.00 0.21 O ATOM 899 CB ALA A 57 16.753 26.300 8.210 1.00 0.21 C ATOM 0 H ALA A 57 16.698 27.972 6.481 1.00 0.32 H new ATOM 0 HA ALA A 57 18.478 25.833 7.032 1.00 0.25 H new ATOM 0 HB1 ALA A 57 16.907 25.448 8.872 1.00 0.21 H new ATOM 0 HB2 ALA A 57 17.192 27.191 8.658 1.00 0.21 H new ATOM 0 HB3 ALA A 57 15.685 26.457 8.062 1.00 0.21 H new ATOM 905 N TRP A 58 15.718 24.982 5.448 1.00 0.13 N ATOM 906 CA TRP A 58 15.122 23.808 4.742 1.00 0.12 C ATOM 907 C TRP A 58 15.923 23.643 3.432 1.00 0.25 C ATOM 908 O TRP A 58 16.338 22.546 3.137 1.00 0.30 O ATOM 909 CB TRP A 58 13.707 24.100 4.461 1.00 0.20 C ATOM 910 CG TRP A 58 13.117 22.971 3.591 1.00 0.18 C ATOM 911 CD1 TRP A 58 13.639 21.736 3.265 1.00 0.11 C ATOM 912 CD2 TRP A 58 11.942 23.101 2.988 1.00 0.25 C ATOM 913 NE1 TRP A 58 12.702 21.239 2.473 1.00 0.12 N ATOM 914 CE2 TRP A 58 11.638 21.979 2.243 1.00 0.21 C ATOM 915 CE3 TRP A 58 11.077 24.171 3.066 1.00 0.36 C ATOM 916 CZ2 TRP A 58 10.435 21.921 1.543 1.00 0.26 C ATOM 917 CZ3 TRP A 58 9.887 24.113 2.380 1.00 0.42 C ATOM 918 CH2 TRP A 58 9.557 23.001 1.616 1.00 0.36 C ATOM 0 H TRP A 58 15.230 25.870 5.333 1.00 0.13 H new ATOM 0 HA TRP A 58 15.168 22.893 5.333 1.00 0.12 H new ATOM 0 HB2 TRP A 58 13.149 24.186 5.394 1.00 0.20 H new ATOM 0 HB3 TRP A 58 13.616 25.057 3.946 1.00 0.20 H new ATOM 0 HD1 TRP A 58 14.572 21.290 3.576 1.00 0.11 H new ATOM 0 HE1 TRP A 58 12.801 20.314 2.055 1.00 0.12 H new ATOM 0 HE3 TRP A 58 11.330 25.040 3.656 1.00 0.36 H new ATOM 0 HZ2 TRP A 58 10.186 21.052 0.952 1.00 0.26 H new ATOM 0 HZ3 TRP A 58 9.199 24.944 2.436 1.00 0.42 H new ATOM 0 HH2 TRP A 58 8.621 22.973 1.079 1.00 0.36 H new ATOM 929 N ASN A 59 16.126 24.687 2.672 1.00 0.34 N ATOM 930 CA ASN A 59 16.901 24.648 1.388 1.00 0.49 C ATOM 931 C ASN A 59 18.192 23.846 1.651 1.00 0.52 C ATOM 932 O ASN A 59 18.559 23.009 0.859 1.00 0.54 O ATOM 933 CB ASN A 59 17.170 26.118 0.997 1.00 0.61 C ATOM 934 CG ASN A 59 18.452 26.294 0.189 1.00 0.82 C ATOM 935 OD1 ASN A 59 18.692 25.657 -0.812 1.00 0.68 O ATOM 936 ND2 ASN A 59 19.333 27.155 0.577 1.00 1.25 N ATOM 0 H ASN A 59 15.768 25.614 2.900 1.00 0.34 H new ATOM 0 HA ASN A 59 16.375 24.162 0.566 1.00 0.49 H new ATOM 0 HB2 ASN A 59 16.327 26.494 0.417 1.00 0.61 H new ATOM 0 HB3 ASN A 59 17.231 26.724 1.901 1.00 0.61 H new ATOM 0 HD21 ASN A 59 20.194 27.279 0.045 1.00 1.25 H new ATOM 0 HD22 ASN A 59 19.168 27.711 1.416 1.00 1.25 H new ATOM 943 N GLU A 60 18.817 24.146 2.752 1.00 0.52 N ATOM 944 CA GLU A 60 20.072 23.493 3.222 1.00 0.57 C ATOM 945 C GLU A 60 19.983 21.931 3.143 1.00 0.45 C ATOM 946 O GLU A 60 20.977 21.236 3.094 1.00 0.35 O ATOM 947 CB GLU A 60 20.278 24.025 4.655 1.00 0.64 C ATOM 948 CG GLU A 60 21.522 23.398 5.317 1.00 0.72 C ATOM 949 CD GLU A 60 21.827 24.087 6.644 1.00 0.92 C ATOM 950 OE1 GLU A 60 21.076 23.859 7.576 1.00 1.82 O ATOM 951 OE2 GLU A 60 22.808 24.810 6.638 1.00 2.83 O ATOM 0 H GLU A 60 18.483 24.869 3.389 1.00 0.52 H new ATOM 0 HA GLU A 60 20.928 23.733 2.592 1.00 0.57 H new ATOM 0 HB2 GLU A 60 20.386 25.109 4.630 1.00 0.64 H new ATOM 0 HB3 GLU A 60 19.395 23.806 5.256 1.00 0.64 H new ATOM 0 HG2 GLU A 60 21.355 22.334 5.483 1.00 0.72 H new ATOM 0 HG3 GLU A 60 22.379 23.486 4.650 1.00 0.72 H new ATOM 958 N LEU A 61 18.759 21.458 3.135 1.00 0.50 N ATOM 959 CA LEU A 61 18.401 19.996 3.065 1.00 0.41 C ATOM 960 C LEU A 61 17.846 19.533 1.703 1.00 0.36 C ATOM 961 O LEU A 61 17.697 18.343 1.473 1.00 0.27 O ATOM 962 CB LEU A 61 17.356 19.675 4.146 1.00 0.32 C ATOM 963 CG LEU A 61 17.753 20.242 5.504 1.00 0.42 C ATOM 964 CD1 LEU A 61 16.655 19.860 6.486 1.00 0.38 C ATOM 965 CD2 LEU A 61 19.077 19.589 5.955 1.00 0.65 C ATOM 0 H LEU A 61 17.940 22.065 3.177 1.00 0.50 H new ATOM 0 HA LEU A 61 19.336 19.458 3.221 1.00 0.41 H new ATOM 0 HB2 LEU A 61 16.390 20.084 3.850 1.00 0.32 H new ATOM 0 HB3 LEU A 61 17.235 18.595 4.225 1.00 0.32 H new ATOM 0 HG LEU A 61 17.881 21.323 5.456 1.00 0.42 H new ATOM 0 HD11 LEU A 61 16.900 20.248 7.475 1.00 0.38 H new ATOM 0 HD12 LEU A 61 15.707 20.284 6.155 1.00 0.38 H new ATOM 0 HD13 LEU A 61 16.570 18.774 6.533 1.00 0.38 H new ATOM 0 HD21 LEU A 61 19.368 19.990 6.926 1.00 0.65 H new ATOM 0 HD22 LEU A 61 18.943 18.510 6.033 1.00 0.65 H new ATOM 0 HD23 LEU A 61 19.857 19.806 5.225 1.00 0.65 H new ATOM 977 N LYS A 62 17.555 20.468 0.834 1.00 0.46 N ATOM 978 CA LYS A 62 17.013 20.153 -0.529 1.00 0.50 C ATOM 979 C LYS A 62 18.008 19.110 -1.068 1.00 0.72 C ATOM 980 O LYS A 62 19.199 19.258 -0.872 1.00 2.97 O ATOM 981 CB LYS A 62 16.980 21.530 -1.264 1.00 0.78 C ATOM 982 CG LYS A 62 16.599 21.397 -2.765 1.00 0.59 C ATOM 983 CD LYS A 62 17.843 20.970 -3.603 1.00 0.61 C ATOM 984 CE LYS A 62 18.832 22.144 -3.708 1.00 1.77 C ATOM 985 NZ LYS A 62 20.170 21.606 -4.139 1.00 0.69 N ATOM 0 H LYS A 62 17.673 21.465 1.016 1.00 0.46 H new ATOM 0 HA LYS A 62 16.011 19.732 -0.618 1.00 0.50 H new ATOM 0 HB2 LYS A 62 16.264 22.185 -0.768 1.00 0.78 H new ATOM 0 HB3 LYS A 62 17.958 22.005 -1.182 1.00 0.78 H new ATOM 0 HG2 LYS A 62 15.803 20.661 -2.882 1.00 0.59 H new ATOM 0 HG3 LYS A 62 16.212 22.346 -3.134 1.00 0.59 H new ATOM 0 HD2 LYS A 62 18.330 20.114 -3.137 1.00 0.61 H new ATOM 0 HD3 LYS A 62 17.531 20.656 -4.599 1.00 0.61 H new ATOM 0 HE2 LYS A 62 18.471 22.880 -4.426 1.00 1.77 H new ATOM 0 HE3 LYS A 62 18.920 22.652 -2.748 1.00 1.77 H new ATOM 0 HZ1 LYS A 62 20.851 22.389 -4.215 1.00 0.69 H new ATOM 0 HZ2 LYS A 62 20.510 20.918 -3.437 1.00 0.69 H new ATOM 0 HZ3 LYS A 62 20.075 21.139 -5.063 1.00 0.69 H new ATOM 999 N GLY A 63 17.536 18.104 -1.742 1.00 1.25 N ATOM 1000 CA GLY A 63 18.434 17.023 -2.280 1.00 0.58 C ATOM 1001 C GLY A 63 18.179 15.776 -1.411 1.00 0.59 C ATOM 1002 O GLY A 63 18.418 14.659 -1.823 1.00 0.60 O ATOM 0 H GLY A 63 16.547 17.973 -1.952 1.00 1.25 H new ATOM 0 HA2 GLY A 63 18.212 16.819 -3.327 1.00 0.58 H new ATOM 0 HA3 GLY A 63 19.480 17.325 -2.229 1.00 0.58 H new ATOM 1006 N THR A 64 17.706 16.039 -0.213 1.00 0.63 N ATOM 1007 CA THR A 64 17.388 14.948 0.773 1.00 0.71 C ATOM 1008 C THR A 64 16.029 14.303 0.492 1.00 0.95 C ATOM 1009 O THR A 64 15.229 14.799 -0.276 1.00 1.09 O ATOM 1010 CB THR A 64 17.384 15.557 2.178 1.00 0.51 C ATOM 1011 OG1 THR A 64 18.736 15.911 2.372 1.00 0.82 O ATOM 1012 CG2 THR A 64 17.183 14.581 3.315 1.00 0.49 C ATOM 0 H THR A 64 17.523 16.982 0.131 1.00 0.63 H new ATOM 0 HA THR A 64 18.144 14.168 0.686 1.00 0.71 H new ATOM 0 HB THR A 64 16.597 16.310 2.205 1.00 0.51 H new ATOM 0 HG1 THR A 64 18.868 16.849 2.121 1.00 0.82 H new ATOM 0 HG21 THR A 64 17.197 15.119 4.263 1.00 0.49 H new ATOM 0 HG22 THR A 64 16.223 14.078 3.198 1.00 0.49 H new ATOM 0 HG23 THR A 64 17.984 13.841 3.305 1.00 0.49 H new ATOM 1020 N SER A 65 15.815 13.201 1.143 1.00 1.17 N ATOM 1021 CA SER A 65 14.531 12.459 0.976 1.00 1.65 C ATOM 1022 C SER A 65 13.589 12.946 2.093 1.00 1.71 C ATOM 1023 O SER A 65 13.787 14.011 2.657 1.00 2.79 O ATOM 1024 CB SER A 65 14.924 10.927 1.043 1.00 1.95 C ATOM 1025 OG SER A 65 13.825 10.195 1.582 1.00 4.22 O ATOM 0 H SER A 65 16.477 12.774 1.791 1.00 1.17 H new ATOM 0 HA SER A 65 14.001 12.624 0.038 1.00 1.65 H new ATOM 0 HB2 SER A 65 15.173 10.557 0.048 1.00 1.95 H new ATOM 0 HB3 SER A 65 15.809 10.791 1.664 1.00 1.95 H new ATOM 0 HG SER A 65 13.578 9.475 0.965 1.00 4.22 H new ATOM 1031 N LYS A 66 12.588 12.153 2.332 1.00 1.24 N ATOM 1032 CA LYS A 66 11.586 12.444 3.379 1.00 1.17 C ATOM 1033 C LYS A 66 12.064 11.618 4.587 1.00 0.87 C ATOM 1034 O LYS A 66 12.083 12.042 5.721 1.00 0.70 O ATOM 1035 CB LYS A 66 10.225 11.914 3.018 1.00 1.27 C ATOM 1036 CG LYS A 66 9.651 12.358 1.684 1.00 2.03 C ATOM 1037 CD LYS A 66 8.506 11.337 1.313 1.00 1.19 C ATOM 1038 CE LYS A 66 7.458 11.226 2.456 1.00 2.89 C ATOM 1039 NZ LYS A 66 7.908 10.266 3.529 1.00 4.94 N ATOM 0 H LYS A 66 12.421 11.285 1.824 1.00 1.24 H new ATOM 0 HA LYS A 66 11.503 13.519 3.541 1.00 1.17 H new ATOM 0 HB2 LYS A 66 10.272 10.825 3.022 1.00 1.27 H new ATOM 0 HB3 LYS A 66 9.527 12.206 3.803 1.00 1.27 H new ATOM 0 HG2 LYS A 66 9.257 13.372 1.752 1.00 2.03 H new ATOM 0 HG3 LYS A 66 10.424 12.367 0.915 1.00 2.03 H new ATOM 0 HD2 LYS A 66 8.014 11.657 0.395 1.00 1.19 H new ATOM 0 HD3 LYS A 66 8.939 10.356 1.117 1.00 1.19 H new ATOM 0 HE2 LYS A 66 7.291 12.210 2.894 1.00 2.89 H new ATOM 0 HE3 LYS A 66 6.505 10.893 2.046 1.00 2.89 H new ATOM 0 HZ1 LYS A 66 7.104 9.679 3.830 1.00 4.94 H new ATOM 0 HZ2 LYS A 66 8.661 9.655 3.154 1.00 4.94 H new ATOM 0 HZ3 LYS A 66 8.270 10.801 4.344 1.00 4.94 H new ATOM 1053 N GLU A 67 12.475 10.418 4.263 1.00 0.78 N ATOM 1054 CA GLU A 67 12.962 9.425 5.248 1.00 0.52 C ATOM 1055 C GLU A 67 14.063 9.907 6.224 1.00 0.29 C ATOM 1056 O GLU A 67 13.933 9.769 7.431 1.00 0.21 O ATOM 1057 CB GLU A 67 13.383 8.217 4.368 1.00 0.59 C ATOM 1058 CG GLU A 67 12.163 7.447 3.670 1.00 0.99 C ATOM 1059 CD GLU A 67 11.392 8.266 2.624 1.00 2.69 C ATOM 1060 OE1 GLU A 67 11.974 8.445 1.570 1.00 3.65 O ATOM 1061 OE2 GLU A 67 10.277 8.670 2.923 1.00 3.72 O ATOM 0 H GLU A 67 12.490 10.078 3.302 1.00 0.78 H new ATOM 0 HA GLU A 67 12.180 9.181 5.967 1.00 0.52 H new ATOM 0 HB2 GLU A 67 14.065 8.568 3.594 1.00 0.59 H new ATOM 0 HB3 GLU A 67 13.937 7.510 4.985 1.00 0.59 H new ATOM 0 HG2 GLU A 67 12.547 6.546 3.193 1.00 0.99 H new ATOM 0 HG3 GLU A 67 11.466 7.125 4.444 1.00 0.99 H new ATOM 1068 N ASP A 68 15.144 10.462 5.743 1.00 0.31 N ATOM 1069 CA ASP A 68 16.180 10.923 6.713 1.00 0.17 C ATOM 1070 C ASP A 68 15.619 12.026 7.581 1.00 0.10 C ATOM 1071 O ASP A 68 15.803 12.037 8.786 1.00 0.12 O ATOM 1072 CB ASP A 68 17.391 11.298 5.865 1.00 0.32 C ATOM 1073 CG ASP A 68 18.384 10.166 6.123 1.00 0.30 C ATOM 1074 OD1 ASP A 68 19.070 10.251 7.132 1.00 2.49 O ATOM 1075 OD2 ASP A 68 18.407 9.236 5.337 1.00 1.86 O ATOM 0 H ASP A 68 15.351 10.613 4.756 1.00 0.31 H new ATOM 0 HA ASP A 68 16.489 10.164 7.432 1.00 0.17 H new ATOM 0 HB2 ASP A 68 17.132 11.370 4.809 1.00 0.32 H new ATOM 0 HB3 ASP A 68 17.801 12.264 6.159 1.00 0.32 H new ATOM 1080 N ALA A 69 14.945 12.916 6.918 1.00 0.22 N ATOM 1081 CA ALA A 69 14.305 14.061 7.631 1.00 0.27 C ATOM 1082 C ALA A 69 13.456 13.405 8.761 1.00 0.35 C ATOM 1083 O ALA A 69 13.575 13.777 9.909 1.00 0.42 O ATOM 1084 CB ALA A 69 13.476 14.807 6.592 1.00 0.38 C ATOM 0 H ALA A 69 14.806 12.904 5.908 1.00 0.22 H new ATOM 0 HA ALA A 69 14.987 14.783 8.080 1.00 0.27 H new ATOM 0 HB1 ALA A 69 12.984 15.658 7.062 1.00 0.38 H new ATOM 0 HB2 ALA A 69 14.127 15.160 5.793 1.00 0.38 H new ATOM 0 HB3 ALA A 69 12.723 14.136 6.177 1.00 0.38 H new ATOM 1090 N MET A 70 12.630 12.452 8.399 1.00 0.41 N ATOM 1091 CA MET A 70 11.769 11.716 9.346 1.00 0.52 C ATOM 1092 C MET A 70 12.589 11.192 10.539 1.00 0.50 C ATOM 1093 O MET A 70 12.317 11.553 11.660 1.00 0.55 O ATOM 1094 CB MET A 70 11.141 10.594 8.539 1.00 0.58 C ATOM 1095 CG MET A 70 9.966 11.144 7.711 1.00 0.73 C ATOM 1096 SD MET A 70 8.908 10.008 6.780 1.00 0.88 S ATOM 1097 CE MET A 70 7.393 11.001 6.848 1.00 0.98 C ATOM 0 H MET A 70 12.522 12.149 7.431 1.00 0.41 H new ATOM 0 HA MET A 70 10.999 12.353 9.782 1.00 0.52 H new ATOM 0 HB2 MET A 70 11.885 10.147 7.880 1.00 0.58 H new ATOM 0 HB3 MET A 70 10.791 9.806 9.205 1.00 0.58 H new ATOM 0 HG2 MET A 70 9.323 11.703 8.391 1.00 0.73 H new ATOM 0 HG3 MET A 70 10.377 11.861 7.000 1.00 0.73 H new ATOM 0 HE1 MET A 70 6.784 10.796 5.967 1.00 0.98 H new ATOM 0 HE2 MET A 70 6.830 10.745 7.746 1.00 0.98 H new ATOM 0 HE3 MET A 70 7.652 12.059 6.872 1.00 0.98 H new ATOM 1107 N LYS A 71 13.567 10.369 10.250 1.00 0.44 N ATOM 1108 CA LYS A 71 14.438 9.791 11.331 1.00 0.47 C ATOM 1109 C LYS A 71 14.943 10.907 12.268 1.00 0.45 C ATOM 1110 O LYS A 71 14.615 10.965 13.437 1.00 0.49 O ATOM 1111 CB LYS A 71 15.714 9.094 10.763 1.00 0.50 C ATOM 1112 CG LYS A 71 15.426 7.762 10.027 1.00 0.63 C ATOM 1113 CD LYS A 71 16.762 7.206 9.388 1.00 0.66 C ATOM 1114 CE LYS A 71 17.200 8.172 8.290 1.00 0.60 C ATOM 1115 NZ LYS A 71 18.401 7.713 7.533 1.00 2.00 N ATOM 0 H LYS A 71 13.804 10.068 9.305 1.00 0.44 H new ATOM 0 HA LYS A 71 13.816 9.064 11.853 1.00 0.47 H new ATOM 0 HB2 LYS A 71 16.214 9.777 10.076 1.00 0.50 H new ATOM 0 HB3 LYS A 71 16.407 8.903 11.582 1.00 0.50 H new ATOM 0 HG2 LYS A 71 15.014 7.032 10.724 1.00 0.63 H new ATOM 0 HG3 LYS A 71 14.678 7.919 9.250 1.00 0.63 H new ATOM 0 HD2 LYS A 71 17.538 7.116 10.148 1.00 0.66 H new ATOM 0 HD3 LYS A 71 16.601 6.210 8.977 1.00 0.66 H new ATOM 0 HE2 LYS A 71 16.374 8.315 7.593 1.00 0.60 H new ATOM 0 HE3 LYS A 71 17.412 9.144 8.736 1.00 0.60 H new ATOM 0 HZ1 LYS A 71 19.231 8.264 7.832 1.00 2.00 H new ATOM 0 HZ2 LYS A 71 18.567 6.704 7.724 1.00 2.00 H new ATOM 0 HZ3 LYS A 71 18.243 7.851 6.514 1.00 2.00 H new ATOM 1129 N ALA A 72 15.727 11.781 11.684 1.00 0.38 N ATOM 1130 CA ALA A 72 16.322 12.924 12.427 1.00 0.37 C ATOM 1131 C ALA A 72 15.290 13.707 13.234 1.00 0.43 C ATOM 1132 O ALA A 72 15.450 13.938 14.412 1.00 0.49 O ATOM 1133 CB ALA A 72 17.014 13.787 11.371 1.00 0.36 C ATOM 0 H ALA A 72 15.983 11.744 10.697 1.00 0.38 H new ATOM 0 HA ALA A 72 17.030 12.573 13.178 1.00 0.37 H new ATOM 0 HB1 ALA A 72 17.475 14.650 11.851 1.00 0.36 H new ATOM 0 HB2 ALA A 72 17.781 13.199 10.867 1.00 0.36 H new ATOM 0 HB3 ALA A 72 16.280 14.128 10.641 1.00 0.36 H new ATOM 1139 N TYR A 73 14.241 14.080 12.568 1.00 0.43 N ATOM 1140 CA TYR A 73 13.156 14.850 13.220 1.00 0.49 C ATOM 1141 C TYR A 73 12.580 14.018 14.376 1.00 0.39 C ATOM 1142 O TYR A 73 12.550 14.467 15.499 1.00 0.40 O ATOM 1143 CB TYR A 73 12.170 15.124 12.101 1.00 0.57 C ATOM 1144 CG TYR A 73 11.001 15.983 12.535 1.00 0.58 C ATOM 1145 CD1 TYR A 73 10.042 15.505 13.401 1.00 2.20 C ATOM 1146 CD2 TYR A 73 10.890 17.259 12.037 1.00 2.64 C ATOM 1147 CE1 TYR A 73 8.986 16.306 13.754 1.00 2.22 C ATOM 1148 CE2 TYR A 73 9.833 18.045 12.397 1.00 2.59 C ATOM 1149 CZ TYR A 73 8.882 17.572 13.253 1.00 0.54 C ATOM 1150 OH TYR A 73 7.821 18.366 13.611 1.00 0.50 O ATOM 0 H TYR A 73 14.087 13.880 11.580 1.00 0.43 H new ATOM 0 HA TYR A 73 13.469 15.790 13.674 1.00 0.49 H new ATOM 0 HB2 TYR A 73 12.690 15.617 11.280 1.00 0.57 H new ATOM 0 HB3 TYR A 73 11.793 14.176 11.717 1.00 0.57 H new ATOM 0 HD1 TYR A 73 10.121 14.505 13.800 1.00 2.20 H new ATOM 0 HD2 TYR A 73 11.640 17.641 11.360 1.00 2.64 H new ATOM 0 HE1 TYR A 73 8.233 15.933 14.432 1.00 2.22 H new ATOM 0 HE2 TYR A 73 9.749 19.047 12.002 1.00 2.59 H new ATOM 0 HH TYR A 73 7.899 19.236 13.167 1.00 0.50 H new ATOM 1160 N ILE A 74 12.151 12.827 14.068 1.00 0.33 N ATOM 1161 CA ILE A 74 11.567 11.930 15.116 1.00 0.31 C ATOM 1162 C ILE A 74 12.500 11.885 16.305 1.00 0.26 C ATOM 1163 O ILE A 74 12.090 12.208 17.396 1.00 0.25 O ATOM 1164 CB ILE A 74 11.372 10.501 14.569 1.00 0.37 C ATOM 1165 CG1 ILE A 74 10.256 10.497 13.499 1.00 0.29 C ATOM 1166 CG2 ILE A 74 10.889 9.619 15.754 1.00 0.62 C ATOM 1167 CD1 ILE A 74 10.340 9.209 12.672 1.00 0.34 C ATOM 0 H ILE A 74 12.178 12.429 13.129 1.00 0.33 H new ATOM 0 HA ILE A 74 10.595 12.325 15.412 1.00 0.31 H new ATOM 0 HB ILE A 74 12.302 10.135 14.133 1.00 0.37 H new ATOM 0 HG12 ILE A 74 9.279 10.571 13.978 1.00 0.29 H new ATOM 0 HG13 ILE A 74 10.359 11.366 12.849 1.00 0.29 H new ATOM 0 HG21 ILE A 74 10.738 8.596 15.409 1.00 0.62 H new ATOM 0 HG22 ILE A 74 11.640 9.628 16.544 1.00 0.62 H new ATOM 0 HG23 ILE A 74 9.950 10.013 16.142 1.00 0.62 H new ATOM 0 HD11 ILE A 74 9.552 9.208 11.918 1.00 0.34 H new ATOM 0 HD12 ILE A 74 11.312 9.154 12.181 1.00 0.34 H new ATOM 0 HD13 ILE A 74 10.216 8.347 13.327 1.00 0.34 H new ATOM 1179 N ASP A 75 13.723 11.502 16.078 1.00 0.26 N ATOM 1180 CA ASP A 75 14.700 11.429 17.180 1.00 0.31 C ATOM 1181 C ASP A 75 14.746 12.781 17.894 1.00 0.29 C ATOM 1182 O ASP A 75 14.593 12.890 19.096 1.00 0.30 O ATOM 1183 CB ASP A 75 15.996 11.038 16.506 1.00 0.38 C ATOM 1184 CG ASP A 75 16.040 9.533 16.319 1.00 0.65 C ATOM 1185 OD1 ASP A 75 15.206 9.052 15.573 1.00 1.54 O ATOM 1186 OD2 ASP A 75 16.919 8.970 16.943 1.00 2.66 O ATOM 0 H ASP A 75 14.085 11.235 15.163 1.00 0.26 H new ATOM 0 HA ASP A 75 14.459 10.705 17.959 1.00 0.31 H new ATOM 0 HB2 ASP A 75 16.080 11.537 15.541 1.00 0.38 H new ATOM 0 HB3 ASP A 75 16.844 11.364 17.109 1.00 0.38 H new ATOM 1191 N LYS A 76 14.937 13.801 17.106 1.00 0.28 N ATOM 1192 CA LYS A 76 15.003 15.150 17.715 1.00 0.35 C ATOM 1193 C LYS A 76 13.791 15.425 18.615 1.00 0.41 C ATOM 1194 O LYS A 76 13.889 16.004 19.676 1.00 0.36 O ATOM 1195 CB LYS A 76 15.043 16.217 16.636 1.00 0.53 C ATOM 1196 CG LYS A 76 16.138 17.244 17.054 1.00 0.98 C ATOM 1197 CD LYS A 76 15.996 17.657 18.577 1.00 1.35 C ATOM 1198 CE LYS A 76 17.100 18.581 18.945 1.00 1.73 C ATOM 1199 NZ LYS A 76 16.762 19.847 18.271 1.00 2.39 N ATOM 0 H LYS A 76 15.047 13.760 16.093 1.00 0.28 H new ATOM 0 HA LYS A 76 15.911 15.182 18.317 1.00 0.35 H new ATOM 0 HB2 LYS A 76 15.277 15.777 15.666 1.00 0.53 H new ATOM 0 HB3 LYS A 76 14.073 16.705 16.539 1.00 0.53 H new ATOM 0 HG2 LYS A 76 17.125 16.815 16.883 1.00 0.98 H new ATOM 0 HG3 LYS A 76 16.064 18.132 16.427 1.00 0.98 H new ATOM 0 HD2 LYS A 76 15.033 18.139 18.746 1.00 1.35 H new ATOM 0 HD3 LYS A 76 16.024 16.770 19.210 1.00 1.35 H new ATOM 0 HE2 LYS A 76 17.165 18.711 20.025 1.00 1.73 H new ATOM 0 HE3 LYS A 76 18.065 18.199 18.612 1.00 1.73 H new ATOM 0 HZ1 LYS A 76 17.584 20.182 17.728 1.00 2.39 H new ATOM 0 HZ2 LYS A 76 15.960 19.694 17.626 1.00 2.39 H new ATOM 0 HZ3 LYS A 76 16.503 20.560 18.982 1.00 2.39 H new ATOM 1213 N VAL A 77 12.650 15.003 18.163 1.00 0.55 N ATOM 1214 CA VAL A 77 11.389 15.198 18.924 1.00 0.63 C ATOM 1215 C VAL A 77 11.367 14.293 20.142 1.00 0.63 C ATOM 1216 O VAL A 77 11.053 14.773 21.211 1.00 0.64 O ATOM 1217 CB VAL A 77 10.233 14.892 17.995 1.00 0.56 C ATOM 1218 CG1 VAL A 77 8.935 14.893 18.827 1.00 0.58 C ATOM 1219 CG2 VAL A 77 10.175 16.013 16.930 1.00 0.59 C ATOM 0 H VAL A 77 12.534 14.518 17.273 1.00 0.55 H new ATOM 0 HA VAL A 77 11.311 16.225 19.281 1.00 0.63 H new ATOM 0 HB VAL A 77 10.354 13.924 17.510 1.00 0.56 H new ATOM 0 HG11 VAL A 77 8.087 14.675 18.178 1.00 0.58 H new ATOM 0 HG12 VAL A 77 9.001 14.133 19.606 1.00 0.58 H new ATOM 0 HG13 VAL A 77 8.798 15.872 19.286 1.00 0.58 H new ATOM 0 HG21 VAL A 77 9.350 15.821 16.244 1.00 0.59 H new ATOM 0 HG22 VAL A 77 10.022 16.974 17.421 1.00 0.59 H new ATOM 0 HG23 VAL A 77 11.112 16.035 16.374 1.00 0.59 H new ATOM 1229 N GLU A 78 11.673 13.031 19.987 1.00 0.62 N ATOM 1230 CA GLU A 78 11.674 12.131 21.180 1.00 0.66 C ATOM 1231 C GLU A 78 12.504 12.857 22.235 1.00 0.69 C ATOM 1232 O GLU A 78 12.125 12.895 23.393 1.00 0.71 O ATOM 1233 CB GLU A 78 12.330 10.772 20.869 1.00 0.63 C ATOM 1234 CG GLU A 78 12.241 9.859 22.179 1.00 0.74 C ATOM 1235 CD GLU A 78 10.811 9.536 22.596 1.00 1.82 C ATOM 1236 OE1 GLU A 78 9.899 9.823 21.842 1.00 3.41 O ATOM 1237 OE2 GLU A 78 10.641 9.015 23.686 1.00 3.17 O ATOM 0 H GLU A 78 11.919 12.589 19.101 1.00 0.62 H new ATOM 0 HA GLU A 78 10.654 11.925 21.505 1.00 0.66 H new ATOM 0 HB2 GLU A 78 11.823 10.288 20.034 1.00 0.63 H new ATOM 0 HB3 GLU A 78 13.370 10.911 20.573 1.00 0.63 H new ATOM 0 HG2 GLU A 78 12.779 8.928 22.001 1.00 0.74 H new ATOM 0 HG3 GLU A 78 12.746 10.366 23.001 1.00 0.74 H new ATOM 1244 N GLU A 79 13.591 13.430 21.778 1.00 0.66 N ATOM 1245 CA GLU A 79 14.504 14.185 22.686 1.00 0.65 C ATOM 1246 C GLU A 79 13.763 15.434 23.206 1.00 0.51 C ATOM 1247 O GLU A 79 13.580 15.565 24.395 1.00 0.53 O ATOM 1248 CB GLU A 79 15.752 14.527 21.850 1.00 0.69 C ATOM 1249 CG GLU A 79 16.532 13.206 21.629 1.00 1.03 C ATOM 1250 CD GLU A 79 17.355 12.944 22.889 1.00 3.19 C ATOM 1251 OE1 GLU A 79 18.472 13.444 22.914 1.00 2.99 O ATOM 1252 OE2 GLU A 79 16.793 12.279 23.744 1.00 5.32 O ATOM 0 H GLU A 79 13.886 13.405 20.802 1.00 0.66 H new ATOM 0 HA GLU A 79 14.809 13.617 23.565 1.00 0.65 H new ATOM 0 HB2 GLU A 79 15.466 14.969 20.896 1.00 0.69 H new ATOM 0 HB3 GLU A 79 16.373 15.258 22.367 1.00 0.69 H new ATOM 0 HG2 GLU A 79 15.844 12.381 21.442 1.00 1.03 H new ATOM 0 HG3 GLU A 79 17.181 13.285 20.757 1.00 1.03 H new ATOM 1259 N LEU A 80 13.352 16.330 22.346 1.00 0.42 N ATOM 1260 CA LEU A 80 12.610 17.563 22.802 1.00 0.31 C ATOM 1261 C LEU A 80 11.551 17.232 23.803 1.00 0.41 C ATOM 1262 O LEU A 80 11.325 17.939 24.759 1.00 0.71 O ATOM 1263 CB LEU A 80 11.904 18.269 21.630 1.00 0.15 C ATOM 1264 CG LEU A 80 12.889 18.938 20.701 1.00 0.36 C ATOM 1265 CD1 LEU A 80 12.096 19.557 19.544 1.00 0.40 C ATOM 1266 CD2 LEU A 80 13.529 20.096 21.443 1.00 0.54 C ATOM 0 H LEU A 80 13.496 16.267 21.338 1.00 0.42 H new ATOM 0 HA LEU A 80 13.367 18.212 23.243 1.00 0.31 H new ATOM 0 HB2 LEU A 80 11.313 17.543 21.071 1.00 0.15 H new ATOM 0 HB3 LEU A 80 11.209 19.013 22.020 1.00 0.15 H new ATOM 0 HG LEU A 80 13.631 18.219 20.354 1.00 0.36 H new ATOM 0 HD11 LEU A 80 12.782 20.049 18.855 1.00 0.40 H new ATOM 0 HD12 LEU A 80 11.551 18.774 19.017 1.00 0.40 H new ATOM 0 HD13 LEU A 80 11.390 20.289 19.937 1.00 0.40 H new ATOM 0 HD21 LEU A 80 14.245 20.595 20.790 1.00 0.54 H new ATOM 0 HD22 LEU A 80 12.758 20.805 21.745 1.00 0.54 H new ATOM 0 HD23 LEU A 80 14.044 19.721 22.328 1.00 0.54 H new ATOM 1278 N LYS A 81 10.929 16.126 23.568 1.00 0.25 N ATOM 1279 CA LYS A 81 9.844 15.648 24.455 1.00 0.35 C ATOM 1280 C LYS A 81 10.489 15.237 25.776 1.00 0.48 C ATOM 1281 O LYS A 81 9.976 15.618 26.806 1.00 0.57 O ATOM 1282 CB LYS A 81 9.180 14.503 23.732 1.00 0.26 C ATOM 1283 CG LYS A 81 8.168 13.805 24.661 1.00 0.39 C ATOM 1284 CD LYS A 81 7.343 12.758 23.848 1.00 0.38 C ATOM 1285 CE LYS A 81 8.242 11.852 23.027 1.00 0.44 C ATOM 1286 NZ LYS A 81 9.256 11.267 23.953 1.00 3.11 N ATOM 0 H LYS A 81 11.130 15.514 22.777 1.00 0.25 H new ATOM 0 HA LYS A 81 9.085 16.397 24.681 1.00 0.35 H new ATOM 0 HB2 LYS A 81 8.673 14.871 22.840 1.00 0.26 H new ATOM 0 HB3 LYS A 81 9.932 13.788 23.399 1.00 0.26 H new ATOM 0 HG2 LYS A 81 8.691 13.313 25.481 1.00 0.39 H new ATOM 0 HG3 LYS A 81 7.500 14.542 25.106 1.00 0.39 H new ATOM 0 HD2 LYS A 81 6.745 12.155 24.532 1.00 0.38 H new ATOM 0 HD3 LYS A 81 6.647 13.276 23.188 1.00 0.38 H new ATOM 0 HE2 LYS A 81 7.659 11.064 22.550 1.00 0.44 H new ATOM 0 HE3 LYS A 81 8.729 12.415 22.231 1.00 0.44 H new ATOM 0 HZ1 LYS A 81 10.177 11.722 23.791 1.00 3.11 H new ATOM 0 HZ2 LYS A 81 8.960 11.426 24.937 1.00 3.11 H new ATOM 0 HZ3 LYS A 81 9.338 10.245 23.777 1.00 3.11 H new ATOM 1300 N LYS A 82 11.567 14.505 25.730 1.00 0.51 N ATOM 1301 CA LYS A 82 12.226 14.093 27.012 1.00 0.66 C ATOM 1302 C LYS A 82 12.676 15.345 27.808 1.00 0.69 C ATOM 1303 O LYS A 82 12.476 15.445 29.000 1.00 0.70 O ATOM 1304 CB LYS A 82 13.428 13.205 26.650 1.00 0.74 C ATOM 1305 CG LYS A 82 12.954 11.740 26.505 1.00 0.79 C ATOM 1306 CD LYS A 82 13.491 10.910 27.708 1.00 2.55 C ATOM 1307 CE LYS A 82 13.016 11.472 29.061 1.00 3.71 C ATOM 1308 NZ LYS A 82 13.758 10.731 30.119 1.00 6.11 N ATOM 0 H LYS A 82 12.019 14.176 24.877 1.00 0.51 H new ATOM 0 HA LYS A 82 11.532 13.539 27.645 1.00 0.66 H new ATOM 0 HB2 LYS A 82 13.881 13.547 25.719 1.00 0.74 H new ATOM 0 HB3 LYS A 82 14.194 13.277 27.422 1.00 0.74 H new ATOM 0 HG2 LYS A 82 11.865 11.698 26.475 1.00 0.79 H new ATOM 0 HG3 LYS A 82 13.315 11.319 25.567 1.00 0.79 H new ATOM 0 HD2 LYS A 82 13.161 9.876 27.610 1.00 2.55 H new ATOM 0 HD3 LYS A 82 14.581 10.900 27.683 1.00 2.55 H new ATOM 0 HE2 LYS A 82 13.215 12.542 29.127 1.00 3.71 H new ATOM 0 HE3 LYS A 82 11.940 11.340 29.178 1.00 3.71 H new ATOM 0 HZ1 LYS A 82 13.468 11.079 31.055 1.00 6.11 H new ATOM 0 HZ2 LYS A 82 13.545 9.716 30.046 1.00 6.11 H new ATOM 0 HZ3 LYS A 82 14.780 10.880 29.996 1.00 6.11 H new ATOM 1322 N LYS A 83 13.263 16.231 27.060 1.00 0.74 N ATOM 1323 CA LYS A 83 13.832 17.555 27.482 1.00 0.74 C ATOM 1324 C LYS A 83 12.840 18.589 28.048 1.00 0.71 C ATOM 1325 O LYS A 83 13.002 19.136 29.119 1.00 0.85 O ATOM 1326 CB LYS A 83 14.553 18.098 26.219 1.00 0.56 C ATOM 1327 CG LYS A 83 15.733 19.057 26.479 1.00 0.73 C ATOM 1328 CD LYS A 83 15.254 20.311 27.273 1.00 2.76 C ATOM 1329 CE LYS A 83 16.357 21.344 27.373 1.00 2.82 C ATOM 1330 NZ LYS A 83 17.474 20.682 28.116 1.00 5.21 N ATOM 0 H LYS A 83 13.385 16.073 26.060 1.00 0.74 H new ATOM 0 HA LYS A 83 14.488 17.391 28.337 1.00 0.74 H new ATOM 0 HB2 LYS A 83 14.919 17.250 25.640 1.00 0.56 H new ATOM 0 HB3 LYS A 83 13.820 18.614 25.599 1.00 0.56 H new ATOM 0 HG2 LYS A 83 16.512 18.540 27.039 1.00 0.73 H new ATOM 0 HG3 LYS A 83 16.174 19.366 25.531 1.00 0.73 H new ATOM 0 HD2 LYS A 83 14.385 20.748 26.780 1.00 2.76 H new ATOM 0 HD3 LYS A 83 14.937 20.014 28.273 1.00 2.76 H new ATOM 0 HE2 LYS A 83 16.682 21.665 26.383 1.00 2.82 H new ATOM 0 HE3 LYS A 83 16.012 22.234 27.899 1.00 2.82 H new ATOM 0 HZ1 LYS A 83 18.115 21.407 28.497 1.00 5.21 H new ATOM 0 HZ2 LYS A 83 17.084 20.119 28.899 1.00 5.21 H new ATOM 0 HZ3 LYS A 83 18.000 20.059 27.470 1.00 5.21 H new ATOM 1344 N TYR A 84 11.841 18.802 27.260 1.00 0.59 N ATOM 1345 CA TYR A 84 10.741 19.770 27.570 1.00 0.72 C ATOM 1346 C TYR A 84 9.382 19.183 28.088 1.00 1.55 C ATOM 1347 O TYR A 84 8.728 19.863 28.857 1.00 2.46 O ATOM 1348 CB TYR A 84 10.520 20.592 26.272 1.00 0.70 C ATOM 1349 CG TYR A 84 11.767 21.419 25.825 1.00 0.70 C ATOM 1350 CD1 TYR A 84 12.298 22.422 26.615 1.00 2.88 C ATOM 1351 CD2 TYR A 84 12.372 21.183 24.602 1.00 2.11 C ATOM 1352 CE1 TYR A 84 13.397 23.165 26.191 1.00 3.28 C ATOM 1353 CE2 TYR A 84 13.469 21.928 24.184 1.00 2.07 C ATOM 1354 CZ TYR A 84 13.988 22.921 24.969 1.00 1.73 C ATOM 1355 OH TYR A 84 15.076 23.655 24.529 1.00 2.30 O ATOM 0 H TYR A 84 11.726 18.326 26.365 1.00 0.59 H new ATOM 0 HA TYR A 84 11.070 20.359 28.426 1.00 0.72 H new ATOM 0 HB2 TYR A 84 10.240 19.913 25.467 1.00 0.70 H new ATOM 0 HB3 TYR A 84 9.681 21.271 26.423 1.00 0.70 H new ATOM 0 HD1 TYR A 84 11.853 22.633 27.576 1.00 2.88 H new ATOM 0 HD2 TYR A 84 11.984 20.405 23.961 1.00 2.11 H new ATOM 0 HE1 TYR A 84 13.792 23.943 26.828 1.00 3.28 H new ATOM 0 HE2 TYR A 84 13.919 21.719 23.224 1.00 2.07 H new ATOM 0 HH TYR A 84 15.230 23.474 23.578 1.00 2.30 H new