USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 978 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 NoAdj-H: A 1 GLN H2 : A 1 GLN N : A 2 GLU CG :...(NH2R) USER MOD NoAdj-H: A 1 GLN H3 : A 1 GLN N : A 2 GLU CG :...(NH2R) USER MOD NoAdj-H: A 3 HIS HD1 : A 3 HIS ND1 : A 4 LYS N :(H bumps) USER MOD NoAdj-H: A 3 HIS HE2 : A 3 HIS NE2 : A 4 LYS N :(H bumps) USER MOD NoAdj-H: A 6 LYS HZ1 : A 6 LYS NZ : cyclic :(NH2R) USER MOD NoAdj-H: A 6 LYS HZ2 : A 6 LYS NZ : cyclic :(NH2R) USER MOD NoAdj-H: A 6 LYS HZ3 : A 6 LYS NZ : cyclic :(NH2R) USER MOD NoAdj-H: A 7 LYS HZ1 : A 7 LYS NZ : cyclic :(NH2R) USER MOD NoAdj-H: A 7 LYS HZ2 : A 7 LYS NZ : cyclic :(NH2R) USER MOD NoAdj-H: A 7 LYS HZ3 : A 7 LYS NZ : cyclic :(NH2R) USER MOD NoAdj-H: A 11 ARGHH11 : A 11 ARG NH1 : A 10 PHE CB :(H bumps) USER MOD NoAdj-H: A 11 ARGHH12 : A 11 ARG NH1 : A 10 PHE CB :(H bumps) USER MOD NoAdj-H: A 11 ARGHH22 : A 11 ARG NH2 : A 10 PHE CB :(H bumps) USER MOD NoAdj-H: A 12 ASNHD21 : A 12 ASN ND2 : A 13 GLU N :(H bumps) USER MOD NoAdj-H: A 81 ASP H : A 81 ASP N : A 80 THR C :(H bumps) USER MOD Set 1.1: A 70 GLN : amide:sc= 0 K(o=-31,f=-32) USER MOD Set 1.2: A 97 SER OG : rot -53:sc= -31.4! USER MOD Single : A 1 GLN : amide:sc= -2.44! C(o=-2.4!,f=-12!) USER MOD Single : A 1 GLN N :NH3+ 122:sc= -8.5! (180deg=-11.2!) USER MOD Single : A 4 LYS NZ :NH3+ -179:sc= -3.75! (180deg=-3.89!) USER MOD Single : A 16 HIS : no HE2:sc= -2.3! K(o=-2.3!,f=-0.43) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.74!) USER MOD Single : A 23 ASN : amide:sc=-0.000597 X(o=-0.0006,f=0) USER MOD Single : A 24 HIS : no HD1:sc= -0.635 K(o=-0.64,f=-0.07) USER MOD Single : A 28 LYS NZ :NH3+ 125:sc= -10.1! (180deg=-10.5!) USER MOD Single : A 31 HIS : no HD1:sc= -0.264 X(o=-0.26,f=-0.47) USER MOD Single : A 32 GLN : amide:sc= -6.03! C(o=-6!,f=-5.7!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0143 X(o=-0.014,f=0) USER MOD Single : A 38 HIS : no HD1:sc=-0.00344 X(o=-0.0034,f=-0.2) USER MOD Single : A 39 GLN : amide:sc= -0.0175 K(o=-0.017,f=-0.85) USER MOD Single : A 44 ASN : amide:sc= 0.0203 X(o=0.02,f=0) USER MOD Single : A 46 ASN : amide:sc= -0.405 K(o=-0.4,f=-9!) USER MOD Single : A 47 LYS NZ :NH3+ -132:sc= -31.8! (180deg=-32.1!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 54 LYS NZ :NH3+ 150:sc= -6.26! (180deg=-6.49!) USER MOD Single : A 63 CYS SG : rot 180:sc= -34.8! USER MOD Single : A 65 MET CE :methyl -149:sc= -0.839 (180deg=-1.81!) USER MOD Single : A 78 LYS NZ :NH3+ 178:sc= -36.3! (180deg=-36.4!) USER MOD Single : A 83 ASN : amide:sc= -0.0433 X(o=-0.043,f=-0.035) USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 90 TYR OH : rot -176:sc= -0.598 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 62:sc= 1.29 USER MOD Single : A 98 LYS NZ :NH3+ -120:sc= -9.25! (180deg=-9.49!) USER MOD Single : A 102 LYS NZ :NH3+ -106:sc= 0 (180deg=-0.241) USER MOD Single : A 105 LYS NZ :NH3+ 138:sc= -35.8! (180deg=-36.3!) USER MOD Single : A 107 THR OG1 : rot 72:sc= -0.0693 USER MOD Single : A 109 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.022) USER MOD Single : A 110 LYS NZ :NH3+ -167:sc= -35.3! (180deg=-35.6!) USER MOD Single : A 112 LYS NZ :NH3+ 154:sc= -31.7! (180deg=-31.8!) USER MOD Single : A 115 GLN : amide:sc=-0.000833 K(o=-0.00083,f=-2.1!) USER MOD Single : A 116 THR OG1 : rot -109:sc= -0.141 USER MOD Single : A 117 GLN : amide:sc= -0.485 K(o=-0.48,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 10.028 5.959 -12.794 1.00 14.54 N ATOM 2 CA GLN A 1 9.731 6.311 -12.472 1.00 14.00 C ATOM 3 C GLN A 1 9.392 6.850 -12.285 1.00 13.60 C ATOM 4 O GLN A 1 9.473 7.150 -12.349 1.00 13.81 O ATOM 5 CB GLN A 1 9.868 6.303 -12.618 1.00 14.20 C ATOM 6 CG GLN A 1 10.272 6.202 -12.731 1.00 14.70 C ATOM 7 CD GLN A 1 10.262 6.268 -12.790 1.00 15.15 C ATOM 8 OE1 GLN A 1 10.186 6.353 -12.756 1.00 15.52 O ATOM 9 NE2 GLN A 1 10.341 6.229 -12.880 1.00 15.27 N ATOM 0 H1 GLN A 1 10.938 5.752 -12.334 1.00 14.54 H new ATOM 0 HA GLN A 1 9.118 6.183 -11.580 1.00 14.00 H new ATOM 0 HB2 GLN A 1 9.319 5.712 -13.352 1.00 14.20 H new ATOM 0 HB3 GLN A 1 9.837 7.339 -12.955 1.00 14.20 H new ATOM 0 HG2 GLN A 1 11.037 6.349 -11.968 1.00 14.70 H new ATOM 0 HG3 GLN A 1 10.422 5.205 -13.144 1.00 14.70 H new ATOM 0 HE21 GLN A 1 10.850 5.352 -12.767 1.00 15.27 H new ATOM 0 HE22 GLN A 1 10.472 6.790 -13.722 1.00 15.27 H new ATOM 18 N GLU A 2 9.013 6.970 -12.054 1.00 13.16 N ATOM 19 CA GLU A 2 8.662 7.473 -11.859 1.00 12.90 C ATOM 20 C GLU A 2 8.279 8.015 -11.204 1.00 12.34 C ATOM 21 O GLU A 2 8.085 8.088 -11.164 1.00 12.16 O ATOM 22 CB GLU A 2 8.401 7.204 -11.875 1.00 13.12 C ATOM 23 CG GLU A 2 8.646 6.899 -12.570 1.00 13.21 C ATOM 24 CD GLU A 2 8.519 6.843 -12.841 1.00 13.06 C ATOM 25 OE1 GLU A 2 8.364 6.919 -13.082 1.00 13.23 O ATOM 26 OE2 GLU A 2 8.575 6.722 -12.812 1.00 12.98 O ATOM 0 HA GLU A 2 9.202 8.356 -12.202 1.00 12.90 H new ATOM 0 HB2 GLU A 2 8.453 6.497 -11.047 1.00 13.12 H new ATOM 0 HB3 GLU A 2 7.381 7.588 -11.903 1.00 13.12 H new ATOM 0 HG2 GLU A 2 9.498 7.529 -12.826 1.00 13.21 H new ATOM 0 HG3 GLU A 2 9.044 5.926 -12.282 1.00 13.21 H new ATOM 33 N HIS A 3 8.173 8.394 -10.691 1.00 12.19 N ATOM 34 CA HIS A 3 7.813 8.930 -10.037 1.00 11.73 C ATOM 35 C HIS A 3 7.734 9.489 -9.655 1.00 11.51 C ATOM 36 O HIS A 3 8.047 9.392 -9.732 1.00 11.84 O ATOM 37 CB HIS A 3 7.764 8.972 -9.690 1.00 11.88 C ATOM 38 CG HIS A 3 7.778 8.951 -9.647 1.00 12.10 C ATOM 39 ND1 HIS A 3 7.715 9.047 -9.763 1.00 12.27 N ATOM 40 CD2 HIS A 3 7.849 8.847 -9.498 1.00 12.36 C ATOM 41 CE1 HIS A 3 7.746 9.001 -9.689 1.00 12.63 C ATOM 42 NE2 HIS A 3 7.827 8.880 -9.528 1.00 12.70 N ATOM 0 HA HIS A 3 7.650 8.506 -11.028 1.00 11.73 H new ATOM 0 HB2 HIS A 3 8.067 10.009 -9.544 1.00 11.88 H new ATOM 0 HB3 HIS A 3 6.677 8.944 -9.611 1.00 11.88 H new ATOM 0 HD2 HIS A 3 8.287 8.197 -8.755 1.00 12.36 H new ATOM 0 HE1 HIS A 3 7.301 9.706 -9.002 1.00 12.63 H new ATOM 50 N LYS A 4 7.314 10.074 -9.242 1.00 11.08 N ATOM 51 CA LYS A 4 7.194 10.650 -8.846 1.00 10.94 C ATOM 52 C LYS A 4 6.889 11.179 -7.995 1.00 10.74 C ATOM 53 O LYS A 4 6.660 11.211 -7.647 1.00 10.65 O ATOM 54 CB LYS A 4 6.913 10.996 -8.852 1.00 10.77 C ATOM 55 CG LYS A 4 6.911 10.601 -9.595 1.00 11.02 C ATOM 56 CD LYS A 4 6.460 10.568 -9.840 1.00 11.15 C ATOM 57 CE LYS A 4 6.560 10.358 -10.170 1.00 11.53 C ATOM 58 NZ LYS A 4 6.125 10.396 -10.346 1.00 11.89 N ATOM 0 HA LYS A 4 8.087 10.093 -9.132 1.00 10.94 H new ATOM 0 HB2 LYS A 4 6.018 10.966 -8.230 1.00 10.77 H new ATOM 0 HB3 LYS A 4 7.313 12.008 -8.788 1.00 10.77 H new ATOM 0 HG2 LYS A 4 7.617 11.110 -10.251 1.00 11.02 H new ATOM 0 HG3 LYS A 4 7.289 9.590 -9.443 1.00 11.02 H new ATOM 0 HD2 LYS A 4 5.707 10.055 -9.242 1.00 11.15 H new ATOM 0 HD3 LYS A 4 6.056 11.550 -10.087 1.00 11.15 H new ATOM 0 HE2 LYS A 4 7.335 10.821 -10.781 1.00 11.53 H new ATOM 0 HE3 LYS A 4 6.878 9.334 -9.973 1.00 11.53 H new ATOM 0 HZ1 LYS A 4 6.074 9.897 -11.257 1.00 11.89 H new ATOM 0 HZ2 LYS A 4 5.444 9.975 -9.682 1.00 11.89 H new ATOM 0 HZ3 LYS A 4 5.895 11.400 -10.489 1.00 11.89 H new ATOM 72 N PRO A 5 6.885 11.606 -7.650 1.00 10.81 N ATOM 73 CA PRO A 5 6.609 12.143 -6.834 1.00 10.73 C ATOM 74 C PRO A 5 6.057 12.730 -6.218 1.00 10.19 C ATOM 75 O PRO A 5 5.924 12.948 -6.372 1.00 10.00 O ATOM 76 CB PRO A 5 6.781 12.406 -6.759 1.00 11.10 C ATOM 77 CG PRO A 5 6.944 12.253 -7.350 1.00 11.21 C ATOM 78 CD PRO A 5 7.149 11.598 -8.029 1.00 11.15 C ATOM 0 HA PRO A 5 6.295 11.100 -6.877 1.00 10.73 H new ATOM 0 HB2 PRO A 5 6.249 13.343 -6.594 1.00 11.10 H new ATOM 0 HB3 PRO A 5 7.535 12.326 -5.976 1.00 11.10 H new ATOM 0 HG2 PRO A 5 6.157 12.792 -7.878 1.00 11.21 H new ATOM 0 HG3 PRO A 5 7.850 12.854 -7.428 1.00 11.21 H new ATOM 0 HD2 PRO A 5 6.746 11.637 -9.041 1.00 11.15 H new ATOM 0 HD3 PRO A 5 8.101 11.071 -8.085 1.00 11.15 H new ATOM 86 N LYS A 6 5.738 12.985 -5.518 1.00 10.08 N ATOM 87 CA LYS A 6 5.200 13.548 -4.877 1.00 9.63 C ATOM 88 C LYS A 6 4.915 14.030 -4.320 1.00 9.50 C ATOM 89 O LYS A 6 5.006 14.069 -4.265 1.00 9.84 O ATOM 90 CB LYS A 6 4.969 13.520 -4.688 1.00 9.74 C ATOM 91 CG LYS A 6 4.948 13.467 -4.235 1.00 9.80 C ATOM 92 CD LYS A 6 5.009 13.106 -4.215 1.00 10.30 C ATOM 93 CE LYS A 6 5.044 13.119 -4.402 1.00 10.29 C ATOM 94 NZ LYS A 6 5.262 12.852 -4.035 1.00 10.55 N ATOM 0 HA LYS A 6 5.907 13.597 -5.705 1.00 9.63 H new ATOM 0 HB2 LYS A 6 4.366 14.408 -4.877 1.00 9.74 H new ATOM 0 HB3 LYS A 6 4.412 12.668 -5.078 1.00 9.74 H new ATOM 0 HG2 LYS A 6 5.703 14.050 -3.708 1.00 9.80 H new ATOM 0 HG3 LYS A 6 3.980 13.753 -3.823 1.00 9.80 H new ATOM 0 HD2 LYS A 6 5.848 12.796 -3.592 1.00 10.30 H new ATOM 0 HD3 LYS A 6 4.155 12.491 -3.929 1.00 10.30 H new ATOM 0 HE2 LYS A 6 4.399 12.671 -5.158 1.00 10.29 H new ATOM 0 HE3 LYS A 6 5.512 13.991 -4.858 1.00 10.29 H new ATOM 108 N LYS A 7 4.570 14.396 -3.907 1.00 9.19 N ATOM 109 CA LYS A 7 4.271 14.876 -3.352 1.00 9.23 C ATOM 110 C LYS A 7 3.799 15.292 -2.460 1.00 8.85 C ATOM 111 O LYS A 7 3.593 15.310 -2.427 1.00 8.71 O ATOM 112 CB LYS A 7 4.246 14.950 -3.501 1.00 9.57 C ATOM 113 CG LYS A 7 4.469 15.267 -2.946 1.00 9.97 C ATOM 114 CD LYS A 7 4.613 15.242 -2.924 1.00 10.43 C ATOM 115 CE LYS A 7 5.123 15.120 -3.231 1.00 11.08 C ATOM 116 NZ LYS A 7 5.530 15.258 -3.519 1.00 11.49 N ATOM 0 HA LYS A 7 4.540 14.591 -2.335 1.00 9.23 H new ATOM 0 HB2 LYS A 7 4.897 14.759 -4.354 1.00 9.57 H new ATOM 0 HB3 LYS A 7 3.245 15.121 -3.897 1.00 9.57 H new ATOM 0 HG2 LYS A 7 4.294 16.339 -3.042 1.00 9.97 H new ATOM 0 HG3 LYS A 7 3.902 14.928 -2.079 1.00 9.97 H new ATOM 0 HD2 LYS A 7 4.904 16.131 -2.364 1.00 10.43 H new ATOM 0 HD3 LYS A 7 4.584 14.414 -2.215 1.00 10.43 H new ATOM 0 HE2 LYS A 7 5.665 14.613 -2.433 1.00 11.08 H new ATOM 0 HE3 LYS A 7 4.725 14.347 -3.888 1.00 11.08 H new ATOM 130 N ASP A 8 3.631 15.627 -1.739 1.00 8.88 N ATOM 131 CA ASP A 8 3.183 16.044 -0.846 1.00 8.64 C ATOM 132 C ASP A 8 2.740 16.466 -0.608 1.00 8.34 C ATOM 133 O ASP A 8 2.690 16.720 -0.443 1.00 8.33 O ATOM 134 CB ASP A 8 3.434 16.379 -0.277 1.00 9.11 C ATOM 135 CG ASP A 8 3.268 16.416 0.142 1.00 9.57 C ATOM 136 OD1 ASP A 8 3.004 16.529 0.294 1.00 9.92 O ATOM 137 OD2 ASP A 8 3.402 16.333 0.317 1.00 9.79 O ATOM 0 HA ASP A 8 3.057 15.064 -1.306 1.00 8.64 H new ATOM 0 HB2 ASP A 8 4.431 15.961 -0.136 1.00 9.11 H new ATOM 0 HB3 ASP A 8 3.565 17.410 -0.607 1.00 9.11 H new ATOM 142 N ASP A 9 2.418 16.538 -0.594 1.00 8.35 N ATOM 143 CA ASP A 9 1.979 16.929 -0.376 1.00 8.31 C ATOM 144 C ASP A 9 1.216 17.136 0.317 1.00 8.04 C ATOM 145 O ASP A 9 0.845 17.313 0.556 1.00 8.11 O ATOM 146 CB ASP A 9 1.964 16.942 -0.692 1.00 8.76 C ATOM 147 CG ASP A 9 2.282 16.931 -0.660 1.00 9.26 C ATOM 148 OD1 ASP A 9 2.355 16.853 -0.495 1.00 9.21 O ATOM 149 OD2 ASP A 9 2.458 17.000 -0.800 1.00 9.91 O ATOM 0 HA ASP A 9 2.080 17.461 0.570 1.00 8.31 H new ATOM 0 HB2 ASP A 9 1.492 16.099 -1.196 1.00 8.76 H new ATOM 0 HB3 ASP A 9 1.545 17.849 -1.127 1.00 8.76 H new ATOM 154 N PHE A 10 0.985 17.113 0.636 1.00 7.96 N ATOM 155 CA PHE A 10 0.266 17.299 1.301 1.00 7.88 C ATOM 156 C PHE A 10 -0.204 17.660 1.699 1.00 7.21 C ATOM 157 O PHE A 10 -0.182 17.869 1.783 1.00 7.42 O ATOM 158 CB PHE A 10 0.383 17.154 1.398 1.00 8.50 C ATOM 159 CG PHE A 10 0.252 16.900 1.777 1.00 9.08 C ATOM 160 CD1 PHE A 10 0.082 16.599 1.752 1.00 9.53 C ATOM 161 CD2 PHE A 10 0.300 16.962 2.159 1.00 9.42 C ATOM 162 CE1 PHE A 10 -0.039 16.365 2.100 1.00 10.26 C ATOM 163 CE2 PHE A 10 0.180 16.728 2.508 1.00 10.16 C ATOM 164 CZ PHE A 10 0.011 16.430 2.479 1.00 10.57 C ATOM 0 HA PHE A 10 -0.575 17.802 0.823 1.00 7.88 H new ATOM 0 HB2 PHE A 10 0.647 16.426 0.631 1.00 8.50 H new ATOM 0 HB3 PHE A 10 1.304 17.661 1.686 1.00 8.50 H new ATOM 0 HD1 PHE A 10 -0.159 16.223 0.769 1.00 9.53 H new ATOM 0 HD2 PHE A 10 0.823 17.876 2.397 1.00 9.42 H new ATOM 0 HE1 PHE A 10 -0.566 15.452 1.866 1.00 10.26 H new ATOM 0 HE2 PHE A 10 0.422 17.098 3.493 1.00 10.16 H new ATOM 0 HZ PHE A 10 -0.318 15.796 3.289 1.00 10.57 H new ATOM 174 N ARG A 11 -0.627 17.732 1.942 1.00 6.71 N ATOM 175 CA ARG A 11 -1.101 18.067 2.330 1.00 6.25 C ATOM 176 C ARG A 11 -1.961 18.193 3.309 1.00 6.09 C ATOM 177 O ARG A 11 -2.346 17.829 3.615 1.00 6.34 O ATOM 178 CB ARG A 11 -1.048 18.091 1.966 1.00 6.18 C ATOM 179 CG ARG A 11 -0.696 18.180 1.652 1.00 6.79 C ATOM 180 CD ARG A 11 -0.495 18.235 1.374 1.00 7.10 C ATOM 181 NE ARG A 11 -0.403 18.305 1.105 1.00 7.47 N ATOM 182 CZ ARG A 11 -0.263 18.364 0.894 1.00 7.88 C ATOM 183 NH1 ARG A 11 -0.199 18.362 0.919 1.00 7.96 N ATOM 184 NH2 ARG A 11 -0.188 18.426 0.656 1.00 8.47 N ATOM 0 HA ARG A 11 -1.308 18.465 3.323 1.00 6.25 H new ATOM 0 HB2 ARG A 11 -1.413 17.123 1.623 1.00 6.18 H new ATOM 0 HB3 ARG A 11 -1.794 18.832 1.680 1.00 6.18 H new ATOM 0 HG2 ARG A 11 -0.412 19.118 2.130 1.00 6.79 H new ATOM 0 HG3 ARG A 11 -0.044 17.406 2.057 1.00 6.79 H new ATOM 0 HD2 ARG A 11 0.210 18.886 1.891 1.00 7.10 H new ATOM 0 HD3 ARG A 11 -0.060 17.235 1.369 1.00 7.10 H new ATOM 0 HE ARG A 11 -1.322 18.355 0.665 1.00 7.47 H new ATOM 0 HH21 ARG A 11 -0.883 18.566 -0.077 1.00 8.47 H new ATOM 198 N ASN A 12 -2.258 18.711 3.797 1.00 5.95 N ATOM 199 CA ASN A 12 -3.072 18.885 4.741 1.00 5.86 C ATOM 200 C ASN A 12 -3.761 18.997 5.023 1.00 5.19 C ATOM 201 O ASN A 12 -3.874 19.301 4.890 1.00 5.45 O ATOM 202 CB ASN A 12 -3.163 19.312 5.093 1.00 6.67 C ATOM 203 CG ASN A 12 -3.241 19.465 5.240 1.00 7.17 C ATOM 204 OD1 ASN A 12 -3.286 19.491 5.200 1.00 7.27 O ATOM 205 ND2 ASN A 12 -3.258 19.567 5.411 1.00 7.77 N ATOM 0 HA ASN A 12 -2.561 17.970 4.442 1.00 5.86 H new ATOM 0 HB2 ASN A 12 -2.273 19.100 5.685 1.00 6.67 H new ATOM 0 HB3 ASN A 12 -2.884 20.065 4.356 1.00 6.67 H new ATOM 0 HD22 ASN A 12 -2.653 19.342 6.201 1.00 7.77 H new ATOM 212 N GLU A 13 -4.219 18.748 5.414 1.00 4.69 N ATOM 213 CA GLU A 13 -4.896 18.820 5.715 1.00 4.34 C ATOM 214 C GLU A 13 -5.638 18.741 6.481 1.00 3.81 C ATOM 215 O GLU A 13 -5.803 18.438 6.925 1.00 4.00 O ATOM 216 CB GLU A 13 -4.946 18.682 5.414 1.00 4.71 C ATOM 217 CG GLU A 13 -4.932 18.438 5.027 1.00 5.08 C ATOM 218 CD GLU A 13 -4.873 18.540 4.565 1.00 5.44 C ATOM 219 OE1 GLU A 13 -4.993 18.816 4.411 1.00 5.73 O ATOM 220 OE2 GLU A 13 -4.707 18.345 4.357 1.00 5.77 O ATOM 0 HA GLU A 13 -4.983 19.586 6.486 1.00 4.34 H new ATOM 0 HB2 GLU A 13 -5.985 18.426 5.623 1.00 4.71 H new ATOM 0 HB3 GLU A 13 -4.952 19.641 4.895 1.00 4.71 H new ATOM 0 HG2 GLU A 13 -4.145 17.710 5.222 1.00 5.08 H new ATOM 0 HG3 GLU A 13 -5.878 17.896 5.042 1.00 5.08 H new ATOM 227 N PHE A 14 -6.084 19.015 6.632 1.00 3.62 N ATOM 228 CA PHE A 14 -6.808 18.976 7.344 1.00 3.41 C ATOM 229 C PHE A 14 -7.823 18.844 7.165 1.00 2.95 C ATOM 230 O PHE A 14 -8.412 18.963 7.480 1.00 3.11 O ATOM 231 CB PHE A 14 -6.751 19.566 7.696 1.00 4.14 C ATOM 232 CG PHE A 14 -6.197 19.814 7.773 1.00 4.60 C ATOM 233 CD1 PHE A 14 -5.926 19.715 7.747 1.00 5.11 C ATOM 234 CD2 PHE A 14 -5.947 20.145 7.873 1.00 4.98 C ATOM 235 CE1 PHE A 14 -5.415 19.942 7.818 1.00 5.84 C ATOM 236 CE2 PHE A 14 -5.436 20.373 7.944 1.00 5.73 C ATOM 237 CZ PHE A 14 -5.170 20.272 7.917 1.00 6.10 C ATOM 0 HA PHE A 14 -6.580 18.012 7.799 1.00 3.41 H new ATOM 0 HB2 PHE A 14 -7.377 20.307 7.199 1.00 4.14 H new ATOM 0 HB3 PHE A 14 -7.178 19.401 8.685 1.00 4.14 H new ATOM 0 HD1 PHE A 14 -5.886 18.678 7.447 1.00 5.11 H new ATOM 0 HD2 PHE A 14 -6.635 20.944 8.106 1.00 4.98 H new ATOM 0 HE1 PHE A 14 -4.724 19.144 7.589 1.00 5.84 H new ATOM 0 HE2 PHE A 14 -5.470 21.410 8.245 1.00 5.73 H new ATOM 0 HZ PHE A 14 -4.135 20.565 8.013 1.00 6.10 H new ATOM 247 N ASP A 15 -8.020 18.598 6.657 1.00 2.92 N ATOM 248 CA ASP A 15 -8.963 18.450 6.436 1.00 2.99 C ATOM 249 C ASP A 15 -9.855 17.753 6.824 1.00 2.54 C ATOM 250 O ASP A 15 -10.610 17.826 7.021 1.00 2.81 O ATOM 251 CB ASP A 15 -8.938 18.216 5.815 1.00 3.65 C ATOM 252 CG ASP A 15 -8.517 18.747 5.596 1.00 4.26 C ATOM 253 OD1 ASP A 15 -8.349 18.931 5.637 1.00 4.72 O ATOM 254 OD2 ASP A 15 -8.355 18.980 5.383 1.00 4.77 O ATOM 0 HA ASP A 15 -9.268 19.389 6.898 1.00 2.99 H new ATOM 0 HB2 ASP A 15 -8.491 17.226 5.728 1.00 3.65 H new ATOM 0 HB3 ASP A 15 -9.905 18.175 5.313 1.00 3.65 H new ATOM 259 N HIS A 16 -9.762 17.078 6.932 1.00 2.29 N ATOM 260 CA HIS A 16 -10.560 16.367 7.297 1.00 2.27 C ATOM 261 C HIS A 16 -11.508 16.221 6.644 1.00 1.65 C ATOM 262 O HIS A 16 -12.257 16.315 6.948 1.00 2.05 O ATOM 263 CB HIS A 16 -10.671 16.658 8.195 1.00 2.90 C ATOM 264 CG HIS A 16 -10.892 16.244 8.863 1.00 3.64 C ATOM 265 ND1 HIS A 16 -10.954 16.104 9.389 1.00 4.19 N ATOM 266 CD2 HIS A 16 -11.066 15.939 9.088 1.00 4.34 C ATOM 267 CE1 HIS A 16 -11.156 15.731 9.909 1.00 4.98 C ATOM 268 NE2 HIS A 16 -11.228 15.624 9.740 1.00 5.07 N ATOM 0 HA HIS A 16 -10.266 15.320 7.221 1.00 2.27 H new ATOM 0 HB2 HIS A 16 -9.711 17.103 8.457 1.00 2.90 H new ATOM 0 HB3 HIS A 16 -11.393 17.472 8.129 1.00 2.90 H new ATOM 0 HD1 HIS A 16 -10.475 16.870 9.862 1.00 4.19 H new ATOM 0 HD2 HIS A 16 -11.497 15.275 8.354 1.00 4.34 H new ATOM 0 HE1 HIS A 16 -11.130 15.695 10.988 1.00 4.98 H new ATOM 276 N LEU A 17 -11.470 15.992 5.745 1.00 1.02 N ATOM 277 CA LEU A 17 -12.325 15.833 5.049 1.00 0.55 C ATOM 278 C LEU A 17 -12.697 14.395 4.748 1.00 0.46 C ATOM 279 O LEU A 17 -11.843 13.521 4.689 1.00 0.49 O ATOM 280 CB LEU A 17 -12.036 16.543 4.133 1.00 0.81 C ATOM 281 CG LEU A 17 -12.262 17.702 3.995 1.00 1.31 C ATOM 282 CD1 LEU A 17 -12.485 18.310 3.682 1.00 1.93 C ATOM 283 CD2 LEU A 17 -12.518 18.236 3.996 1.00 2.08 C ATOM 0 HA LEU A 17 -13.290 16.100 5.479 1.00 0.55 H new ATOM 0 HB2 LEU A 17 -10.954 16.454 4.038 1.00 0.81 H new ATOM 0 HB3 LEU A 17 -12.473 16.064 3.257 1.00 0.81 H new ATOM 0 HG LEU A 17 -11.661 16.861 4.341 1.00 1.31 H new ATOM 0 HD11 LEU A 17 -12.313 19.150 4.355 1.00 1.93 H new ATOM 0 HD12 LEU A 17 -11.931 18.467 2.757 1.00 1.93 H new ATOM 0 HD13 LEU A 17 -13.549 18.235 3.459 1.00 1.93 H new ATOM 0 HD21 LEU A 17 -11.837 18.967 3.559 1.00 2.08 H new ATOM 0 HD22 LEU A 17 -13.437 18.200 3.410 1.00 2.08 H new ATOM 0 HD23 LEU A 17 -12.752 18.525 5.021 1.00 2.08 H new ATOM 295 N LEU A 18 -13.974 14.156 4.556 1.00 0.40 N ATOM 296 CA LEU A 18 -14.459 12.823 4.258 1.00 0.38 C ATOM 297 C LEU A 18 -13.757 12.244 3.038 1.00 0.32 C ATOM 298 O LEU A 18 -13.001 11.285 3.143 1.00 0.36 O ATOM 299 CB LEU A 18 -15.961 12.851 4.027 1.00 0.42 C ATOM 300 CG LEU A 18 -16.788 13.077 4.970 1.00 0.67 C ATOM 301 CD1 LEU A 18 -17.483 13.387 4.887 1.00 1.55 C ATOM 302 CD2 LEU A 18 -17.246 12.656 5.587 1.00 1.30 C ATOM 0 H LEU A 18 -14.701 14.870 4.601 1.00 0.40 H new ATOM 0 HA LEU A 18 -14.239 12.185 5.114 1.00 0.38 H new ATOM 0 HB2 LEU A 18 -16.146 13.603 3.260 1.00 0.42 H new ATOM 0 HB3 LEU A 18 -16.230 11.886 3.598 1.00 0.42 H new ATOM 0 HG LEU A 18 -15.767 13.407 5.158 1.00 0.67 H new ATOM 0 HD11 LEU A 18 -17.967 13.461 5.861 1.00 1.55 H new ATOM 0 HD12 LEU A 18 -17.388 14.382 4.452 1.00 1.55 H new ATOM 0 HD13 LEU A 18 -18.085 12.760 4.230 1.00 1.55 H new ATOM 0 HD21 LEU A 18 -17.833 13.375 6.159 1.00 1.30 H new ATOM 0 HD22 LEU A 18 -17.914 11.935 5.116 1.00 1.30 H new ATOM 0 HD23 LEU A 18 -16.562 12.133 6.255 1.00 1.30 H new ATOM 314 N ILE A 19 -14.009 12.834 1.882 1.00 0.28 N ATOM 315 CA ILE A 19 -13.399 12.379 0.643 1.00 0.25 C ATOM 316 C ILE A 19 -11.883 12.295 0.775 1.00 0.25 C ATOM 317 O ILE A 19 -11.262 11.347 0.307 1.00 0.26 O ATOM 318 CB ILE A 19 -13.749 13.309 -0.530 1.00 0.26 C ATOM 319 CG1 ILE A 19 -15.234 13.193 -0.876 1.00 0.26 C ATOM 320 CG2 ILE A 19 -12.890 12.980 -1.738 1.00 0.28 C ATOM 321 CD1 ILE A 19 -15.630 11.827 -1.380 1.00 0.26 C ATOM 0 H ILE A 19 -14.634 13.633 1.775 1.00 0.28 H new ATOM 0 HA ILE A 19 -13.799 11.386 0.441 1.00 0.25 H new ATOM 0 HB ILE A 19 -13.545 14.338 -0.233 1.00 0.26 H new ATOM 0 HG12 ILE A 19 -15.825 13.430 0.009 1.00 0.26 H new ATOM 0 HG13 ILE A 19 -15.482 13.937 -1.633 1.00 0.26 H new ATOM 0 HG21 ILE A 19 -13.149 13.646 -2.561 1.00 0.28 H new ATOM 0 HG22 ILE A 19 -11.838 13.110 -1.483 1.00 0.28 H new ATOM 0 HG23 ILE A 19 -13.065 11.947 -2.039 1.00 0.28 H new ATOM 0 HD11 ILE A 19 -16.696 11.817 -1.606 1.00 0.26 H new ATOM 0 HD12 ILE A 19 -15.066 11.595 -2.283 1.00 0.26 H new ATOM 0 HD13 ILE A 19 -15.414 11.081 -0.616 1.00 0.26 H new ATOM 333 N GLU A 20 -11.295 13.293 1.416 1.00 0.26 N ATOM 334 CA GLU A 20 -9.851 13.330 1.610 1.00 0.27 C ATOM 335 C GLU A 20 -9.358 12.054 2.284 1.00 0.26 C ATOM 336 O GLU A 20 -8.444 11.395 1.793 1.00 0.26 O ATOM 337 CB GLU A 20 -9.460 14.545 2.449 1.00 0.31 C ATOM 338 CG GLU A 20 -8.975 15.394 2.134 1.00 0.99 C ATOM 339 CD GLU A 20 -8.245 15.523 1.483 1.00 1.55 C ATOM 340 OE1 GLU A 20 -7.963 15.422 1.173 1.00 2.21 O ATOM 341 OE2 GLU A 20 -7.955 15.724 1.283 1.00 2.12 O ATOM 0 H GLU A 20 -11.795 14.089 1.812 1.00 0.26 H new ATOM 0 HA GLU A 20 -9.381 13.406 0.630 1.00 0.27 H new ATOM 0 HB2 GLU A 20 -10.390 14.896 2.896 1.00 0.31 H new ATOM 0 HB3 GLU A 20 -8.847 14.149 3.259 1.00 0.31 H new ATOM 0 HG2 GLU A 20 -9.775 16.039 1.771 1.00 0.99 H new ATOM 0 HG3 GLU A 20 -8.596 15.842 3.053 1.00 0.99 H new ATOM 348 N GLN A 21 -9.971 11.714 3.411 1.00 0.29 N ATOM 349 CA GLN A 21 -9.593 10.518 4.153 1.00 0.30 C ATOM 350 C GLN A 21 -9.834 9.264 3.322 1.00 0.29 C ATOM 351 O GLN A 21 -9.039 8.327 3.350 1.00 0.29 O ATOM 352 CB GLN A 21 -10.379 10.436 5.461 1.00 0.34 C ATOM 353 CG GLN A 21 -9.816 10.189 6.495 1.00 0.96 C ATOM 354 CD GLN A 21 -9.687 9.790 7.133 1.00 1.68 C ATOM 355 OE1 GLN A 21 -9.851 10.098 7.064 1.00 2.57 O ATOM 356 NE2 GLN A 21 -9.392 9.099 7.761 1.00 1.96 N ATOM 0 H GLN A 21 -10.731 12.249 3.831 1.00 0.29 H new ATOM 0 HA GLN A 21 -8.529 10.582 4.380 1.00 0.30 H new ATOM 0 HB2 GLN A 21 -10.888 11.391 5.591 1.00 0.34 H new ATOM 0 HB3 GLN A 21 -11.151 9.679 5.326 1.00 0.34 H new ATOM 0 HG2 GLN A 21 -8.801 10.155 6.099 1.00 0.96 H new ATOM 0 HG3 GLN A 21 -9.943 11.166 6.962 1.00 0.96 H new ATOM 0 HE21 GLN A 21 -8.879 8.286 7.421 1.00 1.96 H new ATOM 0 HE22 GLN A 21 -9.598 9.192 8.756 1.00 1.96 H new ATOM 365 N ALA A 22 -10.937 9.254 2.584 1.00 0.29 N ATOM 366 CA ALA A 22 -11.282 8.115 1.745 1.00 0.30 C ATOM 367 C ALA A 22 -10.236 7.899 0.658 1.00 0.28 C ATOM 368 O ALA A 22 -9.796 6.776 0.422 1.00 0.28 O ATOM 369 CB ALA A 22 -12.656 8.314 1.126 1.00 0.32 C ATOM 0 H ALA A 22 -11.607 10.022 2.550 1.00 0.29 H new ATOM 0 HA ALA A 22 -11.304 7.225 2.373 1.00 0.30 H new ATOM 0 HB1 ALA A 22 -12.901 7.455 0.501 1.00 0.32 H new ATOM 0 HB2 ALA A 22 -13.400 8.412 1.916 1.00 0.32 H new ATOM 0 HB3 ALA A 22 -12.653 9.217 0.516 1.00 0.32 H new ATOM 375 N ASN A 23 -9.844 8.982 -0.003 1.00 0.27 N ATOM 376 CA ASN A 23 -8.851 8.910 -1.067 1.00 0.27 C ATOM 377 C ASN A 23 -7.507 8.436 -0.525 1.00 0.26 C ATOM 378 O ASN A 23 -6.823 7.627 -1.151 1.00 0.27 O ATOM 379 CB ASN A 23 -8.691 10.275 -1.736 1.00 0.28 C ATOM 380 CG ASN A 23 -9.408 10.385 -3.010 1.00 0.41 C ATOM 381 OD1 ASN A 23 -8.928 10.100 -3.923 1.00 0.77 O ATOM 382 ND2 ASN A 23 -10.562 10.799 -3.076 1.00 0.50 N ATOM 0 H ASN A 23 -10.199 9.921 0.180 1.00 0.27 H new ATOM 0 HA ASN A 23 -9.199 8.189 -1.807 1.00 0.27 H new ATOM 0 HB2 ASN A 23 -9.050 11.049 -1.057 1.00 0.28 H new ATOM 0 HB3 ASN A 23 -7.631 10.467 -1.906 1.00 0.28 H new ATOM 0 HD21 ASN A 23 -11.030 10.862 -3.980 1.00 0.50 H new ATOM 0 HD22 ASN A 23 -11.052 11.080 -2.227 1.00 0.50 H new ATOM 389 N HIS A 24 -7.134 8.946 0.643 1.00 0.26 N ATOM 390 CA HIS A 24 -5.872 8.575 1.271 1.00 0.26 C ATOM 391 C HIS A 24 -5.868 7.098 1.652 1.00 0.27 C ATOM 392 O HIS A 24 -4.863 6.408 1.490 1.00 0.27 O ATOM 393 CB HIS A 24 -5.623 9.434 2.510 1.00 0.28 C ATOM 394 CG HIS A 24 -4.529 9.985 2.649 1.00 0.87 C ATOM 395 ND1 HIS A 24 -4.086 10.413 3.396 1.00 1.49 N ATOM 396 CD2 HIS A 24 -3.788 10.177 2.131 1.00 1.56 C ATOM 397 CE1 HIS A 24 -3.120 10.845 3.331 1.00 2.02 C ATOM 398 NE2 HIS A 24 -2.920 10.713 2.570 1.00 2.08 N ATOM 0 H HIS A 24 -7.688 9.618 1.174 1.00 0.26 H new ATOM 0 HA HIS A 24 -5.072 8.748 0.551 1.00 0.26 H new ATOM 0 HB2 HIS A 24 -6.387 10.211 2.529 1.00 0.28 H new ATOM 0 HB3 HIS A 24 -5.787 8.804 3.384 1.00 0.28 H new ATOM 0 HD2 HIS A 24 -3.766 9.879 1.093 1.00 1.56 H new ATOM 0 HE1 HIS A 24 -2.549 11.340 4.102 1.00 2.02 H new ATOM 0 HE2 HIS A 24 -2.054 10.979 2.101 1.00 2.08 H new ATOM 406 N ALA A 25 -6.998 6.621 2.159 1.00 0.28 N ATOM 407 CA ALA A 25 -7.125 5.227 2.561 1.00 0.30 C ATOM 408 C ALA A 25 -7.002 4.296 1.362 1.00 0.30 C ATOM 409 O ALA A 25 -6.220 3.346 1.379 1.00 0.31 O ATOM 410 CB ALA A 25 -8.449 5.003 3.273 1.00 0.33 C ATOM 0 H ALA A 25 -7.839 7.180 2.301 1.00 0.28 H new ATOM 0 HA ALA A 25 -6.312 4.997 3.249 1.00 0.30 H new ATOM 0 HB1 ALA A 25 -8.531 3.957 3.568 1.00 0.33 H new ATOM 0 HB2 ALA A 25 -8.497 5.635 4.160 1.00 0.33 H new ATOM 0 HB3 ALA A 25 -9.270 5.256 2.602 1.00 0.33 H new ATOM 416 N ILE A 26 -7.781 4.573 0.323 1.00 0.30 N ATOM 417 CA ILE A 26 -7.759 3.760 -0.884 1.00 0.31 C ATOM 418 C ILE A 26 -6.404 3.839 -1.575 1.00 0.31 C ATOM 419 O ILE A 26 -5.954 2.875 -2.192 1.00 0.33 O ATOM 420 CB ILE A 26 -8.853 4.195 -1.875 1.00 0.32 C ATOM 421 CG1 ILE A 26 -8.616 5.634 -2.332 1.00 0.30 C ATOM 422 CG2 ILE A 26 -10.226 4.058 -1.240 1.00 0.35 C ATOM 423 CD1 ILE A 26 -9.652 6.136 -3.310 1.00 0.33 C ATOM 0 H ILE A 26 -8.435 5.355 0.293 1.00 0.30 H new ATOM 0 HA ILE A 26 -7.947 2.732 -0.575 1.00 0.31 H new ATOM 0 HB ILE A 26 -8.810 3.544 -2.748 1.00 0.32 H new ATOM 0 HG12 ILE A 26 -8.606 6.287 -1.459 1.00 0.30 H new ATOM 0 HG13 ILE A 26 -7.630 5.703 -2.792 1.00 0.30 H new ATOM 0 HG21 ILE A 26 -10.989 4.369 -1.953 1.00 0.35 H new ATOM 0 HG22 ILE A 26 -10.395 3.019 -0.959 1.00 0.35 H new ATOM 0 HG23 ILE A 26 -10.281 4.688 -0.352 1.00 0.35 H new ATOM 0 HD11 ILE A 26 -9.420 7.163 -3.590 1.00 0.33 H new ATOM 0 HD12 ILE A 26 -9.647 5.507 -4.200 1.00 0.33 H new ATOM 0 HD13 ILE A 26 -10.638 6.100 -2.846 1.00 0.33 H new ATOM 435 N GLU A 27 -5.757 4.994 -1.466 1.00 0.30 N ATOM 436 CA GLU A 27 -4.452 5.198 -2.080 1.00 0.31 C ATOM 437 C GLU A 27 -3.399 4.310 -1.426 1.00 0.31 C ATOM 438 O GLU A 27 -2.713 3.542 -2.099 1.00 0.33 O ATOM 439 CB GLU A 27 -4.037 6.666 -1.970 1.00 0.31 C ATOM 440 CG GLU A 27 -3.544 7.225 -2.894 1.00 0.93 C ATOM 441 CD GLU A 27 -3.241 7.979 -3.446 1.00 1.29 C ATOM 442 OE1 GLU A 27 -3.250 8.359 -3.663 1.00 1.93 O ATOM 443 OE2 GLU A 27 -2.994 8.189 -3.662 1.00 1.91 O ATOM 0 H GLU A 27 -6.116 5.803 -0.958 1.00 0.30 H new ATOM 0 HA GLU A 27 -4.527 4.927 -3.133 1.00 0.31 H new ATOM 0 HB2 GLU A 27 -4.926 7.231 -1.690 1.00 0.31 H new ATOM 0 HB3 GLU A 27 -3.336 6.740 -1.138 1.00 0.31 H new ATOM 0 HG2 GLU A 27 -2.586 6.706 -2.856 1.00 0.93 H new ATOM 0 HG3 GLU A 27 -4.140 6.738 -3.666 1.00 0.93 H new ATOM 450 N LYS A 28 -3.275 4.420 -0.110 1.00 0.31 N ATOM 451 CA LYS A 28 -2.307 3.627 0.636 1.00 0.32 C ATOM 452 C LYS A 28 -2.573 2.136 0.463 1.00 0.31 C ATOM 453 O LYS A 28 -1.657 1.356 0.220 1.00 0.31 O ATOM 454 CB LYS A 28 -2.354 3.994 2.119 1.00 0.34 C ATOM 455 CG LYS A 28 -1.350 3.270 2.949 1.00 0.45 C ATOM 456 CD LYS A 28 -1.360 3.283 4.139 1.00 0.64 C ATOM 457 CE LYS A 28 -0.844 3.967 4.642 1.00 1.38 C ATOM 458 NZ LYS A 28 -0.705 3.982 5.212 1.00 2.06 N ATOM 0 H LYS A 28 -3.834 5.052 0.464 1.00 0.31 H new ATOM 0 HA LYS A 28 -1.315 3.848 0.243 1.00 0.32 H new ATOM 0 HB2 LYS A 28 -2.193 5.067 2.224 1.00 0.34 H new ATOM 0 HB3 LYS A 28 -3.351 3.783 2.505 1.00 0.34 H new ATOM 0 HG2 LYS A 28 -1.400 2.223 2.651 1.00 0.45 H new ATOM 0 HG3 LYS A 28 -0.372 3.641 2.644 1.00 0.45 H new ATOM 0 HD2 LYS A 28 -2.401 3.373 4.450 1.00 0.64 H new ATOM 0 HD3 LYS A 28 -1.010 2.306 4.474 1.00 0.64 H new ATOM 0 HE2 LYS A 28 0.111 4.033 4.121 1.00 1.38 H new ATOM 0 HE3 LYS A 28 -1.372 4.903 4.460 1.00 1.38 H new ATOM 0 HZ1 LYS A 28 0.325 4.080 5.316 1.00 2.06 H new ATOM 0 HZ2 LYS A 28 -1.177 4.791 5.663 1.00 2.06 H new ATOM 0 HZ3 LYS A 28 -1.016 3.101 5.669 1.00 2.06 H new ATOM 472 N GLY A 29 -3.836 1.747 0.588 1.00 0.32 N ATOM 473 CA GLY A 29 -4.199 0.351 0.440 1.00 0.32 C ATOM 474 C GLY A 29 -3.926 -0.175 -0.954 1.00 0.31 C ATOM 475 O GLY A 29 -3.482 -1.306 -1.119 1.00 0.31 O ATOM 0 H GLY A 29 -4.615 2.374 0.789 1.00 0.32 H new ATOM 0 HA2 GLY A 29 -3.643 -0.244 1.165 1.00 0.32 H new ATOM 0 HA3 GLY A 29 -5.257 0.228 0.671 1.00 0.32 H new ATOM 479 N GLU A 30 -4.193 0.646 -1.958 1.00 0.34 N ATOM 480 CA GLU A 30 -3.974 0.255 -3.343 1.00 0.36 C ATOM 481 C GLU A 30 -2.489 0.053 -3.624 1.00 0.37 C ATOM 482 O GLU A 30 -2.099 -0.885 -4.314 1.00 0.40 O ATOM 483 CB GLU A 30 -4.544 1.312 -4.289 1.00 0.37 C ATOM 484 CG GLU A 30 -4.567 1.029 -5.576 1.00 0.76 C ATOM 485 CD GLU A 30 -4.539 1.727 -6.452 1.00 1.12 C ATOM 486 OE1 GLU A 30 -4.543 1.994 -6.549 1.00 1.93 O ATOM 487 OE2 GLU A 30 -4.512 2.008 -7.042 1.00 1.67 O ATOM 0 H GLU A 30 -4.562 1.589 -1.840 1.00 0.34 H new ATOM 0 HA GLU A 30 -4.489 -0.691 -3.513 1.00 0.36 H new ATOM 0 HB2 GLU A 30 -5.565 1.529 -3.974 1.00 0.37 H new ATOM 0 HB3 GLU A 30 -3.968 2.228 -4.156 1.00 0.37 H new ATOM 0 HG2 GLU A 30 -3.724 0.355 -5.729 1.00 0.76 H new ATOM 0 HG3 GLU A 30 -5.474 0.441 -5.716 1.00 0.76 H new ATOM 494 N HIS A 31 -1.665 0.941 -3.084 1.00 0.37 N ATOM 495 CA HIS A 31 -0.223 0.861 -3.276 1.00 0.39 C ATOM 496 C HIS A 31 0.346 -0.384 -2.604 1.00 0.39 C ATOM 497 O HIS A 31 1.054 -1.169 -3.230 1.00 0.39 O ATOM 498 CB HIS A 31 0.455 2.111 -2.719 1.00 0.42 C ATOM 499 CG HIS A 31 1.524 2.448 -3.130 1.00 0.85 C ATOM 500 ND1 HIS A 31 2.249 2.699 -2.353 1.00 1.48 N ATOM 501 CD2 HIS A 31 1.990 2.572 -4.244 1.00 1.17 C ATOM 502 CE1 HIS A 31 3.114 2.965 -2.971 1.00 2.02 C ATOM 503 NE2 HIS A 31 2.978 2.895 -4.122 1.00 1.84 N ATOM 0 H HIS A 31 -1.971 1.726 -2.509 1.00 0.37 H new ATOM 0 HA HIS A 31 -0.026 0.796 -4.346 1.00 0.39 H new ATOM 0 HB2 HIS A 31 -0.229 2.946 -2.874 1.00 0.42 H new ATOM 0 HB3 HIS A 31 0.551 1.974 -1.642 1.00 0.42 H new ATOM 0 HD2 HIS A 31 1.483 2.385 -5.179 1.00 1.17 H new ATOM 0 HE1 HIS A 31 4.049 3.278 -2.530 1.00 2.02 H new ATOM 0 HE2 HIS A 31 3.664 3.101 -4.848 1.00 1.84 H new ATOM 511 N GLN A 32 0.032 -0.554 -1.327 1.00 0.40 N ATOM 512 CA GLN A 32 0.514 -1.703 -0.570 1.00 0.41 C ATOM 513 C GLN A 32 0.014 -3.006 -1.180 1.00 0.38 C ATOM 514 O GLN A 32 0.719 -4.010 -1.187 1.00 0.41 O ATOM 515 CB GLN A 32 0.066 -1.602 0.886 1.00 0.45 C ATOM 516 CG GLN A 32 -1.064 -1.472 1.211 1.00 0.62 C ATOM 517 CD GLN A 32 -1.281 -2.496 1.753 1.00 1.30 C ATOM 518 OE1 GLN A 32 -1.831 -2.574 1.579 1.00 2.22 O ATOM 519 NE2 GLN A 32 -0.850 -3.288 2.413 1.00 1.24 N ATOM 0 H GLN A 32 -0.554 0.088 -0.793 1.00 0.40 H new ATOM 0 HA GLN A 32 1.603 -1.702 -0.609 1.00 0.41 H new ATOM 0 HB2 GLN A 32 0.427 -2.503 1.382 1.00 0.45 H new ATOM 0 HB3 GLN A 32 0.609 -0.761 1.317 1.00 0.45 H new ATOM 0 HG2 GLN A 32 -1.202 -0.620 1.877 1.00 0.62 H new ATOM 0 HG3 GLN A 32 -1.720 -1.316 0.354 1.00 0.62 H new ATOM 0 HE21 GLN A 32 0.109 -3.205 2.749 1.00 1.24 H new ATOM 0 HE22 GLN A 32 -1.416 -4.094 2.679 1.00 1.24 H new ATOM 528 N LEU A 33 -1.207 -2.983 -1.689 1.00 0.35 N ATOM 529 CA LEU A 33 -1.803 -4.164 -2.301 1.00 0.34 C ATOM 530 C LEU A 33 -1.072 -4.540 -3.582 1.00 0.31 C ATOM 531 O LEU A 33 -0.698 -5.695 -3.780 1.00 0.31 O ATOM 532 CB LEU A 33 -3.280 -3.915 -2.597 1.00 0.35 C ATOM 533 CG LEU A 33 -4.027 -5.059 -3.279 1.00 0.35 C ATOM 534 CD1 LEU A 33 -3.842 -4.993 -4.783 1.00 0.33 C ATOM 535 CD2 LEU A 33 -3.555 -6.399 -2.741 1.00 0.35 C ATOM 0 H LEU A 33 -1.808 -2.159 -1.691 1.00 0.35 H new ATOM 0 HA LEU A 33 -1.714 -4.993 -1.599 1.00 0.34 H new ATOM 0 HB2 LEU A 33 -3.785 -3.686 -1.658 1.00 0.35 H new ATOM 0 HB3 LEU A 33 -3.360 -3.029 -3.226 1.00 0.35 H new ATOM 0 HG LEU A 33 -5.090 -4.956 -3.059 1.00 0.35 H new ATOM 0 HD11 LEU A 33 -4.381 -5.816 -5.252 1.00 0.33 H new ATOM 0 HD12 LEU A 33 -4.230 -4.045 -5.156 1.00 0.33 H new ATOM 0 HD13 LEU A 33 -2.782 -5.070 -5.023 1.00 0.33 H new ATOM 0 HD21 LEU A 33 -4.098 -7.203 -3.238 1.00 0.35 H new ATOM 0 HD22 LEU A 33 -2.487 -6.511 -2.930 1.00 0.35 H new ATOM 0 HD23 LEU A 33 -3.740 -6.446 -1.668 1.00 0.35 H new ATOM 547 N LEU A 34 -0.871 -3.558 -4.449 1.00 0.32 N ATOM 548 CA LEU A 34 -0.182 -3.785 -5.712 1.00 0.33 C ATOM 549 C LEU A 34 1.219 -4.330 -5.479 1.00 0.32 C ATOM 550 O LEU A 34 1.664 -5.241 -6.170 1.00 0.32 O ATOM 551 CB LEU A 34 -0.109 -2.489 -6.515 1.00 0.37 C ATOM 552 CG LEU A 34 -1.071 -1.923 -7.024 1.00 0.70 C ATOM 553 CD1 LEU A 34 -0.746 -0.739 -7.534 1.00 1.04 C ATOM 554 CD2 LEU A 34 -1.471 -2.512 -8.048 1.00 1.01 C ATOM 0 H LEU A 34 -1.175 -2.596 -4.301 1.00 0.32 H new ATOM 0 HA LEU A 34 -0.749 -4.525 -6.277 1.00 0.33 H new ATOM 0 HB2 LEU A 34 0.357 -1.755 -5.858 1.00 0.37 H new ATOM 0 HB3 LEU A 34 0.592 -2.679 -7.328 1.00 0.37 H new ATOM 0 HG LEU A 34 -1.798 -1.879 -6.213 1.00 0.70 H new ATOM 0 HD11 LEU A 34 -1.630 -0.277 -7.973 1.00 1.04 H new ATOM 0 HD12 LEU A 34 -0.356 -0.097 -6.744 1.00 1.04 H new ATOM 0 HD13 LEU A 34 0.015 -0.871 -8.304 1.00 1.04 H new ATOM 0 HD21 LEU A 34 -2.324 -1.977 -8.466 1.00 1.01 H new ATOM 0 HD22 LEU A 34 -0.668 -2.547 -8.784 1.00 1.01 H new ATOM 0 HD23 LEU A 34 -1.771 -3.527 -7.790 1.00 1.01 H new ATOM 566 N TYR A 35 1.910 -3.768 -4.499 1.00 0.35 N ATOM 567 CA TYR A 35 3.261 -4.198 -4.175 1.00 0.38 C ATOM 568 C TYR A 35 3.255 -5.572 -3.515 1.00 0.34 C ATOM 569 O TYR A 35 4.124 -6.401 -3.773 1.00 0.32 O ATOM 570 CB TYR A 35 3.930 -3.184 -3.253 1.00 0.45 C ATOM 571 CG TYR A 35 5.244 -3.652 -2.692 1.00 0.50 C ATOM 572 CD1 TYR A 35 5.834 -3.956 -2.334 1.00 1.08 C ATOM 573 CD2 TYR A 35 5.894 -3.792 -2.519 1.00 1.40 C ATOM 574 CE1 TYR A 35 7.034 -4.384 -1.820 1.00 1.07 C ATOM 575 CE2 TYR A 35 7.095 -4.220 -2.007 1.00 1.46 C ATOM 576 CZ TYR A 35 7.660 -4.515 -1.659 1.00 0.66 C ATOM 577 OH TYR A 35 8.856 -4.941 -1.147 1.00 0.75 O ATOM 0 H TYR A 35 1.556 -3.012 -3.913 1.00 0.35 H new ATOM 0 HA TYR A 35 3.825 -4.266 -5.105 1.00 0.38 H new ATOM 0 HB2 TYR A 35 4.089 -2.256 -3.803 1.00 0.45 H new ATOM 0 HB3 TYR A 35 3.254 -2.954 -2.429 1.00 0.45 H new ATOM 0 HD1 TYR A 35 5.233 -4.560 -1.670 1.00 1.08 H new ATOM 0 HD2 TYR A 35 6.333 -3.135 -3.256 1.00 1.40 H new ATOM 0 HE1 TYR A 35 6.599 -5.032 -1.074 1.00 1.07 H new ATOM 0 HE2 TYR A 35 7.699 -3.625 -2.676 1.00 1.46 H new ATOM 0 HH TYR A 35 9.591 -4.514 -1.635 1.00 0.75 H new ATOM 587 N LEU A 36 2.268 -5.805 -2.663 1.00 0.36 N ATOM 588 CA LEU A 36 2.146 -7.079 -1.966 1.00 0.35 C ATOM 589 C LEU A 36 1.816 -8.204 -2.939 1.00 0.32 C ATOM 590 O LEU A 36 2.189 -9.355 -2.720 1.00 0.31 O ATOM 591 CB LEU A 36 1.068 -6.989 -0.889 1.00 0.40 C ATOM 592 CG LEU A 36 1.138 -7.359 0.191 1.00 0.97 C ATOM 593 CD1 LEU A 36 0.861 -7.422 0.774 1.00 1.73 C ATOM 594 CD2 LEU A 36 1.166 -7.759 0.712 1.00 1.68 C ATOM 0 H LEU A 36 1.539 -5.129 -2.437 1.00 0.36 H new ATOM 0 HA LEU A 36 3.104 -7.301 -1.496 1.00 0.35 H new ATOM 0 HB2 LEU A 36 0.821 -5.930 -0.816 1.00 0.40 H new ATOM 0 HB3 LEU A 36 0.197 -7.491 -1.310 1.00 0.40 H new ATOM 0 HG LEU A 36 1.649 -6.921 -0.666 1.00 0.97 H new ATOM 0 HD11 LEU A 36 1.547 -7.933 1.450 1.00 1.73 H new ATOM 0 HD12 LEU A 36 0.625 -6.436 1.173 1.00 1.73 H new ATOM 0 HD13 LEU A 36 -0.056 -8.004 0.680 1.00 1.73 H new ATOM 0 HD21 LEU A 36 1.249 -7.165 1.622 1.00 1.68 H new ATOM 0 HD22 LEU A 36 0.261 -8.365 0.755 1.00 1.68 H new ATOM 0 HD23 LEU A 36 2.035 -8.411 0.624 1.00 1.68 H new ATOM 606 N GLN A 37 1.117 -7.861 -4.013 1.00 0.32 N ATOM 607 CA GLN A 37 0.738 -8.842 -5.020 1.00 0.31 C ATOM 608 C GLN A 37 1.948 -9.646 -5.480 1.00 0.28 C ATOM 609 O GLN A 37 1.852 -10.848 -5.722 1.00 0.28 O ATOM 610 CB GLN A 37 0.087 -8.149 -6.216 1.00 0.33 C ATOM 611 CG GLN A 37 -1.139 -8.702 -6.654 1.00 0.57 C ATOM 612 CD GLN A 37 -2.065 -8.496 -6.686 1.00 1.13 C ATOM 613 OE1 GLN A 37 -1.903 -8.789 -7.092 1.00 2.16 O ATOM 614 NE2 GLN A 37 -3.044 -7.987 -6.258 1.00 1.02 N ATOM 0 H GLN A 37 0.801 -6.911 -4.209 1.00 0.32 H new ATOM 0 HA GLN A 37 0.020 -9.528 -4.571 1.00 0.31 H new ATOM 0 HB2 GLN A 37 -0.079 -7.103 -5.960 1.00 0.33 H new ATOM 0 HB3 GLN A 37 0.790 -8.166 -7.049 1.00 0.33 H new ATOM 0 HG2 GLN A 37 -0.924 -8.909 -7.702 1.00 0.57 H new ATOM 0 HG3 GLN A 37 -1.145 -9.660 -6.135 1.00 0.57 H new ATOM 0 HE21 GLN A 37 -3.004 -7.455 -5.388 1.00 1.02 H new ATOM 0 HE22 GLN A 37 -3.928 -8.080 -6.759 1.00 1.02 H new ATOM 623 N HIS A 38 3.087 -8.974 -5.597 1.00 0.28 N ATOM 624 CA HIS A 38 4.317 -9.627 -6.028 1.00 0.27 C ATOM 625 C HIS A 38 4.737 -10.706 -5.035 1.00 0.25 C ATOM 626 O HIS A 38 4.952 -11.857 -5.411 1.00 0.25 O ATOM 627 CB HIS A 38 5.436 -8.598 -6.183 1.00 0.28 C ATOM 628 CG HIS A 38 5.956 -8.459 -7.401 1.00 0.78 C ATOM 629 ND1 HIS A 38 5.749 -8.491 -8.187 1.00 1.43 N ATOM 630 CD2 HIS A 38 6.678 -8.287 -7.967 1.00 1.25 C ATOM 631 CE1 HIS A 38 6.322 -8.344 -9.183 1.00 1.80 C ATOM 632 NE2 HIS A 38 6.892 -8.218 -9.073 1.00 1.71 N ATOM 0 H HIS A 38 3.184 -7.978 -5.400 1.00 0.28 H new ATOM 0 HA HIS A 38 4.130 -10.099 -6.992 1.00 0.27 H new ATOM 0 HB2 HIS A 38 5.053 -7.629 -5.864 1.00 0.28 H new ATOM 0 HB3 HIS A 38 6.241 -8.865 -5.498 1.00 0.28 H new ATOM 0 HD2 HIS A 38 7.574 -8.098 -7.394 1.00 1.25 H new ATOM 0 HE1 HIS A 38 5.884 -8.424 -10.167 1.00 1.80 H new ATOM 0 HE2 HIS A 38 7.715 -8.022 -9.642 1.00 1.71 H new ATOM 640 N GLN A 39 4.850 -10.324 -3.769 1.00 0.25 N ATOM 641 CA GLN A 39 5.245 -11.259 -2.723 1.00 0.25 C ATOM 642 C GLN A 39 4.322 -12.472 -2.701 1.00 0.25 C ATOM 643 O GLN A 39 4.772 -13.605 -2.530 1.00 0.24 O ATOM 644 CB GLN A 39 5.231 -10.568 -1.361 1.00 0.27 C ATOM 645 CG GLN A 39 6.140 -9.361 -1.283 1.00 0.29 C ATOM 646 CD GLN A 39 7.496 -9.662 -1.388 1.00 0.58 C ATOM 647 OE1 GLN A 39 7.986 -10.003 -1.825 1.00 1.19 O ATOM 648 NE2 GLN A 39 8.111 -9.537 -0.986 1.00 1.31 N ATOM 0 H GLN A 39 4.674 -9.374 -3.442 1.00 0.25 H new ATOM 0 HA GLN A 39 6.258 -11.600 -2.939 1.00 0.25 H new ATOM 0 HB2 GLN A 39 4.211 -10.260 -1.130 1.00 0.27 H new ATOM 0 HB3 GLN A 39 5.528 -11.286 -0.596 1.00 0.27 H new ATOM 0 HG2 GLN A 39 5.871 -8.665 -2.078 1.00 0.29 H new ATOM 0 HG3 GLN A 39 5.965 -8.848 -0.337 1.00 0.29 H new ATOM 0 HE21 GLN A 39 8.051 -9.017 -0.111 1.00 1.31 H new ATOM 0 HE22 GLN A 39 9.013 -9.886 -1.311 1.00 1.31 H new ATOM 657 N LEU A 40 3.030 -12.227 -2.873 1.00 0.27 N ATOM 658 CA LEU A 40 2.043 -13.299 -2.871 1.00 0.29 C ATOM 659 C LEU A 40 2.280 -14.259 -4.030 1.00 0.28 C ATOM 660 O LEU A 40 2.328 -15.473 -3.842 1.00 0.29 O ATOM 661 CB LEU A 40 0.633 -12.719 -2.957 1.00 0.33 C ATOM 662 CG LEU A 40 -0.476 -13.678 -3.085 1.00 0.51 C ATOM 663 CD1 LEU A 40 -1.009 -14.126 -3.024 1.00 1.22 C ATOM 664 CD2 LEU A 40 -0.841 -13.870 -3.193 1.00 1.62 C ATOM 0 H LEU A 40 2.641 -11.295 -3.016 1.00 0.27 H new ATOM 0 HA LEU A 40 2.146 -13.852 -1.938 1.00 0.29 H new ATOM 0 HB2 LEU A 40 0.459 -12.117 -2.065 1.00 0.33 H new ATOM 0 HB3 LEU A 40 0.596 -12.042 -3.811 1.00 0.33 H new ATOM 0 HG LEU A 40 0.492 -13.186 -2.996 1.00 0.51 H new ATOM 0 HD11 LEU A 40 -1.302 -14.480 -4.013 1.00 1.22 H new ATOM 0 HD12 LEU A 40 -0.703 -14.974 -2.411 1.00 1.22 H new ATOM 0 HD13 LEU A 40 -1.854 -13.624 -2.553 1.00 1.22 H new ATOM 0 HD21 LEU A 40 -0.898 -14.844 -2.707 1.00 1.62 H new ATOM 0 HD22 LEU A 40 -1.683 -13.256 -2.874 1.00 1.62 H new ATOM 0 HD23 LEU A 40 -0.877 -14.002 -4.274 1.00 1.62 H new ATOM 676 N ASP A 41 2.429 -13.707 -5.225 1.00 0.29 N ATOM 677 CA ASP A 41 2.665 -14.514 -6.414 1.00 0.30 C ATOM 678 C ASP A 41 3.878 -15.416 -6.227 1.00 0.30 C ATOM 679 O ASP A 41 3.841 -16.597 -6.562 1.00 0.32 O ATOM 680 CB ASP A 41 2.866 -13.616 -7.633 1.00 0.32 C ATOM 681 CG ASP A 41 2.568 -14.180 -8.821 1.00 0.65 C ATOM 682 OD1 ASP A 41 2.353 -14.394 -9.308 1.00 1.31 O ATOM 683 OD2 ASP A 41 2.550 -14.408 -9.264 1.00 1.47 O ATOM 0 H ASP A 41 2.391 -12.702 -5.398 1.00 0.29 H new ATOM 0 HA ASP A 41 1.789 -15.143 -6.575 1.00 0.30 H new ATOM 0 HB2 ASP A 41 2.254 -12.723 -7.510 1.00 0.32 H new ATOM 0 HB3 ASP A 41 3.906 -13.289 -7.655 1.00 0.32 H new ATOM 688 N GLU A 42 4.951 -14.851 -5.691 1.00 0.30 N ATOM 689 CA GLU A 42 6.175 -15.605 -5.462 1.00 0.31 C ATOM 690 C GLU A 42 6.006 -16.583 -4.305 1.00 0.27 C ATOM 691 O GLU A 42 6.610 -17.655 -4.289 1.00 0.26 O ATOM 692 CB GLU A 42 7.336 -14.656 -5.174 1.00 0.35 C ATOM 693 CG GLU A 42 7.992 -14.685 -4.283 1.00 0.91 C ATOM 694 CD GLU A 42 9.111 -14.364 -4.478 1.00 1.42 C ATOM 695 OE1 GLU A 42 9.526 -14.027 -4.581 1.00 1.99 O ATOM 696 OE2 GLU A 42 9.572 -14.450 -4.528 1.00 1.98 O ATOM 0 H GLU A 42 4.998 -13.873 -5.407 1.00 0.30 H new ATOM 0 HA GLU A 42 6.394 -16.174 -6.365 1.00 0.31 H new ATOM 0 HB2 GLU A 42 8.002 -14.736 -6.033 1.00 0.35 H new ATOM 0 HB3 GLU A 42 6.909 -13.653 -5.193 1.00 0.35 H new ATOM 0 HG2 GLU A 42 7.570 -14.033 -3.518 1.00 0.91 H new ATOM 0 HG3 GLU A 42 7.985 -15.697 -3.878 1.00 0.91 H new ATOM 703 N LEU A 43 5.180 -16.207 -3.338 1.00 0.27 N ATOM 704 CA LEU A 43 4.930 -17.049 -2.175 1.00 0.25 C ATOM 705 C LEU A 43 4.131 -18.287 -2.562 1.00 0.24 C ATOM 706 O LEU A 43 4.286 -19.349 -1.963 1.00 0.23 O ATOM 707 CB LEU A 43 4.181 -16.261 -1.102 1.00 0.29 C ATOM 708 CG LEU A 43 3.708 -17.045 0.093 1.00 0.45 C ATOM 709 CD1 LEU A 43 3.597 -17.058 0.840 1.00 1.12 C ATOM 710 CD2 LEU A 43 3.226 -17.288 0.226 1.00 1.69 C ATOM 0 H LEU A 43 4.671 -15.323 -3.336 1.00 0.27 H new ATOM 0 HA LEU A 43 5.892 -17.370 -1.776 1.00 0.25 H new ATOM 0 HB2 LEU A 43 4.831 -15.460 -0.750 1.00 0.29 H new ATOM 0 HB3 LEU A 43 3.315 -15.789 -1.566 1.00 0.29 H new ATOM 0 HG LEU A 43 4.631 -17.133 -0.480 1.00 0.45 H new ATOM 0 HD11 LEU A 43 3.182 -18.024 1.129 1.00 1.12 H new ATOM 0 HD12 LEU A 43 4.547 -16.903 1.352 1.00 1.12 H new ATOM 0 HD13 LEU A 43 2.902 -16.266 1.118 1.00 1.12 H new ATOM 0 HD21 LEU A 43 3.314 -17.758 1.205 1.00 1.69 H new ATOM 0 HD22 LEU A 43 2.436 -16.538 0.253 1.00 1.69 H new ATOM 0 HD23 LEU A 43 2.982 -18.045 -0.519 1.00 1.69 H new ATOM 722 N ASN A 44 3.278 -18.143 -3.569 1.00 0.28 N ATOM 723 CA ASN A 44 2.456 -19.250 -4.037 1.00 0.30 C ATOM 724 C ASN A 44 3.318 -20.453 -4.398 1.00 0.29 C ATOM 725 O ASN A 44 2.992 -21.587 -4.055 1.00 0.30 O ATOM 726 CB ASN A 44 1.629 -18.821 -5.247 1.00 0.37 C ATOM 727 CG ASN A 44 0.443 -18.092 -4.914 1.00 0.51 C ATOM 728 OD1 ASN A 44 -0.048 -18.058 -4.957 1.00 1.43 O ATOM 729 ND2 ASN A 44 -0.023 -17.506 -4.580 1.00 0.98 N ATOM 0 H ASN A 44 3.138 -17.270 -4.077 1.00 0.28 H new ATOM 0 HA ASN A 44 1.784 -19.537 -3.229 1.00 0.30 H new ATOM 0 HB2 ASN A 44 2.250 -18.206 -5.899 1.00 0.37 H new ATOM 0 HB3 ASN A 44 1.350 -19.708 -5.816 1.00 0.37 H new ATOM 0 HD21 ASN A 44 -1.033 -17.515 -4.722 1.00 0.98 H new ATOM 0 HD22 ASN A 44 0.407 -16.768 -4.023 1.00 0.98 H new ATOM 736 N GLU A 45 4.419 -20.197 -5.091 1.00 0.30 N ATOM 737 CA GLU A 45 5.327 -21.260 -5.499 1.00 0.31 C ATOM 738 C GLU A 45 6.393 -21.501 -4.438 1.00 0.28 C ATOM 739 O GLU A 45 6.668 -22.639 -4.067 1.00 0.30 O ATOM 740 CB GLU A 45 5.989 -20.911 -6.831 1.00 0.36 C ATOM 741 CG GLU A 45 5.927 -21.468 -7.710 1.00 1.15 C ATOM 742 CD GLU A 45 6.138 -21.612 -8.591 1.00 1.70 C ATOM 743 OE1 GLU A 45 6.277 -21.382 -8.910 1.00 2.35 O ATOM 744 OE2 GLU A 45 6.164 -21.954 -8.962 1.00 2.22 O ATOM 0 H GLU A 45 4.705 -19.262 -5.382 1.00 0.30 H new ATOM 0 HA GLU A 45 4.745 -22.174 -5.619 1.00 0.31 H new ATOM 0 HB2 GLU A 45 5.628 -19.915 -7.087 1.00 0.36 H new ATOM 0 HB3 GLU A 45 7.053 -20.818 -6.616 1.00 0.36 H new ATOM 0 HG2 GLU A 45 6.246 -22.431 -7.311 1.00 1.15 H new ATOM 0 HG3 GLU A 45 4.841 -21.504 -7.799 1.00 1.15 H new ATOM 751 N ASN A 46 6.991 -20.420 -3.954 1.00 0.28 N ATOM 752 CA ASN A 46 8.028 -20.513 -2.936 1.00 0.28 C ATOM 753 C ASN A 46 7.534 -21.293 -1.725 1.00 0.25 C ATOM 754 O ASN A 46 8.290 -22.035 -1.100 1.00 0.27 O ATOM 755 CB ASN A 46 8.476 -19.117 -2.508 1.00 0.29 C ATOM 756 CG ASN A 46 9.592 -18.895 -2.334 1.00 0.96 C ATOM 757 OD1 ASN A 46 9.989 -19.722 -2.536 1.00 1.67 O ATOM 758 ND2 ASN A 46 10.103 -17.774 -1.957 1.00 1.02 N ATOM 0 H ASN A 46 6.775 -19.468 -4.251 1.00 0.28 H new ATOM 0 HA ASN A 46 8.877 -21.045 -3.366 1.00 0.28 H new ATOM 0 HB2 ASN A 46 8.122 -18.418 -3.265 1.00 0.29 H new ATOM 0 HB3 ASN A 46 7.951 -18.879 -1.583 1.00 0.29 H new ATOM 0 HD21 ASN A 46 11.112 -17.689 -1.833 1.00 1.02 H new ATOM 0 HD22 ASN A 46 9.499 -16.971 -1.782 1.00 1.02 H new ATOM 765 N LYS A 47 6.259 -21.121 -1.398 1.00 0.23 N ATOM 766 CA LYS A 47 5.661 -21.810 -0.263 1.00 0.23 C ATOM 767 C LYS A 47 6.510 -21.633 0.989 1.00 0.25 C ATOM 768 O LYS A 47 6.597 -22.532 1.821 1.00 0.28 O ATOM 769 CB LYS A 47 5.496 -23.297 -0.573 1.00 0.24 C ATOM 770 CG LYS A 47 4.545 -23.637 -1.496 1.00 0.53 C ATOM 771 CD LYS A 47 3.126 -23.521 -1.312 1.00 0.32 C ATOM 772 CE LYS A 47 2.415 -24.399 -2.247 1.00 0.42 C ATOM 773 NZ LYS A 47 2.362 -25.269 -2.435 1.00 1.07 N ATOM 0 H LYS A 47 5.619 -20.509 -1.904 1.00 0.23 H new ATOM 0 HA LYS A 47 4.680 -21.372 -0.080 1.00 0.23 H new ATOM 0 HB2 LYS A 47 6.456 -23.679 -0.919 1.00 0.24 H new ATOM 0 HB3 LYS A 47 5.264 -23.814 0.358 1.00 0.24 H new ATOM 0 HG2 LYS A 47 4.777 -23.057 -2.389 1.00 0.53 H new ATOM 0 HG3 LYS A 47 4.728 -24.684 -1.739 1.00 0.53 H new ATOM 0 HD2 LYS A 47 2.863 -23.782 -0.287 1.00 0.32 H new ATOM 0 HD3 LYS A 47 2.816 -22.487 -1.467 1.00 0.32 H new ATOM 0 HE2 LYS A 47 1.373 -24.140 -2.059 1.00 0.42 H new ATOM 0 HE3 LYS A 47 2.681 -23.970 -3.213 1.00 0.42 H new ATOM 0 HZ1 LYS A 47 2.450 -25.408 -3.462 1.00 1.07 H new ATOM 0 HZ2 LYS A 47 3.129 -25.776 -1.949 1.00 1.07 H new ATOM 0 HZ3 LYS A 47 1.445 -25.638 -2.113 1.00 1.07 H new ATOM 787 N SER A 48 7.132 -20.469 1.116 1.00 0.26 N ATOM 788 CA SER A 48 7.976 -20.175 2.266 1.00 0.31 C ATOM 789 C SER A 48 7.132 -19.920 3.509 1.00 0.28 C ATOM 790 O SER A 48 6.262 -19.058 3.517 1.00 0.28 O ATOM 791 CB SER A 48 8.859 -18.963 1.979 1.00 0.35 C ATOM 792 OG SER A 48 9.692 -18.846 2.493 1.00 1.10 O ATOM 0 H SER A 48 7.068 -19.712 0.436 1.00 0.26 H new ATOM 0 HA SER A 48 8.610 -21.042 2.451 1.00 0.31 H new ATOM 0 HB2 SER A 48 9.126 -18.993 0.923 1.00 0.35 H new ATOM 0 HB3 SER A 48 8.252 -18.070 2.129 1.00 0.35 H new ATOM 0 HG SER A 48 10.147 -18.030 2.197 1.00 1.10 H new ATOM 798 N LYS A 49 7.397 -20.676 4.560 1.00 0.34 N ATOM 799 CA LYS A 49 6.665 -20.532 5.811 1.00 0.35 C ATOM 800 C LYS A 49 6.842 -19.134 6.389 1.00 0.33 C ATOM 801 O LYS A 49 5.891 -18.534 6.884 1.00 0.34 O ATOM 802 CB LYS A 49 7.137 -21.575 6.822 1.00 0.42 C ATOM 803 CG LYS A 49 8.640 -21.613 6.999 1.00 0.47 C ATOM 804 CD LYS A 49 9.194 -22.882 6.954 1.00 0.64 C ATOM 805 CE LYS A 49 10.561 -22.900 6.326 1.00 0.67 C ATOM 806 NZ LYS A 49 11.103 -23.815 6.138 1.00 1.25 N ATOM 0 H LYS A 49 8.116 -21.399 4.574 1.00 0.34 H new ATOM 0 HA LYS A 49 5.606 -20.687 5.603 1.00 0.35 H new ATOM 0 HB2 LYS A 49 6.671 -21.371 7.786 1.00 0.42 H new ATOM 0 HB3 LYS A 49 6.792 -22.559 6.504 1.00 0.42 H new ATOM 0 HG2 LYS A 49 9.100 -21.002 6.222 1.00 0.47 H new ATOM 0 HG3 LYS A 49 8.892 -21.155 7.955 1.00 0.47 H new ATOM 0 HD2 LYS A 49 9.259 -23.281 7.966 1.00 0.64 H new ATOM 0 HD3 LYS A 49 8.533 -23.542 6.393 1.00 0.64 H new ATOM 0 HE2 LYS A 49 10.470 -22.390 5.367 1.00 0.67 H new ATOM 0 HE3 LYS A 49 11.201 -22.283 6.956 1.00 0.67 H new ATOM 0 HZ1 LYS A 49 12.020 -23.592 5.701 1.00 1.25 H new ATOM 0 HZ2 LYS A 49 11.260 -24.316 7.036 1.00 1.25 H new ATOM 0 HZ3 LYS A 49 10.552 -24.419 5.496 1.00 1.25 H new ATOM 820 N GLU A 50 8.063 -18.620 6.323 1.00 0.34 N ATOM 821 CA GLU A 50 8.363 -17.291 6.840 1.00 0.34 C ATOM 822 C GLU A 50 7.678 -16.216 6.004 1.00 0.31 C ATOM 823 O GLU A 50 7.031 -15.317 6.538 1.00 0.32 O ATOM 824 CB GLU A 50 9.871 -17.055 6.855 1.00 0.38 C ATOM 825 CG GLU A 50 10.601 -17.595 6.944 1.00 1.18 C ATOM 826 CD GLU A 50 11.706 -17.455 7.266 1.00 1.48 C ATOM 827 OE1 GLU A 50 12.219 -17.345 7.275 1.00 1.92 O ATOM 828 OE2 GLU A 50 12.058 -17.455 7.508 1.00 2.08 O ATOM 0 H GLU A 50 8.863 -19.104 5.916 1.00 0.34 H new ATOM 0 HA GLU A 50 7.983 -17.231 7.860 1.00 0.34 H new ATOM 0 HB2 GLU A 50 10.054 -16.539 5.912 1.00 0.38 H new ATOM 0 HB3 GLU A 50 10.003 -16.322 7.651 1.00 0.38 H new ATOM 0 HG2 GLU A 50 10.247 -18.373 7.620 1.00 1.18 H new ATOM 0 HG3 GLU A 50 10.691 -18.048 5.957 1.00 1.18 H new ATOM 835 N LEU A 51 7.826 -16.313 4.691 1.00 0.29 N ATOM 836 CA LEU A 51 7.223 -15.350 3.781 1.00 0.28 C ATOM 837 C LEU A 51 5.711 -15.312 3.952 1.00 0.27 C ATOM 838 O LEU A 51 5.096 -14.251 3.874 1.00 0.28 O ATOM 839 CB LEU A 51 7.574 -15.696 2.335 1.00 0.31 C ATOM 840 CG LEU A 51 7.124 -14.701 1.276 1.00 0.33 C ATOM 841 CD1 LEU A 51 7.623 -13.319 1.611 1.00 0.44 C ATOM 842 CD2 LEU A 51 7.599 -15.122 -0.101 1.00 0.36 C ATOM 0 H LEU A 51 8.360 -17.051 4.231 1.00 0.29 H new ATOM 0 HA LEU A 51 7.622 -14.364 4.020 1.00 0.28 H new ATOM 0 HB2 LEU A 51 8.656 -15.807 2.263 1.00 0.31 H new ATOM 0 HB3 LEU A 51 7.138 -16.667 2.100 1.00 0.31 H new ATOM 0 HG LEU A 51 6.034 -14.684 1.264 1.00 0.33 H new ATOM 0 HD11 LEU A 51 7.293 -12.617 0.845 1.00 0.44 H new ATOM 0 HD12 LEU A 51 7.225 -13.013 2.578 1.00 0.44 H new ATOM 0 HD13 LEU A 51 8.712 -13.326 1.653 1.00 0.44 H new ATOM 0 HD21 LEU A 51 7.264 -14.394 -0.840 1.00 0.36 H new ATOM 0 HD22 LEU A 51 8.688 -15.174 -0.110 1.00 0.36 H new ATOM 0 HD23 LEU A 51 7.187 -16.101 -0.344 1.00 0.36 H new ATOM 854 N GLN A 52 5.119 -16.477 4.187 1.00 0.28 N ATOM 855 CA GLN A 52 3.679 -16.576 4.370 1.00 0.30 C ATOM 856 C GLN A 52 3.251 -15.936 5.683 1.00 0.30 C ATOM 857 O GLN A 52 2.371 -15.089 5.711 1.00 0.32 O ATOM 858 CB GLN A 52 3.241 -18.037 4.337 1.00 0.35 C ATOM 859 CG GLN A 52 2.029 -18.329 4.704 1.00 0.75 C ATOM 860 CD GLN A 52 1.454 -18.994 5.373 1.00 0.90 C ATOM 861 OE1 GLN A 52 1.390 -19.007 5.611 1.00 1.71 O ATOM 862 NE2 GLN A 52 1.031 -19.551 5.681 1.00 1.43 N ATOM 0 H GLN A 52 5.615 -17.365 4.255 1.00 0.28 H new ATOM 0 HA GLN A 52 3.197 -16.040 3.552 1.00 0.30 H new ATOM 0 HB2 GLN A 52 3.376 -18.401 3.318 1.00 0.35 H new ATOM 0 HB3 GLN A 52 3.925 -18.602 4.970 1.00 0.35 H new ATOM 0 HG2 GLN A 52 1.664 -17.351 5.017 1.00 0.75 H new ATOM 0 HG3 GLN A 52 1.566 -18.549 3.742 1.00 0.75 H new ATOM 0 HE21 GLN A 52 0.688 -20.313 5.097 1.00 1.43 H new ATOM 0 HE22 GLN A 52 0.809 -19.532 6.676 1.00 1.43 H new ATOM 871 N GLU A 53 3.879 -16.347 6.769 1.00 0.34 N ATOM 872 CA GLU A 53 3.561 -15.814 8.086 1.00 0.36 C ATOM 873 C GLU A 53 3.738 -14.300 8.118 1.00 0.33 C ATOM 874 O GLU A 53 3.023 -13.595 8.828 1.00 0.34 O ATOM 875 CB GLU A 53 4.444 -16.463 9.148 1.00 0.40 C ATOM 876 CG GLU A 53 3.881 -17.750 9.698 1.00 0.47 C ATOM 877 CD GLU A 53 4.366 -18.222 10.810 1.00 0.70 C ATOM 878 OE1 GLU A 53 4.550 -18.181 11.327 1.00 1.53 O ATOM 879 OE2 GLU A 53 4.563 -18.630 11.163 1.00 1.25 O ATOM 0 H GLU A 53 4.616 -17.052 6.767 1.00 0.34 H new ATOM 0 HA GLU A 53 2.517 -16.044 8.300 1.00 0.36 H new ATOM 0 HB2 GLU A 53 5.427 -16.660 8.720 1.00 0.40 H new ATOM 0 HB3 GLU A 53 4.588 -15.760 9.968 1.00 0.40 H new ATOM 0 HG2 GLU A 53 2.810 -17.608 9.839 1.00 0.47 H new ATOM 0 HG3 GLU A 53 4.003 -18.517 8.933 1.00 0.47 H new ATOM 886 N LYS A 54 4.696 -13.807 7.345 1.00 0.32 N ATOM 887 CA LYS A 54 4.968 -12.378 7.283 1.00 0.32 C ATOM 888 C LYS A 54 3.887 -11.652 6.491 1.00 0.32 C ATOM 889 O LYS A 54 3.314 -10.671 6.962 1.00 0.35 O ATOM 890 CB LYS A 54 6.336 -12.126 6.648 1.00 0.33 C ATOM 891 CG LYS A 54 7.501 -12.511 7.533 1.00 0.33 C ATOM 892 CD LYS A 54 7.933 -11.428 8.387 1.00 0.57 C ATOM 893 CE LYS A 54 8.113 -10.982 9.026 1.00 1.21 C ATOM 894 NZ LYS A 54 8.665 -10.950 9.651 1.00 1.80 N ATOM 0 H LYS A 54 5.299 -14.377 6.751 1.00 0.32 H new ATOM 0 HA LYS A 54 4.970 -11.990 8.301 1.00 0.32 H new ATOM 0 HB2 LYS A 54 6.401 -12.685 5.714 1.00 0.33 H new ATOM 0 HB3 LYS A 54 6.419 -11.069 6.394 1.00 0.33 H new ATOM 0 HG2 LYS A 54 7.217 -13.364 8.150 1.00 0.33 H new ATOM 0 HG3 LYS A 54 8.335 -12.832 6.909 1.00 0.33 H new ATOM 0 HD2 LYS A 54 8.912 -11.324 7.920 1.00 0.57 H new ATOM 0 HD3 LYS A 54 7.281 -10.682 7.932 1.00 0.57 H new ATOM 0 HE2 LYS A 54 8.227 -9.994 8.580 1.00 1.21 H new ATOM 0 HE3 LYS A 54 7.167 -10.980 9.567 1.00 1.21 H new ATOM 0 HZ1 LYS A 54 8.815 -9.960 9.931 1.00 1.80 H new ATOM 0 HZ2 LYS A 54 8.301 -11.488 10.463 1.00 1.80 H new ATOM 0 HZ3 LYS A 54 9.567 -11.362 9.339 1.00 1.80 H new ATOM 908 N ILE A 55 3.613 -12.140 5.289 1.00 0.30 N ATOM 909 CA ILE A 55 2.599 -11.538 4.434 1.00 0.31 C ATOM 910 C ILE A 55 1.237 -11.535 5.117 1.00 0.32 C ATOM 911 O ILE A 55 0.532 -10.531 5.117 1.00 0.32 O ATOM 912 CB ILE A 55 2.486 -12.279 3.090 1.00 0.31 C ATOM 913 CG1 ILE A 55 3.777 -12.131 2.290 1.00 0.31 C ATOM 914 CG2 ILE A 55 1.303 -11.754 2.297 1.00 0.34 C ATOM 915 CD1 ILE A 55 3.933 -13.165 1.208 1.00 0.35 C ATOM 0 H ILE A 55 4.079 -12.952 4.884 1.00 0.30 H new ATOM 0 HA ILE A 55 2.911 -10.510 4.248 1.00 0.31 H new ATOM 0 HB ILE A 55 2.325 -13.339 3.289 1.00 0.31 H new ATOM 0 HG12 ILE A 55 3.805 -11.139 1.840 1.00 0.31 H new ATOM 0 HG13 ILE A 55 4.626 -12.197 2.970 1.00 0.31 H new ATOM 0 HG21 ILE A 55 1.235 -12.287 1.349 1.00 0.34 H new ATOM 0 HG22 ILE A 55 0.386 -11.908 2.866 1.00 0.34 H new ATOM 0 HG23 ILE A 55 1.437 -10.689 2.106 1.00 0.34 H new ATOM 0 HD11 ILE A 55 4.872 -13.000 0.680 1.00 0.35 H new ATOM 0 HD12 ILE A 55 3.937 -14.160 1.653 1.00 0.35 H new ATOM 0 HD13 ILE A 55 3.103 -13.085 0.506 1.00 0.35 H new ATOM 927 N ILE A 56 0.873 -12.663 5.699 1.00 0.36 N ATOM 928 CA ILE A 56 -0.404 -12.789 6.388 1.00 0.39 C ATOM 929 C ILE A 56 -0.533 -11.760 7.501 1.00 0.36 C ATOM 930 O ILE A 56 -1.599 -11.186 7.706 1.00 0.34 O ATOM 931 CB ILE A 56 -0.583 -14.194 6.981 1.00 0.45 C ATOM 932 CG1 ILE A 56 -1.374 -14.763 6.827 1.00 1.03 C ATOM 933 CG2 ILE A 56 -0.565 -14.409 7.949 1.00 1.20 C ATOM 934 CD1 ILE A 56 -1.590 -15.831 6.935 1.00 1.57 C ATOM 0 H ILE A 56 1.443 -13.509 5.710 1.00 0.36 H new ATOM 0 HA ILE A 56 -1.182 -12.614 5.645 1.00 0.39 H new ATOM 0 HB ILE A 56 0.320 -14.358 6.394 1.00 0.45 H new ATOM 0 HG12 ILE A 56 -2.143 -14.291 7.438 1.00 1.03 H new ATOM 0 HG13 ILE A 56 -1.626 -14.562 5.786 1.00 1.03 H new ATOM 0 HG21 ILE A 56 -0.718 -15.479 8.087 1.00 1.20 H new ATOM 0 HG22 ILE A 56 0.400 -14.123 8.367 1.00 1.20 H new ATOM 0 HG23 ILE A 56 -1.358 -13.861 8.458 1.00 1.20 H new ATOM 0 HD11 ILE A 56 -2.622 -16.025 6.644 1.00 1.57 H new ATOM 0 HD12 ILE A 56 -0.919 -16.404 6.296 1.00 1.57 H new ATOM 0 HD13 ILE A 56 -1.444 -16.129 7.973 1.00 1.57 H new ATOM 946 N ARG A 57 0.559 -11.529 8.218 1.00 0.39 N ATOM 947 CA ARG A 57 0.568 -10.568 9.311 1.00 0.37 C ATOM 948 C ARG A 57 0.365 -9.151 8.791 1.00 0.32 C ATOM 949 O ARG A 57 -0.517 -8.432 9.253 1.00 0.31 O ATOM 950 CB ARG A 57 1.884 -10.654 10.082 1.00 0.41 C ATOM 951 CG ARG A 57 1.762 -11.365 11.417 1.00 0.43 C ATOM 952 CD ARG A 57 1.420 -12.813 11.249 1.00 0.42 C ATOM 953 NE ARG A 57 1.274 -13.525 12.153 1.00 0.97 N ATOM 954 CZ ARG A 57 0.922 -14.365 12.599 1.00 1.29 C ATOM 955 NH1 ARG A 57 0.682 -14.596 12.227 1.00 1.73 N ATOM 956 NH2 ARG A 57 0.810 -14.975 13.420 1.00 1.88 N ATOM 0 H ARG A 57 1.452 -11.996 8.061 1.00 0.39 H new ATOM 0 HA ARG A 57 -0.256 -10.812 9.982 1.00 0.37 H new ATOM 0 HB2 ARG A 57 2.621 -11.174 9.469 1.00 0.41 H new ATOM 0 HB3 ARG A 57 2.263 -9.646 10.250 1.00 0.41 H new ATOM 0 HG2 ARG A 57 2.701 -11.275 11.964 1.00 0.43 H new ATOM 0 HG3 ARG A 57 0.995 -10.878 12.019 1.00 0.43 H new ATOM 0 HD2 ARG A 57 0.498 -12.851 10.669 1.00 0.42 H new ATOM 0 HD3 ARG A 57 2.204 -13.250 10.630 1.00 0.42 H new ATOM 0 HE ARG A 57 1.766 -13.048 12.908 1.00 0.97 H new ATOM 0 HH11 ARG A 57 0.655 -14.175 11.298 1.00 1.73 H new ATOM 0 HH12 ARG A 57 0.219 -15.489 12.396 1.00 1.73 H new ATOM 0 HH21 ARG A 57 1.221 -14.707 14.314 1.00 1.88 H new ATOM 0 HH22 ARG A 57 0.287 -15.847 13.340 1.00 1.88 H new ATOM 970 N GLU A 58 1.188 -8.759 7.827 1.00 0.31 N ATOM 971 CA GLU A 58 1.099 -7.427 7.245 1.00 0.29 C ATOM 972 C GLU A 58 -0.258 -7.210 6.585 1.00 0.28 C ATOM 973 O GLU A 58 -0.898 -6.177 6.779 1.00 0.28 O ATOM 974 CB GLU A 58 2.214 -7.220 6.223 1.00 0.31 C ATOM 975 CG GLU A 58 3.056 -6.153 6.447 1.00 0.75 C ATOM 976 CD GLU A 58 3.920 -5.837 5.481 1.00 0.98 C ATOM 977 OE1 GLU A 58 4.270 -6.097 4.967 1.00 1.25 O ATOM 978 OE2 GLU A 58 4.247 -5.328 5.239 1.00 1.67 O ATOM 0 H GLU A 58 1.924 -9.344 7.432 1.00 0.31 H new ATOM 0 HA GLU A 58 1.212 -6.699 8.048 1.00 0.29 H new ATOM 0 HB2 GLU A 58 2.815 -8.128 6.184 1.00 0.31 H new ATOM 0 HB3 GLU A 58 1.759 -7.096 5.240 1.00 0.31 H new ATOM 0 HG2 GLU A 58 2.441 -5.276 6.648 1.00 0.75 H new ATOM 0 HG3 GLU A 58 3.625 -6.358 7.354 1.00 0.75 H new ATOM 985 N LEU A 59 -0.692 -8.191 5.805 1.00 0.28 N ATOM 986 CA LEU A 59 -1.973 -8.109 5.115 1.00 0.28 C ATOM 987 C LEU A 59 -3.126 -8.063 6.110 1.00 0.28 C ATOM 988 O LEU A 59 -4.131 -7.396 5.880 1.00 0.30 O ATOM 989 CB LEU A 59 -2.145 -9.301 4.174 1.00 0.30 C ATOM 990 CG LEU A 59 -3.125 -9.119 3.033 1.00 0.36 C ATOM 991 CD1 LEU A 59 -2.988 -9.057 2.212 1.00 1.33 C ATOM 992 CD2 LEU A 59 -3.801 -9.580 2.775 1.00 1.29 C ATOM 0 H LEU A 59 -0.175 -9.054 5.634 1.00 0.28 H new ATOM 0 HA LEU A 59 -1.984 -7.188 4.532 1.00 0.28 H new ATOM 0 HB2 LEU A 59 -1.171 -9.547 3.752 1.00 0.30 H new ATOM 0 HB3 LEU A 59 -2.463 -10.160 4.765 1.00 0.30 H new ATOM 0 HG LEU A 59 -3.157 -8.314 3.767 1.00 0.36 H new ATOM 0 HD11 LEU A 59 -3.938 -8.933 1.693 1.00 1.33 H new ATOM 0 HD12 LEU A 59 -2.351 -8.195 2.014 1.00 1.33 H new ATOM 0 HD13 LEU A 59 -2.496 -9.962 1.856 1.00 1.33 H new ATOM 0 HD21 LEU A 59 -4.251 -9.108 1.901 1.00 1.29 H new ATOM 0 HD22 LEU A 59 -3.477 -10.588 2.517 1.00 1.29 H new ATOM 0 HD23 LEU A 59 -4.535 -9.630 3.579 1.00 1.29 H new ATOM 1004 N ASP A 60 -2.974 -8.774 7.218 1.00 0.30 N ATOM 1005 CA ASP A 60 -4.001 -8.812 8.251 1.00 0.31 C ATOM 1006 C ASP A 60 -4.172 -7.443 8.898 1.00 0.30 C ATOM 1007 O ASP A 60 -5.277 -6.906 8.956 1.00 0.30 O ATOM 1008 CB ASP A 60 -3.646 -9.851 9.313 1.00 0.34 C ATOM 1009 CG ASP A 60 -4.661 -9.971 10.363 1.00 0.48 C ATOM 1010 OD1 ASP A 60 -5.136 -10.142 10.650 1.00 1.20 O ATOM 1011 OD2 ASP A 60 -4.982 -9.895 10.898 1.00 1.20 O ATOM 0 H ASP A 60 -2.147 -9.334 7.426 1.00 0.30 H new ATOM 0 HA ASP A 60 -4.944 -9.091 7.781 1.00 0.31 H new ATOM 0 HB2 ASP A 60 -3.512 -10.821 8.833 1.00 0.34 H new ATOM 0 HB3 ASP A 60 -2.692 -9.585 9.768 1.00 0.34 H new ATOM 1016 N VAL A 61 -3.070 -6.884 9.385 1.00 0.31 N ATOM 1017 CA VAL A 61 -3.098 -5.578 10.029 1.00 0.32 C ATOM 1018 C VAL A 61 -3.592 -4.503 9.070 1.00 0.30 C ATOM 1019 O VAL A 61 -4.399 -3.652 9.436 1.00 0.32 O ATOM 1020 CB VAL A 61 -1.707 -5.182 10.552 1.00 0.35 C ATOM 1021 CG1 VAL A 61 -1.304 -5.237 11.122 1.00 1.36 C ATOM 1022 CG2 VAL A 61 -1.025 -5.251 10.399 1.00 1.29 C ATOM 0 H VAL A 61 -2.147 -7.315 9.346 1.00 0.31 H new ATOM 0 HA VAL A 61 -3.787 -5.655 10.870 1.00 0.32 H new ATOM 0 HB VAL A 61 -2.564 -4.602 10.210 1.00 0.35 H new ATOM 0 HG11 VAL A 61 -0.348 -4.746 10.941 1.00 1.36 H new ATOM 0 HG12 VAL A 61 -1.802 -4.761 11.967 1.00 1.36 H new ATOM 0 HG13 VAL A 61 -1.134 -6.290 11.347 1.00 1.36 H new ATOM 0 HG21 VAL A 61 -0.429 -4.740 11.155 1.00 1.29 H new ATOM 0 HG22 VAL A 61 -0.761 -6.308 10.383 1.00 1.29 H new ATOM 0 HG23 VAL A 61 -0.825 -4.812 9.421 1.00 1.29 H new ATOM 1032 N VAL A 62 -3.103 -4.547 7.838 1.00 0.28 N ATOM 1033 CA VAL A 62 -3.495 -3.578 6.825 1.00 0.28 C ATOM 1034 C VAL A 62 -4.973 -3.713 6.478 1.00 0.26 C ATOM 1035 O VAL A 62 -5.736 -2.754 6.582 1.00 0.28 O ATOM 1036 CB VAL A 62 -2.661 -3.739 5.542 1.00 0.29 C ATOM 1037 CG1 VAL A 62 -3.189 -2.832 4.446 1.00 0.33 C ATOM 1038 CG2 VAL A 62 -1.195 -3.455 5.821 1.00 0.31 C ATOM 0 H VAL A 62 -2.433 -5.245 7.516 1.00 0.28 H new ATOM 0 HA VAL A 62 -3.313 -2.589 7.246 1.00 0.28 H new ATOM 0 HB VAL A 62 -2.748 -4.770 5.200 1.00 0.29 H new ATOM 0 HG11 VAL A 62 -2.587 -2.960 3.546 1.00 0.33 H new ATOM 0 HG12 VAL A 62 -4.225 -3.090 4.228 1.00 0.33 H new ATOM 0 HG13 VAL A 62 -3.135 -1.794 4.775 1.00 0.33 H new ATOM 0 HG21 VAL A 62 -0.620 -3.574 4.903 1.00 0.31 H new ATOM 0 HG22 VAL A 62 -1.086 -2.435 6.188 1.00 0.31 H new ATOM 0 HG23 VAL A 62 -0.826 -4.153 6.573 1.00 0.31 H new ATOM 1048 N CYS A 63 -5.369 -4.910 6.065 1.00 0.25 N ATOM 1049 CA CYS A 63 -6.756 -5.172 5.702 1.00 0.25 C ATOM 1050 C CYS A 63 -7.691 -4.869 6.868 1.00 0.25 C ATOM 1051 O CYS A 63 -8.855 -4.526 6.670 1.00 0.25 O ATOM 1052 CB CYS A 63 -6.923 -6.626 5.263 1.00 0.27 C ATOM 1053 SG CYS A 63 -7.724 -7.380 5.403 1.00 1.34 S ATOM 0 H CYS A 63 -4.749 -5.715 5.973 1.00 0.25 H new ATOM 0 HA CYS A 63 -7.018 -4.517 4.871 1.00 0.25 H new ATOM 0 HB2 CYS A 63 -6.800 -6.582 4.181 1.00 0.27 H new ATOM 0 HB3 CYS A 63 -6.037 -7.117 5.664 1.00 0.27 H new ATOM 0 HG CYS A 63 -7.380 -8.491 4.823 1.00 1.34 H new ATOM 1059 N ALA A 64 -7.172 -5.000 8.083 1.00 0.25 N ATOM 1060 CA ALA A 64 -7.960 -4.741 9.280 1.00 0.27 C ATOM 1061 C ALA A 64 -8.235 -3.251 9.444 1.00 0.26 C ATOM 1062 O ALA A 64 -9.388 -2.826 9.500 1.00 0.26 O ATOM 1063 CB ALA A 64 -7.247 -5.286 10.507 1.00 0.30 C ATOM 0 H ALA A 64 -6.209 -5.284 8.264 1.00 0.25 H new ATOM 0 HA ALA A 64 -8.918 -5.250 9.173 1.00 0.27 H new ATOM 0 HB1 ALA A 64 -7.847 -5.086 11.395 1.00 0.30 H new ATOM 0 HB2 ALA A 64 -7.107 -6.361 10.399 1.00 0.30 H new ATOM 0 HB3 ALA A 64 -6.276 -4.802 10.608 1.00 0.30 H new ATOM 1069 N MET A 65 -7.169 -2.463 9.521 1.00 0.27 N ATOM 1070 CA MET A 65 -7.297 -1.021 9.679 1.00 0.29 C ATOM 1071 C MET A 65 -8.023 -0.407 8.488 1.00 0.27 C ATOM 1072 O MET A 65 -8.789 0.543 8.639 1.00 0.29 O ATOM 1073 CB MET A 65 -5.918 -0.380 9.836 1.00 0.32 C ATOM 1074 CG MET A 65 -5.097 -0.386 8.567 1.00 0.34 C ATOM 1075 SD MET A 65 -3.460 0.330 8.792 1.00 0.39 S ATOM 1076 CE MET A 65 -2.580 -1.052 9.510 1.00 0.40 C ATOM 0 H MET A 65 -6.207 -2.799 9.477 1.00 0.27 H new ATOM 0 HA MET A 65 -7.883 -0.829 10.578 1.00 0.29 H new ATOM 0 HB2 MET A 65 -6.042 0.649 10.173 1.00 0.32 H new ATOM 0 HB3 MET A 65 -5.369 -0.907 10.616 1.00 0.32 H new ATOM 0 HG2 MET A 65 -4.994 -1.411 8.211 1.00 0.34 H new ATOM 0 HG3 MET A 65 -5.628 0.169 7.793 1.00 0.34 H new ATOM 0 HE1 MET A 65 -1.808 -0.681 10.184 1.00 0.40 H new ATOM 0 HE2 MET A 65 -3.277 -1.678 10.067 1.00 0.40 H new ATOM 0 HE3 MET A 65 -2.118 -1.641 8.717 1.00 0.40 H new ATOM 1086 N ILE A 66 -7.777 -0.954 7.305 1.00 0.27 N ATOM 1087 CA ILE A 66 -8.408 -0.459 6.090 1.00 0.28 C ATOM 1088 C ILE A 66 -9.900 -0.767 6.081 1.00 0.27 C ATOM 1089 O ILE A 66 -10.721 0.102 5.793 1.00 0.29 O ATOM 1090 CB ILE A 66 -7.762 -1.069 4.833 1.00 0.29 C ATOM 1091 CG1 ILE A 66 -6.696 -0.127 4.274 1.00 0.32 C ATOM 1092 CG2 ILE A 66 -8.821 -1.361 3.783 1.00 0.30 C ATOM 1093 CD1 ILE A 66 -5.606 0.206 5.262 1.00 0.32 C ATOM 0 H ILE A 66 -7.144 -1.741 7.161 1.00 0.27 H new ATOM 0 HA ILE A 66 -8.263 0.621 6.076 1.00 0.28 H new ATOM 0 HB ILE A 66 -7.282 -2.008 5.108 1.00 0.29 H new ATOM 0 HG12 ILE A 66 -6.248 -0.582 3.391 1.00 0.32 H new ATOM 0 HG13 ILE A 66 -7.174 0.797 3.948 1.00 0.32 H new ATOM 0 HG21 ILE A 66 -8.349 -1.792 2.900 1.00 0.30 H new ATOM 0 HG22 ILE A 66 -9.548 -2.066 4.186 1.00 0.30 H new ATOM 0 HG23 ILE A 66 -9.326 -0.435 3.509 1.00 0.30 H new ATOM 0 HD11 ILE A 66 -4.886 0.878 4.796 1.00 0.32 H new ATOM 0 HD12 ILE A 66 -6.042 0.691 6.135 1.00 0.32 H new ATOM 0 HD13 ILE A 66 -5.101 -0.710 5.569 1.00 0.32 H new ATOM 1105 N GLU A 67 -10.243 -2.010 6.399 1.00 0.26 N ATOM 1106 CA GLU A 67 -11.637 -2.433 6.429 1.00 0.27 C ATOM 1107 C GLU A 67 -12.440 -1.593 7.418 1.00 0.27 C ATOM 1108 O GLU A 67 -13.511 -1.086 7.091 1.00 0.29 O ATOM 1109 CB GLU A 67 -11.736 -3.911 6.801 1.00 0.28 C ATOM 1110 CG GLU A 67 -11.568 -4.849 5.620 1.00 0.30 C ATOM 1111 CD GLU A 67 -12.055 -5.865 5.587 1.00 0.99 C ATOM 1112 OE1 GLU A 67 -11.998 -6.050 5.742 1.00 1.94 O ATOM 1113 OE2 GLU A 67 -12.495 -6.474 5.407 1.00 1.38 O ATOM 0 H GLU A 67 -9.575 -2.742 6.640 1.00 0.26 H new ATOM 0 HA GLU A 67 -12.055 -2.288 5.433 1.00 0.27 H new ATOM 0 HB2 GLU A 67 -10.975 -4.141 7.547 1.00 0.28 H new ATOM 0 HB3 GLU A 67 -12.705 -4.096 7.266 1.00 0.28 H new ATOM 0 HG2 GLU A 67 -11.912 -4.308 4.738 1.00 0.30 H new ATOM 0 HG3 GLU A 67 -10.497 -5.010 5.498 1.00 0.30 H new ATOM 1120 N GLY A 68 -11.913 -1.452 8.629 1.00 0.27 N ATOM 1121 CA GLY A 68 -12.593 -0.674 9.647 1.00 0.28 C ATOM 1122 C GLY A 68 -12.699 0.791 9.282 1.00 0.29 C ATOM 1123 O GLY A 68 -13.769 1.385 9.380 1.00 0.31 O ATOM 0 H GLY A 68 -11.027 -1.863 8.924 1.00 0.27 H new ATOM 0 HA2 GLY A 68 -13.593 -1.080 9.802 1.00 0.28 H new ATOM 0 HA3 GLY A 68 -12.059 -0.772 10.592 1.00 0.28 H new ATOM 1127 N ALA A 69 -11.587 1.376 8.862 1.00 0.31 N ATOM 1128 CA ALA A 69 -11.560 2.780 8.482 1.00 0.35 C ATOM 1129 C ALA A 69 -12.499 3.052 7.315 1.00 0.35 C ATOM 1130 O ALA A 69 -13.339 3.945 7.379 1.00 0.35 O ATOM 1131 CB ALA A 69 -10.146 3.204 8.128 1.00 0.38 C ATOM 0 H ALA A 69 -10.690 0.899 8.776 1.00 0.31 H new ATOM 0 HA ALA A 69 -11.902 3.366 9.335 1.00 0.35 H new ATOM 0 HB1 ALA A 69 -10.142 4.257 7.846 1.00 0.38 H new ATOM 0 HB2 ALA A 69 -9.495 3.057 8.990 1.00 0.38 H new ATOM 0 HB3 ALA A 69 -9.784 2.603 7.294 1.00 0.38 H new ATOM 1137 N GLN A 70 -12.351 2.278 6.253 1.00 0.38 N ATOM 1138 CA GLN A 70 -13.186 2.438 5.072 1.00 0.41 C ATOM 1139 C GLN A 70 -14.658 2.267 5.416 1.00 0.39 C ATOM 1140 O GLN A 70 -15.498 3.042 4.981 1.00 0.38 O ATOM 1141 CB GLN A 70 -12.784 1.432 4.001 1.00 0.49 C ATOM 1142 CG GLN A 70 -12.797 1.398 3.073 1.00 1.03 C ATOM 1143 CD GLN A 70 -13.261 0.665 2.187 1.00 1.31 C ATOM 1144 OE1 GLN A 70 -12.971 0.517 1.850 1.00 2.35 O ATOM 1145 NE2 GLN A 70 -13.986 0.202 1.804 1.00 0.83 N ATOM 0 H GLN A 70 -11.660 1.531 6.183 1.00 0.38 H new ATOM 0 HA GLN A 70 -13.037 3.448 4.689 1.00 0.41 H new ATOM 0 HB2 GLN A 70 -11.738 1.236 4.235 1.00 0.49 H new ATOM 0 HB3 GLN A 70 -13.346 0.542 4.283 1.00 0.49 H new ATOM 0 HG2 GLN A 70 -13.209 2.372 2.810 1.00 1.03 H new ATOM 0 HG3 GLN A 70 -11.736 1.423 2.824 1.00 1.03 H new ATOM 0 HE21 GLN A 70 -14.906 0.243 2.242 1.00 0.83 H new ATOM 0 HE22 GLN A 70 -13.851 -0.340 0.951 1.00 0.83 H new ATOM 1154 N GLY A 71 -14.962 1.244 6.200 1.00 0.43 N ATOM 1155 CA GLY A 71 -16.333 0.989 6.589 1.00 0.44 C ATOM 1156 C GLY A 71 -16.949 2.148 7.338 1.00 0.39 C ATOM 1157 O GLY A 71 -18.042 2.594 7.012 1.00 0.40 O ATOM 0 H GLY A 71 -14.281 0.584 6.575 1.00 0.43 H new ATOM 0 HA2 GLY A 71 -16.926 0.780 5.699 1.00 0.44 H new ATOM 0 HA3 GLY A 71 -16.370 0.097 7.214 1.00 0.44 H new ATOM 1161 N ALA A 72 -16.246 2.637 8.345 1.00 0.38 N ATOM 1162 CA ALA A 72 -16.731 3.752 9.142 1.00 0.38 C ATOM 1163 C ALA A 72 -16.826 5.024 8.313 1.00 0.33 C ATOM 1164 O ALA A 72 -17.852 5.696 8.304 1.00 0.33 O ATOM 1165 CB ALA A 72 -15.831 3.971 10.338 1.00 0.43 C ATOM 0 H ALA A 72 -15.335 2.279 8.631 1.00 0.38 H new ATOM 0 HA ALA A 72 -17.733 3.504 9.492 1.00 0.38 H new ATOM 0 HB1 ALA A 72 -16.205 4.809 10.926 1.00 0.43 H new ATOM 0 HB2 ALA A 72 -15.819 3.072 10.954 1.00 0.43 H new ATOM 0 HB3 ALA A 72 -14.819 4.191 9.997 1.00 0.43 H new ATOM 1171 N LEU A 73 -15.750 5.351 7.618 1.00 0.35 N ATOM 1172 CA LEU A 73 -15.711 6.544 6.786 1.00 0.34 C ATOM 1173 C LEU A 73 -16.837 6.530 5.761 1.00 0.33 C ATOM 1174 O LEU A 73 -17.561 7.506 5.607 1.00 0.34 O ATOM 1175 CB LEU A 73 -14.365 6.650 6.075 1.00 0.39 C ATOM 1176 CG LEU A 73 -13.868 7.607 5.620 1.00 0.75 C ATOM 1177 CD1 LEU A 73 -13.189 8.026 5.611 1.00 1.42 C ATOM 1178 CD2 LEU A 73 -13.551 7.831 4.862 1.00 1.39 C ATOM 0 H LEU A 73 -14.888 4.806 7.613 1.00 0.35 H new ATOM 0 HA LEU A 73 -15.843 7.411 7.433 1.00 0.34 H new ATOM 0 HB2 LEU A 73 -13.636 6.260 6.785 1.00 0.39 H new ATOM 0 HB3 LEU A 73 -14.420 5.938 5.251 1.00 0.39 H new ATOM 0 HG LEU A 73 -14.785 7.641 6.209 1.00 0.75 H new ATOM 0 HD11 LEU A 73 -13.306 8.895 4.963 1.00 1.42 H new ATOM 0 HD12 LEU A 73 -12.952 8.356 6.622 1.00 1.42 H new ATOM 0 HD13 LEU A 73 -12.380 7.400 5.235 1.00 1.42 H new ATOM 0 HD21 LEU A 73 -13.184 8.856 4.910 1.00 1.39 H new ATOM 0 HD22 LEU A 73 -12.731 7.163 4.599 1.00 1.39 H new ATOM 0 HD23 LEU A 73 -14.333 7.761 4.106 1.00 1.39 H new ATOM 1190 N GLU A 74 -16.978 5.416 5.065 1.00 0.36 N ATOM 1191 CA GLU A 74 -18.017 5.275 4.057 1.00 0.39 C ATOM 1192 C GLU A 74 -19.399 5.442 4.671 1.00 0.39 C ATOM 1193 O GLU A 74 -20.229 6.189 4.162 1.00 0.41 O ATOM 1194 CB GLU A 74 -17.913 3.915 3.377 1.00 0.46 C ATOM 1195 CG GLU A 74 -17.153 3.780 2.347 1.00 0.75 C ATOM 1196 CD GLU A 74 -17.429 3.631 1.547 1.00 1.53 C ATOM 1197 OE1 GLU A 74 -17.926 3.486 1.315 1.00 2.05 O ATOM 1198 OE2 GLU A 74 -17.147 3.660 1.154 1.00 2.30 O ATOM 0 H GLU A 74 -16.385 4.594 5.179 1.00 0.36 H new ATOM 0 HA GLU A 74 -17.873 6.059 3.313 1.00 0.39 H new ATOM 0 HB2 GLU A 74 -17.577 3.199 4.127 1.00 0.46 H new ATOM 0 HB3 GLU A 74 -18.920 3.619 3.082 1.00 0.46 H new ATOM 0 HG2 GLU A 74 -16.557 4.691 2.293 1.00 0.75 H new ATOM 0 HG3 GLU A 74 -16.469 2.965 2.584 1.00 0.75 H new ATOM 1205 N ARG A 75 -19.639 4.741 5.768 1.00 0.40 N ATOM 1206 CA ARG A 75 -20.921 4.810 6.451 1.00 0.44 C ATOM 1207 C ARG A 75 -21.180 6.213 6.980 1.00 0.42 C ATOM 1208 O ARG A 75 -22.326 6.631 7.116 1.00 0.46 O ATOM 1209 CB ARG A 75 -20.962 3.806 7.600 1.00 0.49 C ATOM 1210 CG ARG A 75 -21.701 2.923 7.618 1.00 0.91 C ATOM 1211 CD ARG A 75 -22.640 2.306 7.255 1.00 0.92 C ATOM 1212 NE ARG A 75 -23.186 1.827 7.558 1.00 1.59 N ATOM 1213 CZ ARG A 75 -23.950 1.309 7.414 1.00 2.07 C ATOM 1214 NH1 ARG A 75 -24.258 1.204 6.974 1.00 2.22 N ATOM 1215 NH2 ARG A 75 -24.408 0.894 7.712 1.00 2.95 N ATOM 0 H ARG A 75 -18.961 4.117 6.205 1.00 0.40 H new ATOM 0 HA ARG A 75 -21.702 4.563 5.732 1.00 0.44 H new ATOM 0 HB2 ARG A 75 -19.962 3.379 7.679 1.00 0.49 H new ATOM 0 HB3 ARG A 75 -21.137 4.379 8.511 1.00 0.49 H new ATOM 0 HG2 ARG A 75 -20.966 2.123 7.533 1.00 0.91 H new ATOM 0 HG3 ARG A 75 -21.977 2.992 8.670 1.00 0.91 H new ATOM 0 HD2 ARG A 75 -23.249 3.075 6.780 1.00 0.92 H new ATOM 0 HD3 ARG A 75 -22.218 1.695 6.457 1.00 0.92 H new ATOM 0 HE ARG A 75 -22.958 1.728 8.547 1.00 1.59 H new ATOM 0 HH11 ARG A 75 -24.021 1.622 6.074 1.00 2.22 H new ATOM 0 HH12 ARG A 75 -25.069 0.591 7.054 1.00 2.22 H new ATOM 0 HH21 ARG A 75 -24.331 0.680 8.706 1.00 2.95 H new ATOM 0 HH22 ARG A 75 -25.166 0.491 7.161 1.00 2.95 H new ATOM 1229 N GLU A 76 -20.107 6.935 7.275 1.00 0.37 N ATOM 1230 CA GLU A 76 -20.220 8.291 7.790 1.00 0.37 C ATOM 1231 C GLU A 76 -20.560 9.269 6.673 1.00 0.35 C ATOM 1232 O GLU A 76 -21.524 10.025 6.768 1.00 0.39 O ATOM 1233 CB GLU A 76 -18.918 8.709 8.472 1.00 0.35 C ATOM 1234 CG GLU A 76 -18.970 9.531 9.427 1.00 0.79 C ATOM 1235 CD GLU A 76 -19.024 10.014 10.196 1.00 1.28 C ATOM 1236 OE1 GLU A 76 -18.951 10.001 10.354 1.00 2.08 O ATOM 1237 OE2 GLU A 76 -19.140 10.405 10.639 1.00 1.77 O ATOM 0 H GLU A 76 -19.149 6.603 7.166 1.00 0.37 H new ATOM 0 HA GLU A 76 -21.027 8.310 8.522 1.00 0.37 H new ATOM 0 HB2 GLU A 76 -18.433 7.805 8.840 1.00 0.35 H new ATOM 0 HB3 GLU A 76 -18.266 9.132 7.708 1.00 0.35 H new ATOM 0 HG2 GLU A 76 -18.023 9.992 9.146 1.00 0.79 H new ATOM 0 HG3 GLU A 76 -19.761 10.110 8.950 1.00 0.79 H new ATOM 1244 N LEU A 77 -19.763 9.249 5.616 1.00 0.33 N ATOM 1245 CA LEU A 77 -19.978 10.134 4.480 1.00 0.35 C ATOM 1246 C LEU A 77 -21.279 9.796 3.765 1.00 0.37 C ATOM 1247 O LEU A 77 -21.898 10.650 3.140 1.00 0.40 O ATOM 1248 CB LEU A 77 -18.808 10.035 3.505 1.00 0.35 C ATOM 1249 CG LEU A 77 -18.489 8.639 2.980 1.00 0.34 C ATOM 1250 CD1 LEU A 77 -19.259 8.360 1.703 1.00 0.36 C ATOM 1251 CD2 LEU A 77 -16.998 8.487 2.745 1.00 0.39 C ATOM 0 H LEU A 77 -18.959 8.628 5.520 1.00 0.33 H new ATOM 0 HA LEU A 77 -20.046 11.155 4.855 1.00 0.35 H new ATOM 0 HB2 LEU A 77 -19.015 10.683 2.653 1.00 0.35 H new ATOM 0 HB3 LEU A 77 -17.918 10.429 3.996 1.00 0.35 H new ATOM 0 HG LEU A 77 -18.796 7.912 3.732 1.00 0.34 H new ATOM 0 HD11 LEU A 77 -19.018 7.359 1.344 1.00 0.36 H new ATOM 0 HD12 LEU A 77 -20.329 8.427 1.901 1.00 0.36 H new ATOM 0 HD13 LEU A 77 -18.984 9.093 0.945 1.00 0.36 H new ATOM 0 HD21 LEU A 77 -16.789 7.485 2.371 1.00 0.39 H new ATOM 0 HD22 LEU A 77 -16.668 9.224 2.013 1.00 0.39 H new ATOM 0 HD23 LEU A 77 -16.464 8.643 3.682 1.00 0.39 H new ATOM 1263 N LYS A 78 -21.691 8.543 3.863 1.00 0.41 N ATOM 1264 CA LYS A 78 -22.921 8.091 3.228 1.00 0.45 C ATOM 1265 C LYS A 78 -24.128 8.784 3.829 1.00 0.48 C ATOM 1266 O LYS A 78 -25.214 8.756 3.258 1.00 0.54 O ATOM 1267 CB LYS A 78 -23.065 6.586 3.372 1.00 0.54 C ATOM 1268 CG LYS A 78 -22.514 5.812 2.212 1.00 0.58 C ATOM 1269 CD LYS A 78 -23.281 5.876 1.060 1.00 0.79 C ATOM 1270 CE LYS A 78 -22.811 5.557 -0.094 1.00 0.83 C ATOM 1271 NZ LYS A 78 -22.657 5.003 -0.404 1.00 1.77 N ATOM 0 H LYS A 78 -21.191 7.818 4.377 1.00 0.41 H new ATOM 0 HA LYS A 78 -22.868 8.346 2.170 1.00 0.45 H new ATOM 0 HB2 LYS A 78 -22.558 6.267 4.283 1.00 0.54 H new ATOM 0 HB3 LYS A 78 -24.120 6.341 3.492 1.00 0.54 H new ATOM 0 HG2 LYS A 78 -21.513 6.182 1.988 1.00 0.58 H new ATOM 0 HG3 LYS A 78 -22.409 4.768 2.506 1.00 0.58 H new ATOM 0 HD2 LYS A 78 -24.153 5.245 1.229 1.00 0.79 H new ATOM 0 HD3 LYS A 78 -23.641 6.902 0.979 1.00 0.79 H new ATOM 0 HE2 LYS A 78 -23.513 6.031 -0.780 1.00 0.83 H new ATOM 0 HE3 LYS A 78 -21.883 6.127 -0.143 1.00 0.83 H new ATOM 0 HZ1 LYS A 78 -22.331 5.223 -1.367 1.00 1.77 H new ATOM 0 HZ2 LYS A 78 -21.900 4.514 0.115 1.00 1.77 H new ATOM 0 HZ3 LYS A 78 -23.495 4.389 -0.455 1.00 1.77 H new ATOM 1285 N ARG A 79 -23.930 9.404 4.982 1.00 0.48 N ATOM 1286 CA ARG A 79 -25.002 10.103 5.659 1.00 0.57 C ATOM 1287 C ARG A 79 -25.545 11.196 4.814 1.00 0.76 C ATOM 1288 O ARG A 79 -26.689 11.449 4.822 1.00 1.07 O ATOM 1289 CB ARG A 79 -24.537 10.670 6.968 1.00 0.51 C ATOM 1290 CG ARG A 79 -25.048 10.729 7.854 1.00 1.14 C ATOM 1291 CD ARG A 79 -25.305 10.567 8.743 1.00 1.60 C ATOM 1292 NE ARG A 79 -25.633 10.691 9.591 1.00 1.76 N ATOM 1293 CZ ARG A 79 -25.996 10.549 10.385 1.00 2.44 C ATOM 1294 NH1 ARG A 79 -26.077 10.278 10.438 1.00 2.98 N ATOM 1295 NH2 ARG A 79 -26.279 10.677 11.127 1.00 3.01 N ATOM 0 H ARG A 79 -23.033 9.435 5.467 1.00 0.48 H new ATOM 0 HA ARG A 79 -25.791 9.375 5.849 1.00 0.57 H new ATOM 0 HB2 ARG A 79 -23.625 10.122 7.205 1.00 0.51 H new ATOM 0 HB3 ARG A 79 -24.244 11.695 6.743 1.00 0.51 H new ATOM 0 HG2 ARG A 79 -24.943 11.808 7.967 1.00 1.14 H new ATOM 0 HG3 ARG A 79 -26.033 10.548 7.423 1.00 1.14 H new ATOM 0 HD2 ARG A 79 -25.933 9.706 8.514 1.00 1.60 H new ATOM 0 HD3 ARG A 79 -24.337 10.180 9.062 1.00 1.60 H new ATOM 0 HE ARG A 79 -25.454 11.691 9.680 1.00 1.76 H new ATOM 0 HH11 ARG A 79 -25.938 9.556 9.731 1.00 2.98 H new ATOM 0 HH12 ARG A 79 -26.503 10.039 11.333 1.00 2.98 H new ATOM 0 HH21 ARG A 79 -26.246 11.613 11.531 1.00 3.01 H new ATOM 0 HH22 ARG A 79 -26.671 9.903 11.664 1.00 3.01 H new ATOM 1309 N THR A 80 -24.718 11.843 4.085 1.00 0.72 N ATOM 1310 CA THR A 80 -25.114 12.909 3.236 1.00 1.00 C ATOM 1311 C THR A 80 -25.061 13.155 2.262 1.00 0.77 C ATOM 1312 O THR A 80 -24.664 12.747 2.339 1.00 1.45 O ATOM 1313 CB THR A 80 -24.887 13.699 3.308 1.00 1.82 C ATOM 1314 OG1 THR A 80 -24.257 13.421 3.587 1.00 2.27 O ATOM 1315 CG2 THR A 80 -25.164 13.687 3.960 1.00 2.96 C ATOM 0 H THR A 80 -23.718 11.644 4.058 1.00 0.72 H new ATOM 0 HA THR A 80 -25.934 12.300 3.618 1.00 1.00 H new ATOM 0 HB THR A 80 -24.996 14.507 2.584 1.00 1.82 H new ATOM 0 HG21 THR A 80 -25.041 14.665 4.426 1.00 2.96 H new ATOM 0 HG22 THR A 80 -26.225 13.445 3.900 1.00 2.96 H new ATOM 0 HG23 THR A 80 -24.653 12.933 4.559 1.00 2.96 H new ATOM 1323 N ASP A 81 -25.463 13.824 1.346 1.00 1.08 N ATOM 1324 CA ASP A 81 -25.462 14.125 0.355 1.00 1.64 C ATOM 1325 C ASP A 81 -25.792 14.170 -0.961 1.00 1.10 C ATOM 1326 O ASP A 81 -25.713 13.439 -1.552 1.00 1.47 O ATOM 1327 CB ASP A 81 -25.113 14.092 0.254 1.00 2.93 C ATOM 1328 CG ASP A 81 -25.306 14.041 0.270 1.00 3.87 C ATOM 1329 OD1 ASP A 81 -25.471 14.159 0.314 1.00 4.41 O ATOM 1330 OD2 ASP A 81 -25.291 13.882 0.238 1.00 4.50 O ATOM 0 HA ASP A 81 -26.382 14.574 0.729 1.00 1.64 H new ATOM 0 HB2 ASP A 81 -24.653 14.575 -0.608 1.00 2.93 H new ATOM 0 HB3 ASP A 81 -24.303 13.718 0.880 1.00 2.93 H new ATOM 1335 N LEU A 82 -26.164 15.032 -1.414 1.00 0.83 N ATOM 1336 CA LEU A 82 -26.508 15.173 -2.661 1.00 0.65 C ATOM 1337 C LEU A 82 -25.834 16.333 -3.371 1.00 0.59 C ATOM 1338 O LEU A 82 -25.991 17.484 -2.979 1.00 0.60 O ATOM 1339 CB LEU A 82 -27.852 15.271 -2.686 1.00 1.07 C ATOM 1340 CG LEU A 82 -28.563 15.373 -3.434 1.00 1.54 C ATOM 1341 CD1 LEU A 82 -28.974 15.442 -3.702 1.00 2.39 C ATOM 1342 CD2 LEU A 82 -29.047 15.488 -3.852 1.00 2.23 C ATOM 0 HA LEU A 82 -26.164 14.305 -3.223 1.00 0.65 H new ATOM 0 HB2 LEU A 82 -28.177 14.377 -2.153 1.00 1.07 H new ATOM 0 HB3 LEU A 82 -28.052 16.121 -2.034 1.00 1.07 H new ATOM 0 HG LEU A 82 -27.618 15.141 -2.942 1.00 1.54 H new ATOM 0 HD11 LEU A 82 -28.741 15.329 -4.761 1.00 2.39 H new ATOM 0 HD12 LEU A 82 -29.724 14.705 -3.415 1.00 2.39 H new ATOM 0 HD13 LEU A 82 -29.362 16.444 -3.521 1.00 2.39 H new ATOM 0 HD21 LEU A 82 -28.880 14.919 -4.767 1.00 2.23 H new ATOM 0 HD22 LEU A 82 -29.994 15.186 -3.404 1.00 2.23 H new ATOM 0 HD23 LEU A 82 -29.080 16.552 -4.087 1.00 2.23 H new ATOM 1354 N ASN A 83 -25.086 16.019 -4.420 1.00 0.55 N ATOM 1355 CA ASN A 83 -24.390 17.035 -5.186 1.00 0.52 C ATOM 1356 C ASN A 83 -23.625 16.412 -6.346 1.00 0.50 C ATOM 1357 O ASN A 83 -23.206 15.259 -6.279 1.00 0.46 O ATOM 1358 CB ASN A 83 -23.435 17.810 -4.288 1.00 0.52 C ATOM 1359 CG ASN A 83 -23.693 19.236 -4.263 1.00 0.58 C ATOM 1360 OD1 ASN A 83 -23.653 19.665 -3.478 1.00 1.10 O ATOM 1361 ND2 ASN A 83 -23.960 19.978 -5.125 1.00 0.68 N ATOM 0 H ASN A 83 -24.948 15.066 -4.758 1.00 0.55 H new ATOM 0 HA ASN A 83 -25.132 17.722 -5.593 1.00 0.52 H new ATOM 0 HB2 ASN A 83 -23.505 17.418 -3.273 1.00 0.52 H new ATOM 0 HB3 ASN A 83 -22.413 17.640 -4.626 1.00 0.52 H new ATOM 0 HD21 ASN A 83 -24.110 20.966 -4.919 1.00 0.68 H new ATOM 0 HD22 ASN A 83 -24.043 19.638 -6.083 1.00 0.68 H new ATOM 1368 N ILE A 84 -23.446 17.183 -7.407 1.00 0.53 N ATOM 1369 CA ILE A 84 -22.730 16.707 -8.580 1.00 0.53 C ATOM 1370 C ILE A 84 -21.303 16.312 -8.230 1.00 0.47 C ATOM 1371 O ILE A 84 -20.882 15.183 -8.475 1.00 0.45 O ATOM 1372 CB ILE A 84 -22.699 17.773 -9.688 1.00 0.59 C ATOM 1373 CG1 ILE A 84 -24.117 18.210 -10.045 1.00 0.65 C ATOM 1374 CG2 ILE A 84 -21.981 17.239 -10.913 1.00 0.60 C ATOM 1375 CD1 ILE A 84 -24.421 18.872 -10.628 1.00 1.16 C ATOM 0 H ILE A 84 -23.787 18.142 -7.480 1.00 0.53 H new ATOM 0 HA ILE A 84 -23.266 15.831 -8.944 1.00 0.53 H new ATOM 0 HB ILE A 84 -22.154 18.642 -9.320 1.00 0.59 H new ATOM 0 HG12 ILE A 84 -24.601 17.298 -10.395 1.00 0.65 H new ATOM 0 HG13 ILE A 84 -24.571 18.464 -9.087 1.00 0.65 H new ATOM 0 HG21 ILE A 84 -21.967 18.004 -11.689 1.00 0.60 H new ATOM 0 HG22 ILE A 84 -20.958 16.972 -10.648 1.00 0.60 H new ATOM 0 HG23 ILE A 84 -22.502 16.356 -11.284 1.00 0.60 H new ATOM 0 HD11 ILE A 84 -25.511 18.891 -10.620 1.00 1.16 H new ATOM 0 HD12 ILE A 84 -24.039 19.842 -10.309 1.00 1.16 H new ATOM 0 HD13 ILE A 84 -24.069 18.658 -11.637 1.00 1.16 H new ATOM 1387 N LEU A 85 -20.563 17.250 -7.654 1.00 0.46 N ATOM 1388 CA LEU A 85 -19.182 17.000 -7.267 1.00 0.42 C ATOM 1389 C LEU A 85 -19.101 15.892 -6.225 1.00 0.35 C ATOM 1390 O LEU A 85 -18.301 14.968 -6.350 1.00 0.33 O ATOM 1391 CB LEU A 85 -18.548 18.277 -6.719 1.00 0.45 C ATOM 1392 CG LEU A 85 -17.097 18.373 -6.772 1.00 0.66 C ATOM 1393 CD1 LEU A 85 -16.362 18.315 -6.730 1.00 1.22 C ATOM 1394 CD2 LEU A 85 -16.723 18.400 -6.895 1.00 1.81 C ATOM 0 H LEU A 85 -20.896 18.191 -7.445 1.00 0.46 H new ATOM 0 HA LEU A 85 -18.634 16.680 -8.153 1.00 0.42 H new ATOM 0 HB2 LEU A 85 -18.963 19.123 -7.267 1.00 0.45 H new ATOM 0 HB3 LEU A 85 -18.857 18.389 -5.680 1.00 0.45 H new ATOM 0 HG LEU A 85 -18.156 18.458 -6.528 1.00 0.66 H new ATOM 0 HD11 LEU A 85 -15.900 19.146 -7.264 1.00 1.22 H new ATOM 0 HD12 LEU A 85 -16.054 18.339 -5.685 1.00 1.22 H new ATOM 0 HD13 LEU A 85 -16.045 17.374 -7.180 1.00 1.22 H new ATOM 0 HD21 LEU A 85 -16.057 18.426 -6.032 1.00 1.81 H new ATOM 0 HD22 LEU A 85 -16.481 17.537 -7.515 1.00 1.81 H new ATOM 0 HD23 LEU A 85 -16.597 19.312 -7.478 1.00 1.81 H new ATOM 1406 N GLU A 86 -19.936 15.991 -5.199 1.00 0.34 N ATOM 1407 CA GLU A 86 -19.959 14.996 -4.137 1.00 0.29 C ATOM 1408 C GLU A 86 -20.241 13.607 -4.699 1.00 0.28 C ATOM 1409 O GLU A 86 -19.619 12.626 -4.298 1.00 0.25 O ATOM 1410 CB GLU A 86 -21.012 15.359 -3.093 1.00 0.33 C ATOM 1411 CG GLU A 86 -20.753 16.550 -2.352 1.00 0.44 C ATOM 1412 CD GLU A 86 -20.949 16.712 -1.290 1.00 1.11 C ATOM 1413 OE1 GLU A 86 -21.196 16.780 -0.835 1.00 1.66 O ATOM 1414 OE2 GLU A 86 -20.854 16.770 -0.913 1.00 1.94 O ATOM 0 H GLU A 86 -20.606 16.751 -5.080 1.00 0.34 H new ATOM 0 HA GLU A 86 -18.977 14.984 -3.663 1.00 0.29 H new ATOM 0 HB2 GLU A 86 -21.974 15.465 -3.594 1.00 0.33 H new ATOM 0 HB3 GLU A 86 -21.106 14.529 -2.393 1.00 0.33 H new ATOM 0 HG2 GLU A 86 -19.690 16.751 -2.486 1.00 0.44 H new ATOM 0 HG3 GLU A 86 -21.295 17.340 -2.872 1.00 0.44 H new ATOM 1421 N ARG A 87 -21.182 13.532 -5.629 1.00 0.33 N ATOM 1422 CA ARG A 87 -21.548 12.264 -6.244 1.00 0.34 C ATOM 1423 C ARG A 87 -20.372 11.673 -7.013 1.00 0.32 C ATOM 1424 O ARG A 87 -20.075 10.486 -6.896 1.00 0.31 O ATOM 1425 CB ARG A 87 -22.738 12.454 -7.182 1.00 0.41 C ATOM 1426 CG ARG A 87 -23.447 11.487 -7.453 1.00 0.94 C ATOM 1427 CD ARG A 87 -24.460 11.163 -7.622 1.00 1.31 C ATOM 1428 NE ARG A 87 -25.059 10.753 -7.900 1.00 1.89 N ATOM 1429 CZ ARG A 87 -25.712 10.263 -8.080 1.00 2.44 C ATOM 1430 NH1 ARG A 87 -25.850 10.122 -8.011 1.00 2.79 N ATOM 1431 NH2 ARG A 87 -26.229 9.913 -8.329 1.00 3.27 N ATOM 0 H ARG A 87 -21.707 14.335 -5.975 1.00 0.33 H new ATOM 0 HA ARG A 87 -21.826 11.571 -5.450 1.00 0.34 H new ATOM 0 HB2 ARG A 87 -23.380 13.220 -6.747 1.00 0.41 H new ATOM 0 HB3 ARG A 87 -22.355 12.854 -8.121 1.00 0.41 H new ATOM 0 HG2 ARG A 87 -22.974 11.147 -8.374 1.00 0.94 H new ATOM 0 HG3 ARG A 87 -23.146 10.795 -6.666 1.00 0.94 H new ATOM 0 HD2 ARG A 87 -24.714 11.034 -6.570 1.00 1.31 H new ATOM 0 HD3 ARG A 87 -24.841 12.138 -7.925 1.00 1.31 H new ATOM 0 HE ARG A 87 -24.990 11.141 -8.841 1.00 1.89 H new ATOM 0 HH11 ARG A 87 -25.818 9.810 -7.041 1.00 2.79 H new ATOM 0 HH12 ARG A 87 -26.555 9.746 -8.645 1.00 2.79 H new ATOM 0 HH21 ARG A 87 -26.501 10.030 -9.305 1.00 3.27 H new ATOM 0 HH22 ARG A 87 -26.741 9.265 -7.731 1.00 3.27 H new ATOM 1445 N PHE A 88 -19.707 12.510 -7.798 1.00 0.34 N ATOM 1446 CA PHE A 88 -18.565 12.071 -8.588 1.00 0.34 C ATOM 1447 C PHE A 88 -17.471 11.503 -7.691 1.00 0.31 C ATOM 1448 O PHE A 88 -17.038 10.367 -7.867 1.00 0.31 O ATOM 1449 CB PHE A 88 -18.013 13.233 -9.411 1.00 0.38 C ATOM 1450 CG PHE A 88 -16.721 12.914 -10.104 1.00 0.40 C ATOM 1451 CD1 PHE A 88 -16.156 12.679 -10.506 1.00 1.19 C ATOM 1452 CD2 PHE A 88 -16.072 12.849 -10.352 1.00 1.31 C ATOM 1453 CE1 PHE A 88 -14.968 12.385 -11.143 1.00 1.19 C ATOM 1454 CE2 PHE A 88 -14.884 12.555 -10.989 1.00 1.34 C ATOM 1455 CZ PHE A 88 -14.331 12.323 -11.385 1.00 0.48 C ATOM 0 H PHE A 88 -19.939 13.498 -7.905 1.00 0.34 H new ATOM 0 HA PHE A 88 -18.901 11.284 -9.263 1.00 0.34 H new ATOM 0 HB2 PHE A 88 -18.753 13.525 -10.156 1.00 0.38 H new ATOM 0 HB3 PHE A 88 -17.863 14.092 -8.757 1.00 0.38 H new ATOM 0 HD1 PHE A 88 -16.741 11.973 -11.078 1.00 1.19 H new ATOM 0 HD2 PHE A 88 -15.645 13.591 -9.694 1.00 1.31 H new ATOM 0 HE1 PHE A 88 -15.393 11.640 -11.800 1.00 1.19 H new ATOM 0 HE2 PHE A 88 -14.297 13.258 -10.417 1.00 1.34 H new ATOM 0 HZ PHE A 88 -13.399 12.096 -11.881 1.00 0.48 H new ATOM 1465 N ASN A 89 -17.030 12.305 -6.729 1.00 0.28 N ATOM 1466 CA ASN A 89 -15.986 11.883 -5.805 1.00 0.26 C ATOM 1467 C ASN A 89 -16.407 10.634 -5.040 1.00 0.22 C ATOM 1468 O ASN A 89 -15.615 9.712 -4.854 1.00 0.22 O ATOM 1469 CB ASN A 89 -15.661 13.010 -4.825 1.00 0.25 C ATOM 1470 CG ASN A 89 -15.155 14.243 -5.510 1.00 0.38 C ATOM 1471 OD1 ASN A 89 -15.161 14.534 -6.288 1.00 0.93 O ATOM 1472 ND2 ASN A 89 -14.714 14.974 -5.221 1.00 0.94 N ATOM 0 H ASN A 89 -17.379 13.250 -6.569 1.00 0.28 H new ATOM 0 HA ASN A 89 -15.095 11.646 -6.386 1.00 0.26 H new ATOM 0 HB2 ASN A 89 -16.555 13.258 -4.253 1.00 0.25 H new ATOM 0 HB3 ASN A 89 -14.913 12.662 -4.112 1.00 0.25 H new ATOM 0 HD21 ASN A 89 -14.462 15.711 -5.879 1.00 0.94 H new ATOM 0 HD22 ASN A 89 -14.467 15.064 -4.236 1.00 0.94 H new ATOM 1479 N TYR A 90 -17.659 10.612 -4.601 1.00 0.21 N ATOM 1480 CA TYR A 90 -18.185 9.478 -3.855 1.00 0.19 C ATOM 1481 C TYR A 90 -18.171 8.213 -4.705 1.00 0.21 C ATOM 1482 O TYR A 90 -17.753 7.151 -4.251 1.00 0.20 O ATOM 1483 CB TYR A 90 -19.608 9.771 -3.380 1.00 0.21 C ATOM 1484 CG TYR A 90 -19.667 10.499 -2.058 1.00 0.20 C ATOM 1485 CD1 TYR A 90 -19.424 11.060 -1.520 1.00 1.10 C ATOM 1486 CD2 TYR A 90 -19.966 10.625 -1.347 1.00 1.10 C ATOM 1487 CE1 TYR A 90 -19.476 11.725 -0.313 1.00 1.08 C ATOM 1488 CE2 TYR A 90 -20.022 11.289 -0.139 1.00 1.12 C ATOM 1489 CZ TYR A 90 -19.776 11.837 0.374 1.00 0.24 C ATOM 1490 OH TYR A 90 -19.830 12.500 1.577 1.00 0.27 O ATOM 0 H TYR A 90 -18.329 11.367 -4.749 1.00 0.21 H new ATOM 0 HA TYR A 90 -17.545 9.317 -2.988 1.00 0.19 H new ATOM 0 HB2 TYR A 90 -20.119 10.367 -4.136 1.00 0.21 H new ATOM 0 HB3 TYR A 90 -20.153 8.831 -3.292 1.00 0.21 H new ATOM 0 HD1 TYR A 90 -18.616 11.557 -2.036 1.00 1.10 H new ATOM 0 HD2 TYR A 90 -20.752 9.889 -1.269 1.00 1.10 H new ATOM 0 HE1 TYR A 90 -18.688 12.461 -0.381 1.00 1.08 H new ATOM 0 HE2 TYR A 90 -20.832 10.800 0.382 1.00 1.12 H new ATOM 0 HH TYR A 90 -20.503 12.079 2.152 1.00 0.27 H new ATOM 1500 N GLU A 91 -18.632 8.337 -5.942 1.00 0.26 N ATOM 1501 CA GLU A 91 -18.672 7.203 -6.857 1.00 0.29 C ATOM 1502 C GLU A 91 -17.283 6.606 -7.047 1.00 0.28 C ATOM 1503 O GLU A 91 -17.079 5.410 -6.852 1.00 0.28 O ATOM 1504 CB GLU A 91 -19.244 7.631 -8.207 1.00 0.34 C ATOM 1505 CG GLU A 91 -19.969 6.776 -8.854 1.00 0.80 C ATOM 1506 CD GLU A 91 -20.498 6.700 -9.709 1.00 1.23 C ATOM 1507 OE1 GLU A 91 -20.642 6.790 -10.199 1.00 1.84 O ATOM 1508 OE2 GLU A 91 -20.768 6.549 -9.887 1.00 1.99 O ATOM 0 H GLU A 91 -18.983 9.210 -6.335 1.00 0.26 H new ATOM 0 HA GLU A 91 -19.318 6.441 -6.421 1.00 0.29 H new ATOM 0 HB2 GLU A 91 -19.845 8.526 -8.047 1.00 0.34 H new ATOM 0 HB3 GLU A 91 -18.410 7.917 -8.849 1.00 0.34 H new ATOM 0 HG2 GLU A 91 -19.289 5.929 -8.939 1.00 0.80 H new ATOM 0 HG3 GLU A 91 -20.717 6.510 -8.107 1.00 0.80 H new ATOM 1515 N GLU A 92 -16.333 7.449 -7.430 1.00 0.29 N ATOM 1516 CA GLU A 92 -14.963 7.005 -7.649 1.00 0.30 C ATOM 1517 C GLU A 92 -14.365 6.437 -6.367 1.00 0.28 C ATOM 1518 O GLU A 92 -13.735 5.382 -6.376 1.00 0.31 O ATOM 1519 CB GLU A 92 -14.104 8.162 -8.155 1.00 0.33 C ATOM 1520 CG GLU A 92 -12.784 7.732 -8.720 1.00 0.45 C ATOM 1521 CD GLU A 92 -12.325 8.377 -9.527 1.00 1.17 C ATOM 1522 OE1 GLU A 92 -12.168 8.625 -10.038 1.00 1.71 O ATOM 1523 OE2 GLU A 92 -12.124 8.633 -9.648 1.00 1.91 O ATOM 0 H GLU A 92 -16.486 8.444 -7.595 1.00 0.29 H new ATOM 0 HA GLU A 92 -14.979 6.218 -8.403 1.00 0.30 H new ATOM 0 HB2 GLU A 92 -14.657 8.705 -8.921 1.00 0.33 H new ATOM 0 HB3 GLU A 92 -13.928 8.858 -7.335 1.00 0.33 H new ATOM 0 HG2 GLU A 92 -12.072 7.666 -7.897 1.00 0.45 H new ATOM 0 HG3 GLU A 92 -12.902 6.725 -9.121 1.00 0.45 H new ATOM 1530 N ALA A 93 -14.568 7.145 -5.266 1.00 0.26 N ATOM 1531 CA ALA A 93 -14.051 6.712 -3.977 1.00 0.27 C ATOM 1532 C ALA A 93 -14.467 5.279 -3.672 1.00 0.27 C ATOM 1533 O ALA A 93 -13.633 4.438 -3.342 1.00 0.28 O ATOM 1534 CB ALA A 93 -14.527 7.648 -2.878 1.00 0.27 C ATOM 0 H ALA A 93 -15.087 8.022 -5.240 1.00 0.26 H new ATOM 0 HA ALA A 93 -12.962 6.744 -4.020 1.00 0.27 H new ATOM 0 HB1 ALA A 93 -14.133 7.313 -1.919 1.00 0.27 H new ATOM 0 HB2 ALA A 93 -14.173 8.659 -3.082 1.00 0.27 H new ATOM 0 HB3 ALA A 93 -15.616 7.645 -2.844 1.00 0.27 H new ATOM 1540 N GLN A 94 -15.760 5.008 -3.785 1.00 0.27 N ATOM 1541 CA GLN A 94 -16.286 3.675 -3.519 1.00 0.29 C ATOM 1542 C GLN A 94 -15.756 2.668 -4.534 1.00 0.29 C ATOM 1543 O GLN A 94 -15.492 1.515 -4.203 1.00 0.30 O ATOM 1544 CB GLN A 94 -17.813 3.693 -3.551 1.00 0.31 C ATOM 1545 CG GLN A 94 -18.441 3.369 -3.191 1.00 1.17 C ATOM 1546 CD GLN A 94 -19.629 3.136 -3.194 1.00 1.44 C ATOM 1547 OE1 GLN A 94 -20.031 3.113 -3.085 1.00 1.93 O ATOM 1548 NE2 GLN A 94 -20.197 2.961 -3.320 1.00 1.99 N ATOM 0 H GLN A 94 -16.464 5.693 -4.059 1.00 0.27 H new ATOM 0 HA GLN A 94 -15.953 3.371 -2.526 1.00 0.29 H new ATOM 0 HB2 GLN A 94 -18.019 4.756 -3.430 1.00 0.31 H new ATOM 0 HB3 GLN A 94 -18.010 3.446 -4.594 1.00 0.31 H new ATOM 0 HG2 GLN A 94 -18.064 2.354 -3.062 1.00 1.17 H new ATOM 0 HG3 GLN A 94 -18.362 3.864 -2.223 1.00 1.17 H new ATOM 0 HE21 GLN A 94 -20.399 2.476 -4.195 1.00 1.99 H new ATOM 0 HE22 GLN A 94 -20.948 3.152 -2.657 1.00 1.99 H new ATOM 1557 N THR A 95 -15.601 3.112 -5.772 1.00 0.29 N ATOM 1558 CA THR A 95 -15.105 2.249 -6.836 1.00 0.30 C ATOM 1559 C THR A 95 -13.722 1.704 -6.502 1.00 0.30 C ATOM 1560 O THR A 95 -13.490 0.496 -6.553 1.00 0.31 O ATOM 1561 CB THR A 95 -15.038 2.997 -8.178 1.00 0.32 C ATOM 1562 OG1 THR A 95 -16.335 3.486 -8.531 1.00 0.34 O ATOM 1563 CG2 THR A 95 -14.516 2.088 -9.278 1.00 0.34 C ATOM 0 H THR A 95 -15.811 4.066 -6.066 1.00 0.29 H new ATOM 0 HA THR A 95 -15.807 1.420 -6.924 1.00 0.30 H new ATOM 0 HB THR A 95 -14.352 3.837 -8.067 1.00 0.32 H new ATOM 0 HG1 THR A 95 -16.640 4.123 -7.852 1.00 0.34 H new ATOM 0 HG21 THR A 95 -14.477 2.639 -10.218 1.00 0.34 H new ATOM 0 HG22 THR A 95 -13.515 1.741 -9.019 1.00 0.34 H new ATOM 0 HG23 THR A 95 -15.180 1.231 -9.387 1.00 0.34 H new ATOM 1571 N LEU A 96 -12.807 2.601 -6.159 1.00 0.30 N ATOM 1572 CA LEU A 96 -11.446 2.209 -5.815 1.00 0.31 C ATOM 1573 C LEU A 96 -11.425 1.378 -4.539 1.00 0.31 C ATOM 1574 O LEU A 96 -10.726 0.369 -4.455 1.00 0.32 O ATOM 1575 CB LEU A 96 -10.566 3.448 -5.645 1.00 0.32 C ATOM 1576 CG LEU A 96 -10.294 4.257 -6.909 1.00 0.34 C ATOM 1577 CD1 LEU A 96 -9.500 5.508 -6.579 1.00 0.36 C ATOM 1578 CD2 LEU A 96 -9.561 3.411 -7.934 1.00 0.37 C ATOM 0 H LEU A 96 -12.982 3.605 -6.111 1.00 0.30 H new ATOM 0 HA LEU A 96 -11.053 1.600 -6.629 1.00 0.31 H new ATOM 0 HB2 LEU A 96 -11.036 4.104 -4.912 1.00 0.32 H new ATOM 0 HB3 LEU A 96 -9.610 3.135 -5.226 1.00 0.32 H new ATOM 0 HG LEU A 96 -11.249 4.561 -7.337 1.00 0.34 H new ATOM 0 HD11 LEU A 96 -9.315 6.073 -7.493 1.00 0.36 H new ATOM 0 HD12 LEU A 96 -10.065 6.124 -5.880 1.00 0.36 H new ATOM 0 HD13 LEU A 96 -8.549 5.227 -6.128 1.00 0.36 H new ATOM 0 HD21 LEU A 96 -9.375 4.004 -8.829 1.00 0.37 H new ATOM 0 HD22 LEU A 96 -8.611 3.076 -7.517 1.00 0.37 H new ATOM 0 HD23 LEU A 96 -10.169 2.544 -8.193 1.00 0.37 H new ATOM 1590 N SER A 97 -12.196 1.808 -3.548 1.00 0.31 N ATOM 1591 CA SER A 97 -12.265 1.104 -2.275 1.00 0.32 C ATOM 1592 C SER A 97 -12.752 -0.327 -2.471 1.00 0.32 C ATOM 1593 O SER A 97 -12.205 -1.266 -1.895 1.00 0.33 O ATOM 1594 CB SER A 97 -13.192 1.843 -1.311 1.00 0.35 C ATOM 1595 OG SER A 97 -13.976 1.648 -1.103 1.00 1.01 O ATOM 0 H SER A 97 -12.782 2.641 -3.602 1.00 0.31 H new ATOM 0 HA SER A 97 -11.262 1.072 -1.850 1.00 0.32 H new ATOM 0 HB2 SER A 97 -12.648 1.882 -0.367 1.00 0.35 H new ATOM 0 HB3 SER A 97 -13.244 2.863 -1.692 1.00 0.35 H new ATOM 0 HG SER A 97 -14.514 1.544 -1.916 1.00 1.01 H new ATOM 1601 N LYS A 98 -13.786 -0.486 -3.288 1.00 0.32 N ATOM 1602 CA LYS A 98 -14.348 -1.802 -3.563 1.00 0.33 C ATOM 1603 C LYS A 98 -13.328 -2.695 -4.261 1.00 0.31 C ATOM 1604 O LYS A 98 -13.100 -3.832 -3.850 1.00 0.33 O ATOM 1605 CB LYS A 98 -15.603 -1.671 -4.427 1.00 0.34 C ATOM 1606 CG LYS A 98 -16.832 -1.584 -3.703 1.00 0.55 C ATOM 1607 CD LYS A 98 -17.858 -1.625 -4.183 1.00 1.00 C ATOM 1608 CE LYS A 98 -18.511 -1.063 -4.243 1.00 1.76 C ATOM 1609 NZ LYS A 98 -19.012 -1.322 -4.580 1.00 2.56 N ATOM 0 H LYS A 98 -14.253 0.281 -3.772 1.00 0.32 H new ATOM 0 HA LYS A 98 -14.615 -2.262 -2.612 1.00 0.33 H new ATOM 0 HB2 LYS A 98 -15.504 -0.783 -5.052 1.00 0.34 H new ATOM 0 HB3 LYS A 98 -15.655 -2.529 -5.098 1.00 0.34 H new ATOM 0 HG2 LYS A 98 -16.809 -2.388 -2.968 1.00 0.55 H new ATOM 0 HG3 LYS A 98 -16.793 -0.645 -3.150 1.00 0.55 H new ATOM 0 HD2 LYS A 98 -17.644 -1.879 -5.221 1.00 1.00 H new ATOM 0 HD3 LYS A 98 -18.318 -2.502 -3.728 1.00 1.00 H new ATOM 0 HE2 LYS A 98 -18.846 -0.780 -3.245 1.00 1.76 H new ATOM 0 HE3 LYS A 98 -18.169 -0.152 -4.734 1.00 1.76 H new ATOM 0 HZ1 LYS A 98 -19.203 -0.740 -5.420 1.00 2.56 H new ATOM 0 HZ2 LYS A 98 -18.768 -2.289 -4.876 1.00 2.56 H new ATOM 0 HZ3 LYS A 98 -19.859 -1.348 -3.977 1.00 2.56 H new ATOM 1623 N ILE A 99 -12.716 -2.171 -5.316 1.00 0.30 N ATOM 1624 CA ILE A 99 -11.719 -2.921 -6.068 1.00 0.29 C ATOM 1625 C ILE A 99 -10.577 -3.376 -5.167 1.00 0.29 C ATOM 1626 O ILE A 99 -10.202 -4.547 -5.165 1.00 0.28 O ATOM 1627 CB ILE A 99 -11.143 -2.086 -7.225 1.00 0.30 C ATOM 1628 CG1 ILE A 99 -12.257 -1.672 -8.187 1.00 0.32 C ATOM 1629 CG2 ILE A 99 -10.066 -2.869 -7.958 1.00 0.31 C ATOM 1630 CD1 ILE A 99 -11.965 -0.391 -8.933 1.00 0.33 C ATOM 0 H ILE A 99 -12.893 -1.231 -5.669 1.00 0.30 H new ATOM 0 HA ILE A 99 -12.225 -3.795 -6.477 1.00 0.29 H new ATOM 0 HB ILE A 99 -10.691 -1.184 -6.813 1.00 0.30 H new ATOM 0 HG12 ILE A 99 -12.420 -2.473 -8.908 1.00 0.32 H new ATOM 0 HG13 ILE A 99 -13.184 -1.553 -7.627 1.00 0.32 H new ATOM 0 HG21 ILE A 99 -9.668 -2.265 -8.774 1.00 0.31 H new ATOM 0 HG22 ILE A 99 -9.262 -3.118 -7.265 1.00 0.31 H new ATOM 0 HG23 ILE A 99 -10.494 -3.787 -8.361 1.00 0.31 H new ATOM 0 HD11 ILE A 99 -12.798 -0.159 -9.597 1.00 0.33 H new ATOM 0 HD12 ILE A 99 -11.831 0.423 -8.220 1.00 0.33 H new ATOM 0 HD13 ILE A 99 -11.055 -0.512 -9.521 1.00 0.33 H new ATOM 1642 N LEU A 100 -10.028 -2.442 -4.401 1.00 0.33 N ATOM 1643 CA LEU A 100 -8.930 -2.747 -3.493 1.00 0.34 C ATOM 1644 C LEU A 100 -9.337 -3.811 -2.482 1.00 0.32 C ATOM 1645 O LEU A 100 -8.580 -4.734 -2.200 1.00 0.30 O ATOM 1646 CB LEU A 100 -8.480 -1.482 -2.765 1.00 0.39 C ATOM 1647 CG LEU A 100 -7.739 -1.399 -1.897 1.00 0.83 C ATOM 1648 CD1 LEU A 100 -7.367 -1.881 -1.135 1.00 1.18 C ATOM 1649 CD2 LEU A 100 -7.114 -1.135 -2.023 1.00 1.82 C ATOM 0 H LEU A 100 -10.325 -1.466 -4.390 1.00 0.33 H new ATOM 0 HA LEU A 100 -8.100 -3.134 -4.084 1.00 0.34 H new ATOM 0 HB2 LEU A 100 -8.082 -0.831 -3.543 1.00 0.39 H new ATOM 0 HB3 LEU A 100 -9.398 -1.020 -2.402 1.00 0.39 H new ATOM 0 HG LEU A 100 -8.757 -1.106 -1.642 1.00 0.83 H new ATOM 0 HD11 LEU A 100 -6.639 -1.250 -0.625 1.00 1.18 H new ATOM 0 HD12 LEU A 100 -8.168 -2.142 -0.444 1.00 1.18 H new ATOM 0 HD13 LEU A 100 -6.877 -2.790 -1.484 1.00 1.18 H new ATOM 0 HD21 LEU A 100 -6.531 -1.124 -1.102 1.00 1.82 H new ATOM 0 HD22 LEU A 100 -6.604 -1.746 -2.767 1.00 1.82 H new ATOM 0 HD23 LEU A 100 -7.218 -0.117 -2.399 1.00 1.82 H new ATOM 1661 N LEU A 101 -10.538 -3.676 -1.942 1.00 0.36 N ATOM 1662 CA LEU A 101 -11.047 -4.627 -0.963 1.00 0.36 C ATOM 1663 C LEU A 101 -11.071 -6.039 -1.536 1.00 0.33 C ATOM 1664 O LEU A 101 -10.616 -6.987 -0.899 1.00 0.32 O ATOM 1665 CB LEU A 101 -12.451 -4.223 -0.515 1.00 0.40 C ATOM 1666 CG LEU A 101 -12.561 -3.442 0.736 1.00 0.50 C ATOM 1667 CD1 LEU A 101 -13.440 -3.396 1.162 1.00 1.21 C ATOM 1668 CD2 LEU A 101 -11.973 -3.580 1.683 1.00 0.84 C ATOM 0 H LEU A 101 -11.181 -2.916 -2.165 1.00 0.36 H new ATOM 0 HA LEU A 101 -10.379 -4.616 -0.102 1.00 0.36 H new ATOM 0 HB2 LEU A 101 -12.908 -3.643 -1.317 1.00 0.40 H new ATOM 0 HB3 LEU A 101 -13.044 -5.131 -0.400 1.00 0.40 H new ATOM 0 HG LEU A 101 -12.152 -2.621 0.147 1.00 0.50 H new ATOM 0 HD11 LEU A 101 -13.374 -2.793 2.067 1.00 1.21 H new ATOM 0 HD12 LEU A 101 -14.154 -2.942 0.475 1.00 1.21 H new ATOM 0 HD13 LEU A 101 -13.773 -4.402 1.419 1.00 1.21 H new ATOM 0 HD21 LEU A 101 -12.292 -2.843 2.420 1.00 0.84 H new ATOM 0 HD22 LEU A 101 -12.144 -4.583 2.075 1.00 0.84 H new ATOM 0 HD23 LEU A 101 -10.911 -3.448 1.475 1.00 0.84 H new ATOM 1680 N LYS A 102 -11.604 -6.172 -2.745 1.00 0.32 N ATOM 1681 CA LYS A 102 -11.685 -7.467 -3.407 1.00 0.31 C ATOM 1682 C LYS A 102 -10.297 -8.071 -3.593 1.00 0.29 C ATOM 1683 O LYS A 102 -10.053 -9.217 -3.219 1.00 0.29 O ATOM 1684 CB LYS A 102 -12.377 -7.326 -4.763 1.00 0.31 C ATOM 1685 CG LYS A 102 -13.229 -7.913 -5.080 1.00 1.04 C ATOM 1686 CD LYS A 102 -13.601 -7.743 -6.459 1.00 1.28 C ATOM 1687 CE LYS A 102 -13.289 -6.857 -7.245 1.00 1.43 C ATOM 1688 NZ LYS A 102 -13.800 -6.980 -8.254 1.00 2.02 N ATOM 0 H LYS A 102 -11.987 -5.397 -3.287 1.00 0.32 H new ATOM 0 HA LYS A 102 -12.270 -8.135 -2.775 1.00 0.31 H new ATOM 0 HB2 LYS A 102 -12.684 -6.283 -4.838 1.00 0.31 H new ATOM 0 HB3 LYS A 102 -11.604 -7.486 -5.515 1.00 0.31 H new ATOM 0 HG2 LYS A 102 -13.012 -8.967 -4.904 1.00 1.04 H new ATOM 0 HG3 LYS A 102 -14.083 -7.655 -4.454 1.00 1.04 H new ATOM 0 HD2 LYS A 102 -13.290 -8.667 -6.946 1.00 1.28 H new ATOM 0 HD3 LYS A 102 -14.691 -7.737 -6.453 1.00 1.28 H new ATOM 0 HE2 LYS A 102 -13.553 -5.888 -6.821 1.00 1.43 H new ATOM 0 HE3 LYS A 102 -12.208 -6.861 -7.384 1.00 1.43 H new ATOM 0 HZ1 LYS A 102 -13.109 -7.318 -8.954 1.00 2.02 H new ATOM 0 HZ2 LYS A 102 -14.573 -7.670 -8.170 1.00 2.02 H new ATOM 0 HZ3 LYS A 102 -14.185 -6.064 -8.562 1.00 2.02 H new ATOM 1702 N ASP A 103 -9.392 -7.292 -4.170 1.00 0.29 N ATOM 1703 CA ASP A 103 -8.028 -7.750 -4.403 1.00 0.28 C ATOM 1704 C ASP A 103 -7.377 -8.202 -3.102 1.00 0.29 C ATOM 1705 O ASP A 103 -6.728 -9.246 -3.050 1.00 0.29 O ATOM 1706 CB ASP A 103 -7.199 -6.639 -5.042 1.00 0.32 C ATOM 1707 CG ASP A 103 -6.918 -6.826 -6.373 1.00 0.68 C ATOM 1708 OD1 ASP A 103 -6.878 -6.862 -7.057 1.00 1.21 O ATOM 1709 OD2 ASP A 103 -6.739 -6.936 -6.731 1.00 1.52 O ATOM 0 H ASP A 103 -9.577 -6.340 -4.486 1.00 0.29 H new ATOM 0 HA ASP A 103 -8.068 -8.601 -5.083 1.00 0.28 H new ATOM 0 HB2 ASP A 103 -7.731 -5.695 -4.926 1.00 0.32 H new ATOM 0 HB3 ASP A 103 -6.260 -6.545 -4.496 1.00 0.32 H new ATOM 1714 N LEU A 104 -7.553 -7.411 -2.053 1.00 0.31 N ATOM 1715 CA LEU A 104 -6.981 -7.729 -0.751 1.00 0.34 C ATOM 1716 C LEU A 104 -7.499 -9.068 -0.242 1.00 0.33 C ATOM 1717 O LEU A 104 -6.731 -9.918 0.199 1.00 0.35 O ATOM 1718 CB LEU A 104 -7.311 -6.626 0.254 1.00 0.38 C ATOM 1719 CG LEU A 104 -6.402 -6.152 1.052 1.00 0.65 C ATOM 1720 CD1 LEU A 104 -5.868 -5.479 1.018 1.00 1.45 C ATOM 1721 CD2 LEU A 104 -6.405 -5.764 1.937 1.00 1.17 C ATOM 0 H LEU A 104 -8.088 -6.543 -2.078 1.00 0.31 H new ATOM 0 HA LEU A 104 -5.899 -7.799 -0.863 1.00 0.34 H new ATOM 0 HB2 LEU A 104 -7.706 -5.784 -0.315 1.00 0.38 H new ATOM 0 HB3 LEU A 104 -8.123 -6.997 0.880 1.00 0.38 H new ATOM 0 HG LEU A 104 -6.299 -7.186 0.721 1.00 0.65 H new ATOM 0 HD11 LEU A 104 -5.259 -5.451 1.922 1.00 1.45 H new ATOM 0 HD12 LEU A 104 -5.220 -5.573 0.147 1.00 1.45 H new ATOM 0 HD13 LEU A 104 -6.447 -4.559 0.942 1.00 1.45 H new ATOM 0 HD21 LEU A 104 -5.387 -5.500 2.222 1.00 1.17 H new ATOM 0 HD22 LEU A 104 -7.026 -4.868 1.939 1.00 1.17 H new ATOM 0 HD23 LEU A 104 -6.806 -6.485 2.649 1.00 1.17 H new ATOM 1733 N LYS A 105 -8.807 -9.250 -0.308 1.00 0.33 N ATOM 1734 CA LYS A 105 -9.430 -10.487 0.143 1.00 0.34 C ATOM 1735 C LYS A 105 -8.846 -11.689 -0.590 1.00 0.30 C ATOM 1736 O LYS A 105 -8.500 -12.694 0.025 1.00 0.30 O ATOM 1737 CB LYS A 105 -10.940 -10.427 -0.074 1.00 0.37 C ATOM 1738 CG LYS A 105 -11.693 -9.932 0.907 1.00 0.69 C ATOM 1739 CD LYS A 105 -12.501 -9.586 1.221 1.00 1.06 C ATOM 1740 CE LYS A 105 -13.406 -9.916 1.494 1.00 1.66 C ATOM 1741 NZ LYS A 105 -14.078 -9.851 1.787 1.00 2.17 N ATOM 0 H LYS A 105 -9.461 -8.556 -0.670 1.00 0.33 H new ATOM 0 HA LYS A 105 -9.227 -10.601 1.208 1.00 0.34 H new ATOM 0 HB2 LYS A 105 -11.125 -9.834 -0.969 1.00 0.37 H new ATOM 0 HB3 LYS A 105 -11.288 -11.438 -0.284 1.00 0.37 H new ATOM 0 HG2 LYS A 105 -11.571 -10.740 1.628 1.00 0.69 H new ATOM 0 HG3 LYS A 105 -11.036 -9.122 1.223 1.00 0.69 H new ATOM 0 HD2 LYS A 105 -12.184 -9.032 2.104 1.00 1.06 H new ATOM 0 HD3 LYS A 105 -12.748 -8.851 0.455 1.00 1.06 H new ATOM 0 HE2 LYS A 105 -13.712 -10.309 0.524 1.00 1.66 H new ATOM 0 HE3 LYS A 105 -13.073 -10.765 2.091 1.00 1.66 H new ATOM 0 HZ1 LYS A 105 -14.767 -10.350 1.189 1.00 2.17 H new ATOM 0 HZ2 LYS A 105 -14.083 -10.266 2.741 1.00 2.17 H new ATOM 0 HZ3 LYS A 105 -14.335 -8.845 1.846 1.00 2.17 H new ATOM 1755 N GLU A 106 -8.740 -11.577 -1.905 1.00 0.30 N ATOM 1756 CA GLU A 106 -8.198 -12.656 -2.720 1.00 0.28 C ATOM 1757 C GLU A 106 -6.771 -12.990 -2.301 1.00 0.27 C ATOM 1758 O GLU A 106 -6.415 -14.154 -2.140 1.00 0.31 O ATOM 1759 CB GLU A 106 -8.231 -12.271 -4.198 1.00 0.28 C ATOM 1760 CG GLU A 106 -8.190 -13.317 -5.100 1.00 0.58 C ATOM 1761 CD GLU A 106 -8.948 -13.505 -5.714 1.00 1.32 C ATOM 1762 OE1 GLU A 106 -9.256 -13.462 -6.028 1.00 1.92 O ATOM 1763 OE2 GLU A 106 -9.233 -13.696 -5.880 1.00 2.08 O ATOM 0 H GLU A 106 -9.022 -10.750 -2.432 1.00 0.30 H new ATOM 0 HA GLU A 106 -8.818 -13.540 -2.568 1.00 0.28 H new ATOM 0 HB2 GLU A 106 -9.138 -11.695 -4.382 1.00 0.28 H new ATOM 0 HB3 GLU A 106 -7.387 -11.611 -4.399 1.00 0.28 H new ATOM 0 HG2 GLU A 106 -7.309 -13.163 -5.723 1.00 0.58 H new ATOM 0 HG3 GLU A 106 -8.017 -14.226 -4.523 1.00 0.58 H new ATOM 1770 N THR A 107 -5.957 -11.961 -2.127 1.00 0.26 N ATOM 1771 CA THR A 107 -4.569 -12.144 -1.729 1.00 0.28 C ATOM 1772 C THR A 107 -4.469 -12.904 -0.413 1.00 0.30 C ATOM 1773 O THR A 107 -3.752 -13.897 -0.314 1.00 0.30 O ATOM 1774 CB THR A 107 -3.845 -10.795 -1.584 1.00 0.30 C ATOM 1775 OG1 THR A 107 -4.353 -9.900 -2.148 1.00 0.80 O ATOM 1776 CG2 THR A 107 -2.659 -10.769 -1.976 1.00 0.89 C ATOM 0 H THR A 107 -6.234 -10.988 -2.255 1.00 0.26 H new ATOM 0 HA THR A 107 -4.089 -12.724 -2.517 1.00 0.28 H new ATOM 0 HB THR A 107 -3.901 -10.681 -0.501 1.00 0.30 H new ATOM 0 HG1 THR A 107 -5.175 -9.643 -1.681 1.00 0.80 H new ATOM 0 HG21 THR A 107 -2.248 -9.770 -1.827 1.00 0.89 H new ATOM 0 HG22 THR A 107 -2.072 -11.491 -1.409 1.00 0.89 H new ATOM 0 HG23 THR A 107 -2.620 -11.022 -3.035 1.00 0.89 H new ATOM 1784 N GLU A 108 -5.194 -12.432 0.592 1.00 0.34 N ATOM 1785 CA GLU A 108 -5.186 -13.069 1.902 1.00 0.38 C ATOM 1786 C GLU A 108 -5.601 -14.531 1.800 1.00 0.35 C ATOM 1787 O GLU A 108 -4.970 -15.405 2.384 1.00 0.37 O ATOM 1788 CB GLU A 108 -6.120 -12.329 2.856 1.00 0.46 C ATOM 1789 CG GLU A 108 -6.357 -12.335 3.673 1.00 1.12 C ATOM 1790 CD GLU A 108 -6.699 -11.864 4.565 1.00 1.51 C ATOM 1791 OE1 GLU A 108 -6.841 -11.511 4.989 1.00 2.09 O ATOM 1792 OE2 GLU A 108 -6.825 -11.848 4.839 1.00 2.07 O ATOM 0 H GLU A 108 -5.795 -11.611 0.525 1.00 0.34 H new ATOM 0 HA GLU A 108 -4.169 -13.026 2.292 1.00 0.38 H new ATOM 0 HB2 GLU A 108 -5.795 -11.297 2.728 1.00 0.46 H new ATOM 0 HB3 GLU A 108 -7.079 -12.427 2.347 1.00 0.46 H new ATOM 0 HG2 GLU A 108 -7.128 -13.102 3.602 1.00 1.12 H new ATOM 0 HG3 GLU A 108 -5.468 -12.813 4.085 1.00 1.12 H new ATOM 1799 N GLN A 109 -6.666 -14.787 1.054 1.00 0.34 N ATOM 1800 CA GLN A 109 -7.166 -16.143 0.876 1.00 0.33 C ATOM 1801 C GLN A 109 -6.084 -17.052 0.308 1.00 0.29 C ATOM 1802 O GLN A 109 -5.849 -18.143 0.815 1.00 0.29 O ATOM 1803 CB GLN A 109 -8.383 -16.142 -0.047 1.00 0.35 C ATOM 1804 CG GLN A 109 -9.352 -16.940 0.202 1.00 0.79 C ATOM 1805 CD GLN A 109 -10.210 -17.299 0.082 1.00 1.19 C ATOM 1806 OE1 GLN A 109 -10.617 -17.109 -0.527 1.00 1.73 O ATOM 1807 NE2 GLN A 109 -10.490 -17.823 0.663 1.00 1.83 N ATOM 0 H GLN A 109 -7.202 -14.072 0.561 1.00 0.34 H new ATOM 0 HA GLN A 109 -7.460 -16.526 1.853 1.00 0.33 H new ATOM 0 HB2 GLN A 109 -8.786 -15.129 -0.059 1.00 0.35 H new ATOM 0 HB3 GLN A 109 -8.031 -16.357 -1.056 1.00 0.35 H new ATOM 0 HG2 GLN A 109 -8.795 -17.872 0.103 1.00 0.79 H new ATOM 0 HG3 GLN A 109 -9.436 -16.730 1.268 1.00 0.79 H new ATOM 0 HE21 GLN A 109 -9.907 -18.051 1.468 1.00 1.83 H new ATOM 0 HE22 GLN A 109 -11.417 -18.238 0.571 1.00 1.83 H new ATOM 1816 N LYS A 110 -5.428 -16.595 -0.749 1.00 0.28 N ATOM 1817 CA LYS A 110 -4.370 -17.365 -1.387 1.00 0.25 C ATOM 1818 C LYS A 110 -3.248 -17.669 -0.402 1.00 0.26 C ATOM 1819 O LYS A 110 -2.797 -18.807 -0.291 1.00 0.28 O ATOM 1820 CB LYS A 110 -3.814 -16.605 -2.589 1.00 0.23 C ATOM 1821 CG LYS A 110 -4.344 -16.899 -3.797 1.00 0.60 C ATOM 1822 CD LYS A 110 -4.707 -16.933 -4.580 1.00 1.16 C ATOM 1823 CE LYS A 110 -5.535 -17.062 -5.577 1.00 1.18 C ATOM 1824 NZ LYS A 110 -5.638 -17.290 -6.162 1.00 2.00 N ATOM 0 H LYS A 110 -5.611 -15.691 -1.184 1.00 0.28 H new ATOM 0 HA LYS A 110 -4.797 -18.309 -1.727 1.00 0.25 H new ATOM 0 HB2 LYS A 110 -3.951 -15.539 -2.409 1.00 0.23 H new ATOM 0 HB3 LYS A 110 -2.740 -16.785 -2.637 1.00 0.23 H new ATOM 0 HG2 LYS A 110 -3.455 -17.440 -4.121 1.00 0.60 H new ATOM 0 HG3 LYS A 110 -5.031 -17.636 -3.382 1.00 0.60 H new ATOM 0 HD2 LYS A 110 -4.378 -15.935 -4.870 1.00 1.16 H new ATOM 0 HD3 LYS A 110 -3.979 -17.638 -4.981 1.00 1.16 H new ATOM 0 HE2 LYS A 110 -6.380 -17.511 -5.055 1.00 1.18 H new ATOM 0 HE3 LYS A 110 -5.784 -16.014 -5.744 1.00 1.18 H new ATOM 0 HZ1 LYS A 110 -6.504 -16.867 -6.552 1.00 2.00 H new ATOM 0 HZ2 LYS A 110 -4.831 -17.053 -6.774 1.00 2.00 H new ATOM 0 HZ3 LYS A 110 -5.747 -18.323 -6.118 1.00 2.00 H new ATOM 1838 N VAL A 111 -2.802 -16.644 0.313 1.00 0.29 N ATOM 1839 CA VAL A 111 -1.735 -16.802 1.291 1.00 0.33 C ATOM 1840 C VAL A 111 -2.105 -17.832 2.349 1.00 0.34 C ATOM 1841 O VAL A 111 -1.308 -18.689 2.701 1.00 0.37 O ATOM 1842 CB VAL A 111 -1.409 -15.469 1.982 1.00 0.40 C ATOM 1843 CG1 VAL A 111 -0.662 -15.523 2.993 1.00 0.73 C ATOM 1844 CG2 VAL A 111 -0.883 -14.605 1.260 1.00 0.75 C ATOM 0 H VAL A 111 -3.164 -15.694 0.233 1.00 0.29 H new ATOM 0 HA VAL A 111 -0.856 -17.147 0.746 1.00 0.33 H new ATOM 0 HB VAL A 111 -2.425 -15.197 2.269 1.00 0.40 H new ATOM 0 HG11 VAL A 111 -0.509 -14.518 3.387 1.00 0.73 H new ATOM 0 HG12 VAL A 111 -1.128 -16.145 3.757 1.00 0.73 H new ATOM 0 HG13 VAL A 111 0.300 -15.953 2.712 1.00 0.73 H new ATOM 0 HG21 VAL A 111 -0.695 -13.706 1.847 1.00 0.75 H new ATOM 0 HG22 VAL A 111 0.060 -14.985 0.866 1.00 0.75 H new ATOM 0 HG23 VAL A 111 -1.551 -14.366 0.433 1.00 0.75 H new ATOM 1854 N LYS A 112 -3.320 -17.742 2.853 1.00 0.40 N ATOM 1855 CA LYS A 112 -3.799 -18.666 3.870 1.00 0.45 C ATOM 1856 C LYS A 112 -3.981 -20.062 3.296 1.00 0.39 C ATOM 1857 O LYS A 112 -3.866 -21.055 4.010 1.00 0.40 O ATOM 1858 CB LYS A 112 -5.117 -18.170 4.454 1.00 0.54 C ATOM 1859 CG LYS A 112 -5.524 -17.505 4.770 1.00 0.95 C ATOM 1860 CD LYS A 112 -6.739 -16.647 4.789 1.00 0.83 C ATOM 1861 CE LYS A 112 -7.741 -17.135 5.496 1.00 0.77 C ATOM 1862 NZ LYS A 112 -7.925 -17.484 6.361 1.00 1.34 N ATOM 0 H LYS A 112 -4.000 -17.034 2.574 1.00 0.40 H new ATOM 0 HA LYS A 112 -3.051 -18.714 4.662 1.00 0.45 H new ATOM 0 HB2 LYS A 112 -5.804 -18.459 3.658 1.00 0.54 H new ATOM 0 HB3 LYS A 112 -5.252 -18.885 5.266 1.00 0.54 H new ATOM 0 HG2 LYS A 112 -5.472 -17.756 5.829 1.00 0.95 H new ATOM 0 HG3 LYS A 112 -4.772 -16.738 4.587 1.00 0.95 H new ATOM 0 HD2 LYS A 112 -6.472 -15.669 5.188 1.00 0.83 H new ATOM 0 HD3 LYS A 112 -7.075 -16.492 3.764 1.00 0.83 H new ATOM 0 HE2 LYS A 112 -8.474 -16.331 5.423 1.00 0.77 H new ATOM 0 HE3 LYS A 112 -8.090 -17.944 4.854 1.00 0.77 H new ATOM 0 HZ1 LYS A 112 -8.929 -17.336 6.589 1.00 1.34 H new ATOM 0 HZ2 LYS A 112 -7.712 -18.502 6.377 1.00 1.34 H new ATOM 0 HZ3 LYS A 112 -7.335 -16.996 7.065 1.00 1.34 H new ATOM 1876 N ASP A 113 -4.263 -20.130 2.002 1.00 0.36 N ATOM 1877 CA ASP A 113 -4.458 -21.404 1.331 1.00 0.34 C ATOM 1878 C ASP A 113 -3.149 -22.175 1.237 1.00 0.29 C ATOM 1879 O ASP A 113 -3.100 -23.371 1.517 1.00 0.31 O ATOM 1880 CB ASP A 113 -5.037 -21.183 -0.064 1.00 0.35 C ATOM 1881 CG ASP A 113 -5.529 -22.204 -0.656 1.00 0.72 C ATOM 1882 OD1 ASP A 113 -5.706 -22.719 -0.822 1.00 1.40 O ATOM 1883 OD2 ASP A 113 -5.736 -22.489 -0.954 1.00 1.59 O ATOM 0 H ASP A 113 -4.362 -19.315 1.397 1.00 0.36 H new ATOM 0 HA ASP A 113 -5.162 -21.993 1.919 1.00 0.34 H new ATOM 0 HB2 ASP A 113 -5.817 -20.425 0.009 1.00 0.35 H new ATOM 0 HB3 ASP A 113 -4.250 -20.771 -0.696 1.00 0.35 H new ATOM 1888 N ILE A 114 -2.092 -21.482 0.840 1.00 0.26 N ATOM 1889 CA ILE A 114 -0.784 -22.101 0.709 1.00 0.26 C ATOM 1890 C ILE A 114 -0.345 -22.744 2.017 1.00 0.27 C ATOM 1891 O ILE A 114 -0.358 -22.112 3.061 1.00 0.33 O ATOM 1892 CB ILE A 114 0.277 -21.080 0.270 1.00 0.28 C ATOM 1893 CG1 ILE A 114 0.285 -20.942 -1.248 1.00 0.31 C ATOM 1894 CG2 ILE A 114 1.646 -21.491 0.776 1.00 0.33 C ATOM 1895 CD1 ILE A 114 -0.658 -19.971 -1.767 1.00 0.51 C ATOM 0 H ILE A 114 -2.116 -20.490 0.603 1.00 0.26 H new ATOM 0 HA ILE A 114 -0.875 -22.872 -0.057 1.00 0.26 H new ATOM 0 HB ILE A 114 0.027 -20.111 0.702 1.00 0.28 H new ATOM 0 HG12 ILE A 114 1.288 -20.663 -1.570 1.00 0.31 H new ATOM 0 HG13 ILE A 114 0.067 -21.914 -1.690 1.00 0.31 H new ATOM 0 HG21 ILE A 114 2.387 -20.758 0.457 1.00 0.33 H new ATOM 0 HG22 ILE A 114 1.631 -21.542 1.865 1.00 0.33 H new ATOM 0 HG23 ILE A 114 1.905 -22.469 0.371 1.00 0.33 H new ATOM 0 HD11 ILE A 114 -0.585 -19.938 -2.854 1.00 0.51 H new ATOM 0 HD12 ILE A 114 -1.670 -20.257 -1.480 1.00 0.51 H new ATOM 0 HD13 ILE A 114 -0.429 -18.987 -1.358 1.00 0.51 H new ATOM 1907 N GLN A 115 0.043 -24.003 1.953 1.00 0.30 N ATOM 1908 CA GLN A 115 0.486 -24.732 3.133 1.00 0.34 C ATOM 1909 C GLN A 115 1.990 -24.593 3.326 1.00 0.33 C ATOM 1910 O GLN A 115 2.760 -24.700 2.377 1.00 0.34 O ATOM 1911 CB GLN A 115 0.112 -26.207 3.018 1.00 0.38 C ATOM 1912 CG GLN A 115 0.689 -26.885 1.796 1.00 0.37 C ATOM 1913 CD GLN A 115 0.273 -27.917 1.449 1.00 0.99 C ATOM 1914 OE1 GLN A 115 -0.390 -28.077 1.521 1.00 1.70 O ATOM 1915 NE2 GLN A 115 0.662 -28.624 1.069 1.00 1.45 N ATOM 0 H GLN A 115 0.061 -24.548 1.091 1.00 0.30 H new ATOM 0 HA GLN A 115 -0.015 -24.304 4.001 1.00 0.34 H new ATOM 0 HB2 GLN A 115 0.456 -26.731 3.910 1.00 0.38 H new ATOM 0 HB3 GLN A 115 -0.974 -26.297 2.994 1.00 0.38 H new ATOM 0 HG2 GLN A 115 0.579 -26.194 0.960 1.00 0.37 H new ATOM 0 HG3 GLN A 115 1.758 -27.008 1.969 1.00 0.37 H new ATOM 0 HE21 GLN A 115 1.661 -28.608 0.865 1.00 1.45 H new ATOM 0 HE22 GLN A 115 0.107 -29.448 0.838 1.00 1.45 H new ATOM 1924 N THR A 116 2.403 -24.353 4.563 1.00 0.36 N ATOM 1925 CA THR A 116 3.814 -24.198 4.881 1.00 0.38 C ATOM 1926 C THR A 116 4.128 -24.741 6.261 1.00 0.46 C ATOM 1927 O THR A 116 3.238 -25.151 6.983 1.00 0.52 O ATOM 1928 CB THR A 116 4.247 -22.729 4.814 1.00 0.37 C ATOM 1929 OG1 THR A 116 3.573 -21.981 5.807 1.00 0.46 O ATOM 1930 CG2 THR A 116 3.956 -22.146 3.457 1.00 0.38 C ATOM 0 H THR A 116 1.778 -24.261 5.364 1.00 0.36 H new ATOM 0 HA THR A 116 4.368 -24.767 4.134 1.00 0.38 H new ATOM 0 HB THR A 116 5.322 -22.682 4.990 1.00 0.37 H new ATOM 0 HG1 THR A 116 2.916 -21.391 5.382 1.00 0.46 H new ATOM 0 HG21 THR A 116 4.272 -21.103 3.434 1.00 0.38 H new ATOM 0 HG22 THR A 116 4.499 -22.707 2.696 1.00 0.38 H new ATOM 0 HG23 THR A 116 2.886 -22.206 3.257 1.00 0.38 H new ATOM 1938 N GLN A 117 5.400 -24.740 6.621 1.00 0.50 N ATOM 1939 CA GLN A 117 5.831 -25.234 7.916 1.00 0.59 C ATOM 1940 C GLN A 117 5.583 -24.512 8.863 1.00 1.19 C ATOM 1941 O GLN A 117 5.781 -24.408 9.513 1.00 1.75 O ATOM 1942 CB GLN A 117 7.027 -25.460 8.010 1.00 1.08 C ATOM 1943 CG GLN A 117 7.149 -26.402 8.222 1.00 1.83 C ATOM 1944 CD GLN A 117 7.297 -26.732 8.931 1.00 2.47 C ATOM 1945 OE1 GLN A 117 7.522 -26.487 9.140 1.00 3.00 O ATOM 1946 NE2 GLN A 117 7.172 -27.291 9.306 1.00 3.09 N ATOM 0 H GLN A 117 6.157 -24.399 6.029 1.00 0.50 H new ATOM 0 HA GLN A 117 5.244 -26.151 7.961 1.00 0.59 H new ATOM 0 HB2 GLN A 117 7.533 -25.214 7.077 1.00 1.08 H new ATOM 0 HB3 GLN A 117 7.470 -24.837 8.787 1.00 1.08 H new ATOM 0 HG2 GLN A 117 6.243 -26.892 7.865 1.00 1.83 H new ATOM 0 HG3 GLN A 117 7.965 -26.733 7.580 1.00 1.83 H new ATOM 0 HE21 GLN A 117 6.599 -28.044 8.924 1.00 3.09 H new ATOM 0 HE22 GLN A 117 7.558 -27.371 10.247 1.00 3.09 H new TER 1955 GLN A 117