USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 944 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 THR OG1 : rot 121:sc= 0.198 USER MOD Set 1.2: A 83 HIS : no HD1:sc= -0.228 K(o=-0.03,f=-1.1) USER MOD Single : A 11 SER OG : rot 29:sc= 0.961 USER MOD Single : A 15 ASN : amide:sc= -0.0788 K(o=-0.079,f=-0.94) USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 THR OG1 : rot -138:sc= 1.22 USER MOD Single : A 24 ASN : amide:sc= 0.364 K(o=0.36,f=-3.3!) USER MOD Single : A 37 THR OG1 : rot 87:sc= 1.09 USER MOD Single : A 46 HIS : no HD1:sc= -0.864 K(o=-0.86,f=-2.3!) USER MOD Single : A 50 MET CE :methyl -175:sc= 0 (180deg=-0.0375) USER MOD Single : A 56 LYS NZ :NH3+ 169:sc= 0.273 (180deg=-0.404) USER MOD Single : A 57 LYS NZ :NH3+ 132:sc= 1.4 (180deg=0.637) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -176:sc= 0 (180deg=-0.00355) USER MOD Single : A 72 LYS NZ :NH3+ -162:sc= -0.59! (180deg=-0.954!) USER MOD Single : A 78 LYS NZ :NH3+ -161:sc= 1.28 (180deg=1.12) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -143:sc= -0.602 (180deg=-0.782) USER MOD Single : A 90 LYS NZ :NH3+ 159:sc= 0.00502! (180deg=-0.92!) USER MOD Single : A 94 LYS NZ :NH3+ 172:sc= 1.71 (180deg=1.65) USER MOD Single : A 109 LYS NZ :NH3+ -168:sc= 1.68 (180deg=1.4) USER MOD Single : A 112 LYS NZ :NH3+ 134:sc= -0.0569 (180deg=-0.435!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 10.430 -4.073 -3.602 1.00 2.66 N ATOM 56 CA GLU A 5 10.730 -4.085 -2.170 1.00 1.26 C ATOM 57 C GLU A 5 9.452 -3.779 -1.380 1.00 1.20 C ATOM 58 O GLU A 5 8.616 -3.011 -1.863 1.00 2.29 O ATOM 59 CB GLU A 5 11.865 -3.084 -1.869 1.00 2.21 C ATOM 60 CG GLU A 5 12.455 -3.217 -0.460 1.00 3.23 C ATOM 61 CD GLU A 5 12.907 -4.649 -0.198 1.00 3.87 C ATOM 62 OE1 GLU A 5 14.045 -4.993 -0.602 1.00 4.33 O ATOM 63 OE2 GLU A 5 12.074 -5.409 0.333 1.00 4.75 O ATOM 0 HA GLU A 5 11.079 -5.071 -1.861 1.00 1.26 H new ATOM 0 HB2 GLU A 5 12.661 -3.223 -2.600 1.00 2.21 H new ATOM 0 HB3 GLU A 5 11.486 -2.070 -1.999 1.00 2.21 H new ATOM 0 HG2 GLU A 5 13.300 -2.538 -0.349 1.00 3.23 H new ATOM 0 HG3 GLU A 5 11.711 -2.924 0.280 1.00 3.23 H new ATOM 70 N GLY A 6 9.269 -4.386 -0.204 1.00 0.86 N ATOM 71 CA GLY A 6 8.086 -4.184 0.643 1.00 0.90 C ATOM 72 C GLY A 6 7.768 -5.352 1.575 1.00 0.84 C ATOM 73 O GLY A 6 8.460 -6.364 1.567 1.00 1.01 O ATOM 0 H GLY A 6 9.945 -5.039 0.193 1.00 0.86 H new ATOM 0 HA2 GLY A 6 8.233 -3.286 1.243 1.00 0.90 H new ATOM 0 HA3 GLY A 6 7.223 -4.001 0.003 1.00 0.90 H new ATOM 77 N TRP A 7 6.693 -5.217 2.358 1.00 0.73 N ATOM 78 CA TRP A 7 6.209 -6.247 3.277 1.00 0.69 C ATOM 79 C TRP A 7 4.738 -6.060 3.670 1.00 0.64 C ATOM 80 O TRP A 7 4.215 -4.945 3.738 1.00 0.69 O ATOM 81 CB TRP A 7 7.103 -6.342 4.526 1.00 0.79 C ATOM 82 CG TRP A 7 7.207 -5.143 5.418 1.00 0.87 C ATOM 83 CD1 TRP A 7 6.542 -4.984 6.584 1.00 0.92 C ATOM 84 CD2 TRP A 7 8.110 -3.995 5.318 1.00 1.08 C ATOM 85 NE1 TRP A 7 7.046 -3.891 7.254 1.00 1.10 N ATOM 86 CE2 TRP A 7 7.971 -3.208 6.499 1.00 1.25 C ATOM 87 CE3 TRP A 7 9.066 -3.557 4.374 1.00 1.28 C ATOM 88 CZ2 TRP A 7 8.715 -2.039 6.724 1.00 1.61 C ATOM 89 CZ3 TRP A 7 9.807 -2.378 4.577 1.00 1.65 C ATOM 90 CH2 TRP A 7 9.628 -1.614 5.745 1.00 1.81 C ATOM 0 H TRP A 7 6.125 -4.370 2.369 1.00 0.73 H new ATOM 0 HA TRP A 7 6.267 -7.191 2.734 1.00 0.69 H new ATOM 0 HB2 TRP A 7 6.743 -7.175 5.130 1.00 0.79 H new ATOM 0 HB3 TRP A 7 8.109 -6.599 4.196 1.00 0.79 H new ATOM 0 HD1 TRP A 7 5.740 -5.616 6.936 1.00 0.92 H new ATOM 0 HE1 TRP A 7 6.767 -3.621 8.197 1.00 1.10 H new ATOM 0 HE3 TRP A 7 9.231 -4.139 3.479 1.00 1.28 H new ATOM 0 HZ2 TRP A 7 8.587 -1.475 7.636 1.00 1.61 H new ATOM 0 HZ3 TRP A 7 10.519 -2.057 3.831 1.00 1.65 H new ATOM 0 HH2 TRP A 7 10.191 -0.704 5.888 1.00 1.81 H new ATOM 101 N VAL A 8 4.089 -7.178 3.990 1.00 0.65 N ATOM 102 CA VAL A 8 2.795 -7.189 4.673 1.00 0.69 C ATOM 103 C VAL A 8 3.048 -7.268 6.173 1.00 0.75 C ATOM 104 O VAL A 8 3.879 -8.045 6.638 1.00 0.85 O ATOM 105 CB VAL A 8 1.878 -8.325 4.179 1.00 0.83 C ATOM 106 CG1 VAL A 8 0.563 -8.364 4.975 1.00 0.98 C ATOM 107 CG2 VAL A 8 1.546 -8.057 2.702 1.00 0.90 C ATOM 0 H VAL A 8 4.449 -8.109 3.781 1.00 0.65 H new ATOM 0 HA VAL A 8 2.259 -6.269 4.441 1.00 0.69 H new ATOM 0 HB VAL A 8 2.390 -9.278 4.311 1.00 0.83 H new ATOM 0 HG11 VAL A 8 -0.063 -9.175 4.604 1.00 0.98 H new ATOM 0 HG12 VAL A 8 0.781 -8.528 6.030 1.00 0.98 H new ATOM 0 HG13 VAL A 8 0.037 -7.417 4.856 1.00 0.98 H new ATOM 0 HG21 VAL A 8 0.897 -8.848 2.326 1.00 0.90 H new ATOM 0 HG22 VAL A 8 1.038 -7.097 2.612 1.00 0.90 H new ATOM 0 HG23 VAL A 8 2.467 -8.036 2.120 1.00 0.90 H new ATOM 117 N ARG A 9 2.330 -6.420 6.905 1.00 0.76 N ATOM 118 CA ARG A 9 2.377 -6.240 8.352 1.00 0.82 C ATOM 119 C ARG A 9 1.236 -7.030 8.989 1.00 1.13 C ATOM 120 O ARG A 9 0.097 -6.556 9.013 1.00 1.91 O ATOM 121 CB ARG A 9 2.266 -4.726 8.602 1.00 1.05 C ATOM 122 CG ARG A 9 2.212 -4.265 10.063 1.00 1.33 C ATOM 123 CD ARG A 9 0.815 -3.915 10.605 1.00 1.82 C ATOM 124 NE ARG A 9 0.957 -3.203 11.878 1.00 2.34 N ATOM 125 CZ ARG A 9 0.039 -2.823 12.747 1.00 3.11 C ATOM 126 NH1 ARG A 9 -1.251 -2.875 12.489 1.00 3.83 N ATOM 127 NH2 ARG A 9 0.458 -2.392 13.913 1.00 3.88 N ATOM 0 H ARG A 9 1.651 -5.796 6.470 1.00 0.76 H new ATOM 0 HA ARG A 9 3.299 -6.612 8.798 1.00 0.82 H new ATOM 0 HB2 ARG A 9 3.117 -4.240 8.125 1.00 1.05 H new ATOM 0 HB3 ARG A 9 1.369 -4.364 8.099 1.00 1.05 H new ATOM 0 HG2 ARG A 9 2.637 -5.051 10.688 1.00 1.33 H new ATOM 0 HG3 ARG A 9 2.853 -3.390 10.172 1.00 1.33 H new ATOM 0 HD2 ARG A 9 0.277 -3.296 9.886 1.00 1.82 H new ATOM 0 HD3 ARG A 9 0.228 -4.823 10.746 1.00 1.82 H new ATOM 0 HE ARG A 9 1.915 -2.964 12.132 1.00 2.34 H new ATOM 0 HH11 ARG A 9 -1.577 -3.220 11.586 1.00 3.83 H new ATOM 0 HH12 ARG A 9 -1.924 -2.570 13.192 1.00 3.83 H new ATOM 0 HH21 ARG A 9 1.457 -2.361 14.116 1.00 3.88 H new ATOM 0 HH22 ARG A 9 -0.215 -2.088 14.616 1.00 3.88 H new ATOM 141 N PHE A 10 1.526 -8.212 9.527 1.00 1.08 N ATOM 142 CA PHE A 10 0.563 -8.992 10.301 1.00 1.44 C ATOM 143 C PHE A 10 0.029 -8.192 11.508 1.00 1.38 C ATOM 144 O PHE A 10 0.726 -7.374 12.111 1.00 1.56 O ATOM 145 CB PHE A 10 1.225 -10.315 10.726 1.00 1.86 C ATOM 146 CG PHE A 10 0.496 -11.099 11.806 1.00 2.27 C ATOM 147 CD1 PHE A 10 -0.879 -11.391 11.693 1.00 3.50 C ATOM 148 CD2 PHE A 10 1.188 -11.489 12.967 1.00 2.32 C ATOM 149 CE1 PHE A 10 -1.560 -12.016 12.750 1.00 3.88 C ATOM 150 CE2 PHE A 10 0.514 -12.149 14.006 1.00 2.61 C ATOM 151 CZ PHE A 10 -0.862 -12.411 13.903 1.00 3.06 C ATOM 0 H PHE A 10 2.439 -8.658 9.438 1.00 1.08 H new ATOM 0 HA PHE A 10 -0.306 -9.217 9.683 1.00 1.44 H new ATOM 0 HB2 PHE A 10 1.324 -10.950 9.846 1.00 1.86 H new ATOM 0 HB3 PHE A 10 2.234 -10.099 11.078 1.00 1.86 H new ATOM 0 HD1 PHE A 10 -1.411 -11.133 10.789 1.00 3.50 H new ATOM 0 HD2 PHE A 10 2.243 -11.279 13.059 1.00 2.32 H new ATOM 0 HE1 PHE A 10 -2.623 -12.193 12.676 1.00 3.88 H new ATOM 0 HE2 PHE A 10 1.056 -12.457 14.888 1.00 2.61 H new ATOM 0 HZ PHE A 10 -1.381 -12.914 14.706 1.00 3.06 H new ATOM 161 N SER A 11 -1.217 -8.447 11.896 1.00 1.45 N ATOM 162 CA SER A 11 -1.779 -8.115 13.192 1.00 1.48 C ATOM 163 C SER A 11 -2.900 -9.104 13.548 1.00 1.56 C ATOM 164 O SER A 11 -3.592 -9.556 12.634 1.00 1.68 O ATOM 165 CB SER A 11 -2.324 -6.691 13.120 1.00 1.75 C ATOM 166 OG SER A 11 -1.262 -5.763 13.229 1.00 2.22 O ATOM 0 H SER A 11 -1.889 -8.912 11.285 1.00 1.45 H new ATOM 0 HA SER A 11 -1.015 -8.181 13.966 1.00 1.48 H new ATOM 0 HB2 SER A 11 -2.853 -6.542 12.179 1.00 1.75 H new ATOM 0 HB3 SER A 11 -3.045 -6.527 13.921 1.00 1.75 H new ATOM 0 HG SER A 11 -0.441 -6.163 12.874 1.00 2.22 H new ATOM 172 N PRO A 12 -3.076 -9.470 14.836 1.00 1.67 N ATOM 173 CA PRO A 12 -4.064 -10.450 15.281 1.00 1.81 C ATOM 174 C PRO A 12 -5.456 -9.805 15.367 1.00 1.77 C ATOM 175 O PRO A 12 -5.979 -9.542 16.448 1.00 2.56 O ATOM 176 CB PRO A 12 -3.535 -10.955 16.629 1.00 2.14 C ATOM 177 CG PRO A 12 -2.856 -9.714 17.205 1.00 2.16 C ATOM 178 CD PRO A 12 -2.243 -9.065 15.965 1.00 1.84 C ATOM 0 HA PRO A 12 -4.190 -11.284 14.590 1.00 1.81 H new ATOM 0 HB2 PRO A 12 -4.339 -11.313 17.272 1.00 2.14 H new ATOM 0 HB3 PRO A 12 -2.834 -11.781 16.506 1.00 2.14 H new ATOM 0 HG2 PRO A 12 -3.569 -9.053 17.698 1.00 2.16 H new ATOM 0 HG3 PRO A 12 -2.098 -9.973 17.944 1.00 2.16 H new ATOM 0 HD2 PRO A 12 -2.223 -7.980 16.064 1.00 1.84 H new ATOM 0 HD3 PRO A 12 -1.212 -9.391 15.825 1.00 1.84 H new ATOM 186 N GLY A 13 -6.044 -9.513 14.205 1.00 1.33 N ATOM 187 CA GLY A 13 -7.352 -8.870 14.088 1.00 1.39 C ATOM 188 C GLY A 13 -8.024 -9.083 12.726 1.00 1.23 C ATOM 189 O GLY A 13 -7.525 -9.848 11.902 1.00 1.36 O ATOM 0 H GLY A 13 -5.616 -9.721 13.303 1.00 1.33 H new ATOM 0 HA2 GLY A 13 -8.007 -9.254 14.870 1.00 1.39 H new ATOM 0 HA3 GLY A 13 -7.238 -7.800 14.264 1.00 1.39 H new ATOM 193 N PRO A 14 -9.161 -8.407 12.474 1.00 1.29 N ATOM 194 CA PRO A 14 -9.877 -8.449 11.197 1.00 1.40 C ATOM 195 C PRO A 14 -9.236 -7.550 10.123 1.00 1.18 C ATOM 196 O PRO A 14 -9.711 -7.536 8.988 1.00 1.33 O ATOM 197 CB PRO A 14 -11.290 -7.973 11.542 1.00 1.77 C ATOM 198 CG PRO A 14 -11.032 -6.939 12.636 1.00 1.79 C ATOM 199 CD PRO A 14 -9.867 -7.547 13.417 1.00 1.56 C ATOM 0 HA PRO A 14 -9.857 -9.449 10.764 1.00 1.40 H new ATOM 0 HB2 PRO A 14 -11.793 -7.535 10.680 1.00 1.77 H new ATOM 0 HB3 PRO A 14 -11.919 -8.790 11.896 1.00 1.77 H new ATOM 0 HG2 PRO A 14 -10.774 -5.966 12.219 1.00 1.79 H new ATOM 0 HG3 PRO A 14 -11.908 -6.792 13.267 1.00 1.79 H new ATOM 0 HD2 PRO A 14 -9.209 -6.770 13.805 1.00 1.56 H new ATOM 0 HD3 PRO A 14 -10.226 -8.118 14.273 1.00 1.56 H new ATOM 207 N ASN A 15 -8.184 -6.802 10.482 1.00 0.97 N ATOM 208 CA ASN A 15 -7.464 -5.858 9.629 1.00 0.81 C ATOM 209 C ASN A 15 -5.942 -5.858 9.899 1.00 0.78 C ATOM 210 O ASN A 15 -5.466 -6.428 10.886 1.00 1.07 O ATOM 211 CB ASN A 15 -8.086 -4.456 9.789 1.00 0.92 C ATOM 212 CG ASN A 15 -7.967 -3.898 11.200 1.00 1.32 C ATOM 213 OD1 ASN A 15 -6.885 -3.643 11.701 1.00 2.07 O ATOM 214 ND2 ASN A 15 -9.075 -3.713 11.894 1.00 2.40 N ATOM 0 H ASN A 15 -7.795 -6.844 11.424 1.00 0.97 H new ATOM 0 HA ASN A 15 -7.571 -6.175 8.592 1.00 0.81 H new ATOM 0 HB2 ASN A 15 -7.602 -3.771 9.093 1.00 0.92 H new ATOM 0 HB3 ASN A 15 -9.139 -4.500 9.512 1.00 0.92 H new ATOM 0 HD21 ASN A 15 -9.025 -3.357 12.849 1.00 2.40 H new ATOM 0 HD22 ASN A 15 -9.980 -3.926 11.476 1.00 2.40 H new ATOM 221 N ALA A 16 -5.183 -5.232 8.990 1.00 0.63 N ATOM 222 CA ALA A 16 -3.713 -5.250 8.914 1.00 0.87 C ATOM 223 C ALA A 16 -3.198 -4.175 7.931 1.00 0.70 C ATOM 224 O ALA A 16 -4.000 -3.411 7.398 1.00 0.55 O ATOM 225 CB ALA A 16 -3.259 -6.674 8.554 1.00 1.24 C ATOM 0 H ALA A 16 -5.598 -4.669 8.248 1.00 0.63 H new ATOM 0 HA ALA A 16 -3.277 -4.993 9.879 1.00 0.87 H new ATOM 0 HB1 ALA A 16 -2.171 -6.705 8.494 1.00 1.24 H new ATOM 0 HB2 ALA A 16 -3.600 -7.369 9.321 1.00 1.24 H new ATOM 0 HB3 ALA A 16 -3.684 -6.959 7.592 1.00 1.24 H new ATOM 231 N ALA A 17 -1.884 -4.098 7.678 1.00 1.03 N ATOM 232 CA ALA A 17 -1.320 -3.152 6.702 1.00 0.93 C ATOM 233 C ALA A 17 -0.412 -3.838 5.672 1.00 0.89 C ATOM 234 O ALA A 17 0.148 -4.901 5.940 1.00 1.13 O ATOM 235 CB ALA A 17 -0.574 -2.026 7.437 1.00 1.02 C ATOM 0 H ALA A 17 -1.187 -4.683 8.139 1.00 1.03 H new ATOM 0 HA ALA A 17 -2.150 -2.724 6.139 1.00 0.93 H new ATOM 0 HB1 ALA A 17 -0.159 -1.329 6.709 1.00 1.02 H new ATOM 0 HB2 ALA A 17 -1.267 -1.497 8.091 1.00 1.02 H new ATOM 0 HB3 ALA A 17 0.233 -2.453 8.032 1.00 1.02 H new ATOM 241 N ALA A 18 -0.235 -3.194 4.520 1.00 0.77 N ATOM 242 CA ALA A 18 0.801 -3.517 3.545 1.00 0.77 C ATOM 243 C ALA A 18 1.580 -2.254 3.153 1.00 0.69 C ATOM 244 O ALA A 18 1.014 -1.162 3.026 1.00 0.75 O ATOM 245 CB ALA A 18 0.160 -4.198 2.329 1.00 0.91 C ATOM 0 H ALA A 18 -0.825 -2.413 4.233 1.00 0.77 H new ATOM 0 HA ALA A 18 1.518 -4.211 3.984 1.00 0.77 H new ATOM 0 HB1 ALA A 18 0.932 -4.440 1.599 1.00 0.91 H new ATOM 0 HB2 ALA A 18 -0.340 -5.113 2.646 1.00 0.91 H new ATOM 0 HB3 ALA A 18 -0.568 -3.525 1.877 1.00 0.91 H new ATOM 251 N TYR A 19 2.879 -2.425 2.915 1.00 0.70 N ATOM 252 CA TYR A 19 3.795 -1.388 2.439 1.00 0.73 C ATOM 253 C TYR A 19 4.617 -1.938 1.264 1.00 0.82 C ATOM 254 O TYR A 19 4.881 -3.142 1.218 1.00 0.97 O ATOM 255 CB TYR A 19 4.747 -0.956 3.570 1.00 0.77 C ATOM 256 CG TYR A 19 4.154 -0.920 4.968 1.00 0.72 C ATOM 257 CD1 TYR A 19 3.121 -0.022 5.296 1.00 1.90 C ATOM 258 CD2 TYR A 19 4.636 -1.814 5.941 1.00 2.00 C ATOM 259 CE1 TYR A 19 2.566 -0.031 6.591 1.00 1.88 C ATOM 260 CE2 TYR A 19 4.120 -1.800 7.249 1.00 2.05 C ATOM 261 CZ TYR A 19 3.073 -0.907 7.578 1.00 0.76 C ATOM 262 OH TYR A 19 2.542 -0.871 8.834 1.00 0.89 O ATOM 0 H TYR A 19 3.341 -3.324 3.053 1.00 0.70 H new ATOM 0 HA TYR A 19 3.215 -0.524 2.115 1.00 0.73 H new ATOM 0 HB2 TYR A 19 5.601 -1.634 3.577 1.00 0.77 H new ATOM 0 HB3 TYR A 19 5.130 0.037 3.335 1.00 0.77 H new ATOM 0 HD1 TYR A 19 2.754 0.673 4.556 1.00 1.90 H new ATOM 0 HD2 TYR A 19 5.411 -2.519 5.681 1.00 2.00 H new ATOM 0 HE1 TYR A 19 1.750 0.634 6.831 1.00 1.88 H new ATOM 0 HE2 TYR A 19 4.521 -2.467 7.998 1.00 2.05 H new ATOM 0 HH TYR A 19 1.601 -0.600 8.784 1.00 0.89 H new ATOM 272 N LEU A 20 5.063 -1.057 0.358 1.00 0.79 N ATOM 273 CA LEU A 20 5.938 -1.408 -0.768 1.00 0.90 C ATOM 274 C LEU A 20 6.442 -0.203 -1.565 1.00 0.87 C ATOM 275 O LEU A 20 5.827 0.864 -1.598 1.00 0.81 O ATOM 276 CB LEU A 20 5.317 -2.468 -1.713 1.00 0.97 C ATOM 277 CG LEU A 20 4.011 -2.120 -2.458 1.00 0.91 C ATOM 278 CD1 LEU A 20 3.807 -3.182 -3.546 1.00 1.53 C ATOM 279 CD2 LEU A 20 2.770 -2.108 -1.550 1.00 1.35 C ATOM 0 H LEU A 20 4.822 -0.066 0.388 1.00 0.79 H new ATOM 0 HA LEU A 20 6.810 -1.856 -0.292 1.00 0.90 H new ATOM 0 HB2 LEU A 20 6.067 -2.724 -2.462 1.00 0.97 H new ATOM 0 HB3 LEU A 20 5.133 -3.368 -1.126 1.00 0.97 H new ATOM 0 HG LEU A 20 4.115 -1.113 -2.861 1.00 0.91 H new ATOM 0 HD11 LEU A 20 2.890 -2.968 -4.096 1.00 1.53 H new ATOM 0 HD12 LEU A 20 4.654 -3.167 -4.232 1.00 1.53 H new ATOM 0 HD13 LEU A 20 3.732 -4.166 -3.084 1.00 1.53 H new ATOM 0 HD21 LEU A 20 1.889 -1.856 -2.141 1.00 1.35 H new ATOM 0 HD22 LEU A 20 2.637 -3.093 -1.103 1.00 1.35 H new ATOM 0 HD23 LEU A 20 2.903 -1.367 -0.762 1.00 1.35 H new ATOM 291 N THR A 21 7.548 -0.440 -2.272 1.00 1.01 N ATOM 292 CA THR A 21 8.074 0.368 -3.371 1.00 1.01 C ATOM 293 C THR A 21 7.361 -0.003 -4.661 1.00 0.98 C ATOM 294 O THR A 21 7.290 -1.170 -5.039 1.00 1.08 O ATOM 295 CB THR A 21 9.577 0.125 -3.491 1.00 1.18 C ATOM 296 OG1 THR A 21 10.163 0.743 -2.370 1.00 1.53 O ATOM 297 CG2 THR A 21 10.190 0.686 -4.774 1.00 1.37 C ATOM 0 H THR A 21 8.136 -1.251 -2.080 1.00 1.01 H new ATOM 0 HA THR A 21 7.902 1.427 -3.177 1.00 1.01 H new ATOM 0 HB THR A 21 9.763 -0.948 -3.530 1.00 1.18 H new ATOM 0 HG1 THR A 21 10.983 1.206 -2.643 1.00 1.53 H new ATOM 0 HG21 THR A 21 11.259 0.475 -4.789 1.00 1.37 H new ATOM 0 HG22 THR A 21 9.716 0.219 -5.638 1.00 1.37 H new ATOM 0 HG23 THR A 21 10.032 1.764 -4.812 1.00 1.37 H new ATOM 305 N LEU A 22 6.895 1.016 -5.372 1.00 1.05 N ATOM 306 CA LEU A 22 6.371 0.947 -6.727 1.00 1.09 C ATOM 307 C LEU A 22 7.293 1.738 -7.654 1.00 0.92 C ATOM 308 O LEU A 22 7.775 2.816 -7.297 1.00 0.90 O ATOM 309 CB LEU A 22 4.967 1.542 -6.669 1.00 1.32 C ATOM 310 CG LEU A 22 4.083 1.326 -7.909 1.00 1.58 C ATOM 311 CD1 LEU A 22 2.692 1.720 -7.441 1.00 2.57 C ATOM 312 CD2 LEU A 22 4.428 2.168 -9.150 1.00 3.08 C ATOM 0 H LEU A 22 6.872 1.964 -4.996 1.00 1.05 H new ATOM 0 HA LEU A 22 6.325 -0.071 -7.114 1.00 1.09 H new ATOM 0 HB2 LEU A 22 4.453 1.121 -5.805 1.00 1.32 H new ATOM 0 HB3 LEU A 22 5.057 2.614 -6.496 1.00 1.32 H new ATOM 0 HG LEU A 22 4.210 0.296 -8.244 1.00 1.58 H new ATOM 0 HD11 LEU A 22 1.984 1.599 -8.261 1.00 2.57 H new ATOM 0 HD12 LEU A 22 2.394 1.083 -6.608 1.00 2.57 H new ATOM 0 HD13 LEU A 22 2.698 2.761 -7.117 1.00 2.57 H new ATOM 0 HD21 LEU A 22 3.736 1.927 -9.957 1.00 3.08 H new ATOM 0 HD22 LEU A 22 4.346 3.227 -8.906 1.00 3.08 H new ATOM 0 HD23 LEU A 22 5.447 1.947 -9.468 1.00 3.08 H new ATOM 324 N GLU A 23 7.477 1.246 -8.872 1.00 0.95 N ATOM 325 CA GLU A 23 8.156 2.005 -9.909 1.00 0.96 C ATOM 326 C GLU A 23 7.584 1.728 -11.292 1.00 0.85 C ATOM 327 O GLU A 23 7.192 0.611 -11.623 1.00 0.98 O ATOM 328 CB GLU A 23 9.678 1.838 -9.843 1.00 1.33 C ATOM 329 CG GLU A 23 10.216 0.424 -10.063 1.00 1.54 C ATOM 330 CD GLU A 23 11.725 0.441 -9.821 1.00 2.24 C ATOM 331 OE1 GLU A 23 12.116 0.605 -8.641 1.00 3.13 O ATOM 332 OE2 GLU A 23 12.479 0.353 -10.809 1.00 3.01 O ATOM 0 H GLU A 23 7.163 0.321 -9.165 1.00 0.95 H new ATOM 0 HA GLU A 23 7.961 3.059 -9.712 1.00 0.96 H new ATOM 0 HB2 GLU A 23 10.127 2.494 -10.589 1.00 1.33 H new ATOM 0 HB3 GLU A 23 10.018 2.185 -8.867 1.00 1.33 H new ATOM 0 HG2 GLU A 23 9.731 -0.277 -9.384 1.00 1.54 H new ATOM 0 HG3 GLU A 23 9.998 0.088 -11.077 1.00 1.54 H new ATOM 339 N ASN A 24 7.522 2.797 -12.079 1.00 0.86 N ATOM 340 CA ASN A 24 7.045 2.815 -13.447 1.00 0.84 C ATOM 341 C ASN A 24 8.240 2.825 -14.417 1.00 0.89 C ATOM 342 O ASN A 24 8.874 3.871 -14.576 1.00 0.99 O ATOM 343 CB ASN A 24 6.200 4.080 -13.626 1.00 0.85 C ATOM 344 CG ASN A 24 5.641 4.193 -15.030 1.00 0.84 C ATOM 345 OD1 ASN A 24 5.650 3.254 -15.816 1.00 0.91 O ATOM 346 ND2 ASN A 24 5.142 5.362 -15.360 1.00 0.84 N ATOM 0 H ASN A 24 7.820 3.718 -11.758 1.00 0.86 H new ATOM 0 HA ASN A 24 6.447 1.929 -13.660 1.00 0.84 H new ATOM 0 HB2 ASN A 24 5.380 4.073 -12.908 1.00 0.85 H new ATOM 0 HB3 ASN A 24 6.809 4.957 -13.406 1.00 0.85 H new ATOM 0 HD21 ASN A 24 4.749 5.505 -16.290 1.00 0.84 H new ATOM 0 HD22 ASN A 24 5.147 6.127 -14.686 1.00 0.84 H new ATOM 353 N PRO A 25 8.546 1.708 -15.100 1.00 0.89 N ATOM 354 CA PRO A 25 9.610 1.668 -16.098 1.00 0.94 C ATOM 355 C PRO A 25 9.209 2.297 -17.442 1.00 0.96 C ATOM 356 O PRO A 25 10.078 2.479 -18.294 1.00 1.00 O ATOM 357 CB PRO A 25 9.930 0.177 -16.252 1.00 1.03 C ATOM 358 CG PRO A 25 8.577 -0.490 -15.995 1.00 1.02 C ATOM 359 CD PRO A 25 7.966 0.385 -14.909 1.00 0.93 C ATOM 0 HA PRO A 25 10.469 2.258 -15.778 1.00 0.94 H new ATOM 0 HB2 PRO A 25 10.312 -0.054 -17.246 1.00 1.03 H new ATOM 0 HB3 PRO A 25 10.684 -0.150 -15.537 1.00 1.03 H new ATOM 0 HG2 PRO A 25 7.959 -0.509 -16.893 1.00 1.02 H new ATOM 0 HG3 PRO A 25 8.692 -1.522 -15.665 1.00 1.02 H new ATOM 0 HD2 PRO A 25 6.880 0.417 -14.996 1.00 0.93 H new ATOM 0 HD3 PRO A 25 8.195 -0.004 -13.917 1.00 0.93 H new ATOM 367 N GLY A 26 7.929 2.635 -17.653 1.00 0.94 N ATOM 368 CA GLY A 26 7.418 3.168 -18.918 1.00 0.98 C ATOM 369 C GLY A 26 7.657 4.665 -19.104 1.00 0.95 C ATOM 370 O GLY A 26 8.284 5.329 -18.279 1.00 0.92 O ATOM 0 H GLY A 26 7.210 2.543 -16.936 1.00 0.94 H new ATOM 0 HA2 GLY A 26 7.887 2.631 -19.742 1.00 0.98 H new ATOM 0 HA3 GLY A 26 6.347 2.971 -18.977 1.00 0.98 H new ATOM 374 N ASP A 27 7.172 5.174 -20.237 1.00 1.05 N ATOM 375 CA ASP A 27 7.390 6.546 -20.727 1.00 1.06 C ATOM 376 C ASP A 27 6.110 7.406 -20.712 1.00 1.10 C ATOM 377 O ASP A 27 6.142 8.590 -21.039 1.00 1.20 O ATOM 378 CB ASP A 27 8.043 6.460 -22.115 1.00 1.10 C ATOM 379 CG ASP A 27 9.430 5.831 -21.971 1.00 1.46 C ATOM 380 OD1 ASP A 27 10.383 6.568 -21.639 1.00 2.45 O ATOM 381 OD2 ASP A 27 9.533 4.585 -21.969 1.00 2.23 O ATOM 0 H ASP A 27 6.591 4.623 -20.869 1.00 1.05 H new ATOM 0 HA ASP A 27 8.062 7.068 -20.045 1.00 1.06 H new ATOM 0 HB2 ASP A 27 7.426 5.862 -22.786 1.00 1.10 H new ATOM 0 HB3 ASP A 27 8.123 7.453 -22.556 1.00 1.10 H new ATOM 386 N LEU A 28 4.995 6.830 -20.245 1.00 1.08 N ATOM 387 CA LEU A 28 3.758 7.523 -19.881 1.00 1.10 C ATOM 388 C LEU A 28 3.480 7.359 -18.369 1.00 0.99 C ATOM 389 O LEU A 28 4.045 6.447 -17.756 1.00 0.94 O ATOM 390 CB LEU A 28 2.636 7.042 -20.824 1.00 1.24 C ATOM 391 CG LEU A 28 2.192 5.567 -20.716 1.00 1.31 C ATOM 392 CD1 LEU A 28 1.308 5.296 -19.487 1.00 1.79 C ATOM 393 CD2 LEU A 28 1.395 5.199 -21.976 1.00 1.52 C ATOM 0 H LEU A 28 4.930 5.822 -20.105 1.00 1.08 H new ATOM 0 HA LEU A 28 3.833 8.601 -20.024 1.00 1.10 H new ATOM 0 HB2 LEU A 28 1.761 7.669 -20.652 1.00 1.24 H new ATOM 0 HB3 LEU A 28 2.960 7.221 -21.849 1.00 1.24 H new ATOM 0 HG LEU A 28 3.094 4.964 -20.614 1.00 1.31 H new ATOM 0 HD11 LEU A 28 1.028 4.243 -19.465 1.00 1.79 H new ATOM 0 HD12 LEU A 28 1.860 5.543 -18.580 1.00 1.79 H new ATOM 0 HD13 LEU A 28 0.409 5.910 -19.543 1.00 1.79 H new ATOM 0 HD21 LEU A 28 1.075 4.159 -21.913 1.00 1.52 H new ATOM 0 HD22 LEU A 28 0.520 5.844 -22.054 1.00 1.52 H new ATOM 0 HD23 LEU A 28 2.024 5.332 -22.856 1.00 1.52 H new ATOM 405 N PRO A 29 2.651 8.215 -17.736 1.00 0.99 N ATOM 406 CA PRO A 29 2.463 8.221 -16.288 1.00 0.94 C ATOM 407 C PRO A 29 1.453 7.145 -15.839 1.00 0.96 C ATOM 408 O PRO A 29 0.584 6.738 -16.613 1.00 1.06 O ATOM 409 CB PRO A 29 1.961 9.630 -15.959 1.00 0.99 C ATOM 410 CG PRO A 29 1.166 10.015 -17.205 1.00 1.09 C ATOM 411 CD PRO A 29 1.898 9.303 -18.346 1.00 1.10 C ATOM 0 HA PRO A 29 3.388 7.984 -15.762 1.00 0.94 H new ATOM 0 HB2 PRO A 29 1.337 9.637 -15.065 1.00 0.99 H new ATOM 0 HB3 PRO A 29 2.786 10.320 -15.778 1.00 0.99 H new ATOM 0 HG2 PRO A 29 0.128 9.690 -17.132 1.00 1.09 H new ATOM 0 HG3 PRO A 29 1.152 11.095 -17.352 1.00 1.09 H new ATOM 0 HD2 PRO A 29 1.191 8.921 -19.082 1.00 1.10 H new ATOM 0 HD3 PRO A 29 2.563 9.990 -18.869 1.00 1.10 H new ATOM 419 N LEU A 30 1.525 6.725 -14.568 1.00 0.93 N ATOM 420 CA LEU A 30 0.557 5.823 -13.932 1.00 1.02 C ATOM 421 C LEU A 30 -0.312 6.586 -12.936 1.00 1.08 C ATOM 422 O LEU A 30 0.115 7.581 -12.353 1.00 1.39 O ATOM 423 CB LEU A 30 1.241 4.674 -13.186 1.00 1.09 C ATOM 424 CG LEU A 30 2.152 3.820 -14.064 1.00 1.08 C ATOM 425 CD1 LEU A 30 2.715 2.689 -13.212 1.00 1.70 C ATOM 426 CD2 LEU A 30 1.504 3.206 -15.307 1.00 2.12 C ATOM 0 H LEU A 30 2.276 7.010 -13.940 1.00 0.93 H new ATOM 0 HA LEU A 30 -0.053 5.409 -14.735 1.00 1.02 H new ATOM 0 HB2 LEU A 30 1.827 5.086 -12.364 1.00 1.09 H new ATOM 0 HB3 LEU A 30 0.476 4.035 -12.744 1.00 1.09 H new ATOM 0 HG LEU A 30 2.913 4.503 -14.441 1.00 1.08 H new ATOM 0 HD11 LEU A 30 3.370 2.066 -13.821 1.00 1.70 H new ATOM 0 HD12 LEU A 30 3.283 3.107 -12.381 1.00 1.70 H new ATOM 0 HD13 LEU A 30 1.896 2.084 -12.824 1.00 1.70 H new ATOM 0 HD21 LEU A 30 2.245 2.622 -15.853 1.00 2.12 H new ATOM 0 HD22 LEU A 30 0.681 2.558 -15.006 1.00 2.12 H new ATOM 0 HD23 LEU A 30 1.124 4.000 -15.949 1.00 2.12 H new ATOM 438 N ARG A 31 -1.481 6.018 -12.659 1.00 0.86 N ATOM 439 CA ARG A 31 -2.384 6.442 -11.576 1.00 0.81 C ATOM 440 C ARG A 31 -2.881 5.208 -10.820 1.00 0.74 C ATOM 441 O ARG A 31 -3.513 4.342 -11.427 1.00 0.65 O ATOM 442 CB ARG A 31 -3.524 7.301 -12.148 1.00 0.86 C ATOM 443 CG ARG A 31 -4.275 8.096 -11.062 1.00 0.91 C ATOM 444 CD ARG A 31 -4.991 9.356 -11.582 1.00 1.01 C ATOM 445 NE ARG A 31 -4.053 10.440 -11.954 1.00 1.67 N ATOM 446 CZ ARG A 31 -3.800 10.956 -13.152 1.00 1.77 C ATOM 447 NH1 ARG A 31 -4.385 10.527 -14.254 1.00 1.90 N ATOM 448 NH2 ARG A 31 -2.933 11.933 -13.258 1.00 2.93 N ATOM 0 H ARG A 31 -1.843 5.227 -13.192 1.00 0.86 H new ATOM 0 HA ARG A 31 -1.854 7.069 -10.859 1.00 0.81 H new ATOM 0 HB2 ARG A 31 -3.116 7.995 -12.883 1.00 0.86 H new ATOM 0 HB3 ARG A 31 -4.229 6.657 -12.674 1.00 0.86 H new ATOM 0 HG2 ARG A 31 -5.010 7.442 -10.592 1.00 0.91 H new ATOM 0 HG3 ARG A 31 -3.567 8.388 -10.287 1.00 0.91 H new ATOM 0 HD2 ARG A 31 -5.596 9.092 -12.450 1.00 1.01 H new ATOM 0 HD3 ARG A 31 -5.675 9.721 -10.816 1.00 1.01 H new ATOM 0 HE ARG A 31 -3.527 10.848 -11.181 1.00 1.67 H new ATOM 0 HH11 ARG A 31 -5.064 9.767 -14.208 1.00 1.90 H new ATOM 0 HH12 ARG A 31 -4.158 10.955 -15.152 1.00 1.90 H new ATOM 0 HH21 ARG A 31 -2.461 12.289 -12.427 1.00 2.93 H new ATOM 0 HH22 ARG A 31 -2.730 12.338 -14.172 1.00 2.93 H new ATOM 462 N LEU A 32 -2.531 5.097 -9.538 1.00 0.81 N ATOM 463 CA LEU A 32 -2.726 3.939 -8.660 1.00 0.74 C ATOM 464 C LEU A 32 -3.989 4.144 -7.815 1.00 0.68 C ATOM 465 O LEU A 32 -4.048 5.066 -7.009 1.00 0.75 O ATOM 466 CB LEU A 32 -1.463 3.808 -7.783 1.00 0.79 C ATOM 467 CG LEU A 32 -1.512 2.685 -6.722 1.00 0.76 C ATOM 468 CD1 LEU A 32 -1.336 1.299 -7.356 1.00 0.81 C ATOM 469 CD2 LEU A 32 -0.402 2.914 -5.688 1.00 0.96 C ATOM 0 H LEU A 32 -2.072 5.866 -9.050 1.00 0.81 H new ATOM 0 HA LEU A 32 -2.866 3.021 -9.230 1.00 0.74 H new ATOM 0 HB2 LEU A 32 -0.605 3.635 -8.433 1.00 0.79 H new ATOM 0 HB3 LEU A 32 -1.292 4.758 -7.276 1.00 0.79 H new ATOM 0 HG LEU A 32 -2.491 2.716 -6.243 1.00 0.76 H new ATOM 0 HD11 LEU A 32 -1.376 0.536 -6.579 1.00 0.81 H new ATOM 0 HD12 LEU A 32 -2.134 1.125 -8.077 1.00 0.81 H new ATOM 0 HD13 LEU A 32 -0.372 1.250 -7.863 1.00 0.81 H new ATOM 0 HD21 LEU A 32 -0.434 2.123 -4.938 1.00 0.96 H new ATOM 0 HD22 LEU A 32 0.567 2.902 -6.186 1.00 0.96 H new ATOM 0 HD23 LEU A 32 -0.549 3.879 -5.204 1.00 0.96 H new ATOM 481 N VAL A 33 -4.981 3.276 -7.992 1.00 0.62 N ATOM 482 CA VAL A 33 -6.353 3.458 -7.477 1.00 0.60 C ATOM 483 C VAL A 33 -6.756 2.442 -6.396 1.00 0.59 C ATOM 484 O VAL A 33 -7.801 2.602 -5.768 1.00 0.58 O ATOM 485 CB VAL A 33 -7.392 3.437 -8.629 1.00 0.61 C ATOM 486 CG1 VAL A 33 -7.128 4.564 -9.645 1.00 0.65 C ATOM 487 CG2 VAL A 33 -7.432 2.102 -9.397 1.00 0.62 C ATOM 0 H VAL A 33 -4.860 2.404 -8.508 1.00 0.62 H new ATOM 0 HA VAL A 33 -6.350 4.438 -7.000 1.00 0.60 H new ATOM 0 HB VAL A 33 -8.355 3.580 -8.138 1.00 0.61 H new ATOM 0 HG11 VAL A 33 -7.874 4.520 -10.439 1.00 0.65 H new ATOM 0 HG12 VAL A 33 -7.189 5.529 -9.142 1.00 0.65 H new ATOM 0 HG13 VAL A 33 -6.134 4.441 -10.074 1.00 0.65 H new ATOM 0 HG21 VAL A 33 -8.180 2.159 -10.187 1.00 0.62 H new ATOM 0 HG22 VAL A 33 -6.454 1.906 -9.837 1.00 0.62 H new ATOM 0 HG23 VAL A 33 -7.690 1.295 -8.711 1.00 0.62 H new ATOM 497 N GLY A 34 -5.953 1.395 -6.161 1.00 0.63 N ATOM 498 CA GLY A 34 -6.203 0.418 -5.104 1.00 0.67 C ATOM 499 C GLY A 34 -5.180 -0.707 -5.096 1.00 0.74 C ATOM 500 O GLY A 34 -4.121 -0.613 -5.719 1.00 0.80 O ATOM 0 H GLY A 34 -5.110 1.205 -6.703 1.00 0.63 H new ATOM 0 HA2 GLY A 34 -6.191 0.922 -4.138 1.00 0.67 H new ATOM 0 HA3 GLY A 34 -7.200 -0.003 -5.232 1.00 0.67 H new ATOM 504 N ALA A 35 -5.522 -1.788 -4.403 1.00 0.79 N ATOM 505 CA ALA A 35 -4.752 -3.029 -4.391 1.00 0.88 C ATOM 506 C ALA A 35 -5.676 -4.256 -4.288 1.00 0.76 C ATOM 507 O ALA A 35 -6.895 -4.072 -4.220 1.00 0.73 O ATOM 508 CB ALA A 35 -3.751 -2.950 -3.237 1.00 1.16 C ATOM 0 H ALA A 35 -6.359 -1.828 -3.822 1.00 0.79 H new ATOM 0 HA ALA A 35 -4.207 -3.149 -5.327 1.00 0.88 H new ATOM 0 HB1 ALA A 35 -3.161 -3.866 -3.204 1.00 1.16 H new ATOM 0 HB2 ALA A 35 -3.089 -2.097 -3.387 1.00 1.16 H new ATOM 0 HB3 ALA A 35 -4.289 -2.831 -2.296 1.00 1.16 H new ATOM 514 N ARG A 36 -5.146 -5.491 -4.229 1.00 0.86 N ATOM 515 CA ARG A 36 -5.974 -6.688 -4.056 1.00 0.77 C ATOM 516 C ARG A 36 -5.060 -7.843 -3.678 1.00 0.75 C ATOM 517 O ARG A 36 -4.021 -7.996 -4.305 1.00 0.86 O ATOM 518 CB ARG A 36 -6.780 -6.941 -5.350 1.00 0.94 C ATOM 519 CG ARG A 36 -7.121 -8.417 -5.558 1.00 1.55 C ATOM 520 CD ARG A 36 -7.885 -8.672 -6.863 1.00 2.11 C ATOM 521 NE ARG A 36 -7.105 -9.568 -7.729 1.00 3.50 N ATOM 522 CZ ARG A 36 -7.370 -10.803 -8.118 1.00 4.45 C ATOM 523 NH1 ARG A 36 -8.509 -11.415 -7.852 1.00 4.57 N ATOM 524 NH2 ARG A 36 -6.429 -11.430 -8.788 1.00 5.93 N ATOM 0 H ARG A 36 -4.146 -5.681 -4.299 1.00 0.86 H new ATOM 0 HA ARG A 36 -6.704 -6.567 -3.255 1.00 0.77 H new ATOM 0 HB2 ARG A 36 -7.702 -6.361 -5.317 1.00 0.94 H new ATOM 0 HB3 ARG A 36 -6.208 -6.581 -6.205 1.00 0.94 H new ATOM 0 HG2 ARG A 36 -6.201 -9.001 -5.561 1.00 1.55 H new ATOM 0 HG3 ARG A 36 -7.719 -8.769 -4.717 1.00 1.55 H new ATOM 0 HD2 ARG A 36 -8.857 -9.116 -6.646 1.00 2.11 H new ATOM 0 HD3 ARG A 36 -8.073 -7.729 -7.375 1.00 2.11 H new ATOM 0 HE ARG A 36 -6.230 -9.179 -8.082 1.00 3.50 H new ATOM 0 HH11 ARG A 36 -9.235 -10.933 -7.322 1.00 4.57 H new ATOM 0 HH12 ARG A 36 -8.663 -12.370 -8.176 1.00 4.57 H new ATOM 0 HH21 ARG A 36 -5.545 -10.961 -8.985 1.00 5.93 H new ATOM 0 HH22 ARG A 36 -6.583 -12.385 -9.111 1.00 5.93 H new ATOM 538 N THR A 37 -5.423 -8.673 -2.702 1.00 0.66 N ATOM 539 CA THR A 37 -4.596 -9.801 -2.246 1.00 0.62 C ATOM 540 C THR A 37 -5.487 -11.024 -2.010 1.00 0.63 C ATOM 541 O THR A 37 -6.643 -10.820 -1.652 1.00 0.63 O ATOM 542 CB THR A 37 -3.827 -9.401 -0.980 1.00 0.63 C ATOM 543 OG1 THR A 37 -3.201 -10.541 -0.465 1.00 0.65 O ATOM 544 CG2 THR A 37 -4.677 -8.789 0.131 1.00 0.64 C ATOM 0 H THR A 37 -6.305 -8.585 -2.198 1.00 0.66 H new ATOM 0 HA THR A 37 -3.863 -10.062 -3.009 1.00 0.62 H new ATOM 0 HB THR A 37 -3.126 -8.626 -1.291 1.00 0.63 H new ATOM 0 HG1 THR A 37 -2.325 -10.654 -0.890 1.00 0.65 H new ATOM 0 HG21 THR A 37 -4.041 -8.541 0.981 1.00 0.64 H new ATOM 0 HG22 THR A 37 -5.160 -7.884 -0.237 1.00 0.64 H new ATOM 0 HG23 THR A 37 -5.437 -9.505 0.443 1.00 0.64 H new ATOM 552 N PRO A 38 -4.999 -12.276 -2.136 1.00 0.74 N ATOM 553 CA PRO A 38 -5.744 -13.453 -1.697 1.00 0.84 C ATOM 554 C PRO A 38 -5.938 -13.524 -0.180 1.00 0.83 C ATOM 555 O PRO A 38 -6.835 -14.234 0.264 1.00 1.00 O ATOM 556 CB PRO A 38 -4.922 -14.646 -2.177 1.00 1.00 C ATOM 557 CG PRO A 38 -3.494 -14.121 -2.246 1.00 0.96 C ATOM 558 CD PRO A 38 -3.716 -12.682 -2.700 1.00 0.86 C ATOM 0 HA PRO A 38 -6.753 -13.429 -2.108 1.00 0.84 H new ATOM 0 HB2 PRO A 38 -5.003 -15.487 -1.488 1.00 1.00 H new ATOM 0 HB3 PRO A 38 -5.263 -14.997 -3.151 1.00 1.00 H new ATOM 0 HG2 PRO A 38 -2.992 -14.173 -1.280 1.00 0.96 H new ATOM 0 HG3 PRO A 38 -2.884 -14.684 -2.953 1.00 0.96 H new ATOM 0 HD2 PRO A 38 -2.913 -12.034 -2.349 1.00 0.86 H new ATOM 0 HD3 PRO A 38 -3.729 -12.614 -3.788 1.00 0.86 H new ATOM 566 N VAL A 39 -5.109 -12.826 0.608 1.00 0.75 N ATOM 567 CA VAL A 39 -5.138 -12.926 2.089 1.00 0.83 C ATOM 568 C VAL A 39 -6.074 -11.920 2.779 1.00 0.82 C ATOM 569 O VAL A 39 -6.135 -11.889 4.006 1.00 0.96 O ATOM 570 CB VAL A 39 -3.730 -12.937 2.738 1.00 0.95 C ATOM 571 CG1 VAL A 39 -2.778 -13.856 1.955 1.00 1.01 C ATOM 572 CG2 VAL A 39 -3.106 -11.544 2.922 1.00 0.98 C ATOM 0 H VAL A 39 -4.404 -12.181 0.251 1.00 0.75 H new ATOM 0 HA VAL A 39 -5.576 -13.908 2.268 1.00 0.83 H new ATOM 0 HB VAL A 39 -3.876 -13.330 3.744 1.00 0.95 H new ATOM 0 HG11 VAL A 39 -1.796 -13.849 2.427 1.00 1.01 H new ATOM 0 HG12 VAL A 39 -3.173 -14.872 1.953 1.00 1.01 H new ATOM 0 HG13 VAL A 39 -2.690 -13.499 0.929 1.00 1.01 H new ATOM 0 HG21 VAL A 39 -2.123 -11.644 3.382 1.00 0.98 H new ATOM 0 HG22 VAL A 39 -3.005 -11.059 1.951 1.00 0.98 H new ATOM 0 HG23 VAL A 39 -3.747 -10.940 3.564 1.00 0.98 H new ATOM 582 N ALA A 40 -6.834 -11.133 2.012 1.00 0.75 N ATOM 583 CA ALA A 40 -7.862 -10.217 2.509 1.00 0.77 C ATOM 584 C ALA A 40 -9.085 -10.210 1.575 1.00 0.88 C ATOM 585 O ALA A 40 -9.109 -10.924 0.569 1.00 1.16 O ATOM 586 CB ALA A 40 -7.252 -8.814 2.696 1.00 0.80 C ATOM 0 H ALA A 40 -6.747 -11.116 0.996 1.00 0.75 H new ATOM 0 HA ALA A 40 -8.219 -10.558 3.481 1.00 0.77 H new ATOM 0 HB1 ALA A 40 -8.017 -8.131 3.066 1.00 0.80 H new ATOM 0 HB2 ALA A 40 -6.434 -8.866 3.414 1.00 0.80 H new ATOM 0 HB3 ALA A 40 -6.874 -8.451 1.740 1.00 0.80 H new ATOM 592 N GLU A 41 -10.092 -9.400 1.900 1.00 0.90 N ATOM 593 CA GLU A 41 -11.249 -9.177 1.038 1.00 1.15 C ATOM 594 C GLU A 41 -11.116 -7.842 0.304 1.00 1.32 C ATOM 595 O GLU A 41 -11.083 -7.800 -0.922 1.00 1.54 O ATOM 596 CB GLU A 41 -12.538 -9.249 1.878 1.00 1.22 C ATOM 597 CG GLU A 41 -13.761 -9.575 1.018 1.00 1.61 C ATOM 598 CD GLU A 41 -13.611 -10.972 0.418 1.00 2.27 C ATOM 599 OE1 GLU A 41 -13.706 -11.956 1.181 1.00 2.83 O ATOM 600 OE2 GLU A 41 -13.181 -11.107 -0.745 1.00 3.16 O ATOM 0 H GLU A 41 -10.127 -8.877 2.775 1.00 0.90 H new ATOM 0 HA GLU A 41 -11.298 -9.957 0.278 1.00 1.15 H new ATOM 0 HB2 GLU A 41 -12.425 -10.008 2.652 1.00 1.22 H new ATOM 0 HB3 GLU A 41 -12.694 -8.297 2.386 1.00 1.22 H new ATOM 0 HG2 GLU A 41 -14.667 -9.524 1.622 1.00 1.61 H new ATOM 0 HG3 GLU A 41 -13.866 -8.837 0.223 1.00 1.61 H new ATOM 607 N ARG A 42 -10.962 -6.747 1.056 1.00 1.43 N ATOM 608 CA ARG A 42 -10.731 -5.412 0.504 1.00 1.65 C ATOM 609 C ARG A 42 -9.404 -4.836 0.992 1.00 1.34 C ATOM 610 O ARG A 42 -8.852 -5.253 2.012 1.00 1.55 O ATOM 611 CB ARG A 42 -11.934 -4.501 0.798 1.00 1.96 C ATOM 612 CG ARG A 42 -11.937 -3.881 2.203 1.00 1.70 C ATOM 613 CD ARG A 42 -13.292 -3.222 2.491 1.00 1.75 C ATOM 614 NE ARG A 42 -13.167 -2.049 3.367 1.00 2.26 N ATOM 615 CZ ARG A 42 -13.996 -1.644 4.318 1.00 2.78 C ATOM 616 NH1 ARG A 42 -15.031 -2.358 4.713 1.00 3.27 N ATOM 617 NH2 ARG A 42 -13.763 -0.482 4.875 1.00 4.13 N ATOM 0 H ARG A 42 -10.995 -6.765 2.075 1.00 1.43 H new ATOM 0 HA ARG A 42 -10.644 -5.482 -0.580 1.00 1.65 H new ATOM 0 HB2 ARG A 42 -11.954 -3.698 0.061 1.00 1.96 H new ATOM 0 HB3 ARG A 42 -12.850 -5.077 0.667 1.00 1.96 H new ATOM 0 HG2 ARG A 42 -11.733 -4.650 2.948 1.00 1.70 H new ATOM 0 HG3 ARG A 42 -11.141 -3.141 2.283 1.00 1.70 H new ATOM 0 HD2 ARG A 42 -13.755 -2.923 1.551 1.00 1.75 H new ATOM 0 HD3 ARG A 42 -13.956 -3.951 2.956 1.00 1.75 H new ATOM 0 HE ARG A 42 -12.337 -1.474 3.225 1.00 2.26 H new ATOM 0 HH11 ARG A 42 -15.220 -3.263 4.282 1.00 3.27 H new ATOM 0 HH12 ARG A 42 -15.643 -2.006 5.449 1.00 3.27 H new ATOM 0 HH21 ARG A 42 -12.965 0.077 4.573 1.00 4.13 H new ATOM 0 HH22 ARG A 42 -14.379 -0.136 5.611 1.00 4.13 H new ATOM 631 N VAL A 43 -8.933 -3.830 0.269 1.00 1.10 N ATOM 632 CA VAL A 43 -7.761 -3.036 0.629 1.00 0.96 C ATOM 633 C VAL A 43 -7.892 -1.647 0.008 1.00 1.09 C ATOM 634 O VAL A 43 -8.286 -1.509 -1.149 1.00 1.59 O ATOM 635 CB VAL A 43 -6.421 -3.745 0.302 1.00 1.60 C ATOM 636 CG1 VAL A 43 -6.411 -4.392 -1.086 1.00 2.22 C ATOM 637 CG2 VAL A 43 -5.216 -2.798 0.391 1.00 1.68 C ATOM 0 H VAL A 43 -9.364 -3.534 -0.607 1.00 1.10 H new ATOM 0 HA VAL A 43 -7.731 -2.922 1.713 1.00 0.96 H new ATOM 0 HB VAL A 43 -6.334 -4.522 1.062 1.00 1.60 H new ATOM 0 HG11 VAL A 43 -5.447 -4.872 -1.257 1.00 2.22 H new ATOM 0 HG12 VAL A 43 -7.204 -5.138 -1.145 1.00 2.22 H new ATOM 0 HG13 VAL A 43 -6.575 -3.627 -1.845 1.00 2.22 H new ATOM 0 HG21 VAL A 43 -4.304 -3.346 0.153 1.00 1.68 H new ATOM 0 HG22 VAL A 43 -5.343 -1.980 -0.318 1.00 1.68 H new ATOM 0 HG23 VAL A 43 -5.144 -2.395 1.401 1.00 1.68 H new ATOM 647 N GLU A 44 -7.599 -0.639 0.825 1.00 0.76 N ATOM 648 CA GLU A 44 -7.785 0.783 0.543 1.00 0.72 C ATOM 649 C GLU A 44 -6.425 1.475 0.586 1.00 0.70 C ATOM 650 O GLU A 44 -5.669 1.243 1.533 1.00 0.72 O ATOM 651 CB GLU A 44 -8.655 1.396 1.652 1.00 0.70 C ATOM 652 CG GLU A 44 -10.099 0.879 1.649 1.00 0.82 C ATOM 653 CD GLU A 44 -10.793 1.118 2.988 1.00 1.06 C ATOM 654 OE1 GLU A 44 -10.473 2.110 3.681 1.00 2.01 O ATOM 655 OE2 GLU A 44 -11.667 0.281 3.322 1.00 1.90 O ATOM 0 H GLU A 44 -7.204 -0.800 1.752 1.00 0.76 H new ATOM 0 HA GLU A 44 -8.253 0.908 -0.433 1.00 0.72 H new ATOM 0 HB2 GLU A 44 -8.202 1.181 2.620 1.00 0.70 H new ATOM 0 HB3 GLU A 44 -8.665 2.480 1.539 1.00 0.70 H new ATOM 0 HG2 GLU A 44 -10.660 1.374 0.856 1.00 0.82 H new ATOM 0 HG3 GLU A 44 -10.102 -0.187 1.424 1.00 0.82 H new ATOM 662 N LEU A 45 -6.110 2.336 -0.391 1.00 0.67 N ATOM 663 CA LEU A 45 -4.946 3.198 -0.290 1.00 0.66 C ATOM 664 C LEU A 45 -5.253 4.415 0.583 1.00 0.56 C ATOM 665 O LEU A 45 -6.078 5.277 0.257 1.00 0.56 O ATOM 666 CB LEU A 45 -4.443 3.565 -1.688 1.00 0.74 C ATOM 667 CG LEU A 45 -2.984 4.052 -1.602 1.00 0.80 C ATOM 668 CD1 LEU A 45 -2.248 3.705 -2.883 1.00 0.86 C ATOM 669 CD2 LEU A 45 -2.890 5.563 -1.431 1.00 0.89 C ATOM 0 H LEU A 45 -6.647 2.447 -1.251 1.00 0.67 H new ATOM 0 HA LEU A 45 -4.135 2.666 0.206 1.00 0.66 H new ATOM 0 HB2 LEU A 45 -4.510 2.700 -2.348 1.00 0.74 H new ATOM 0 HB3 LEU A 45 -5.072 4.344 -2.119 1.00 0.74 H new ATOM 0 HG LEU A 45 -2.543 3.560 -0.735 1.00 0.80 H new ATOM 0 HD11 LEU A 45 -1.217 4.052 -2.816 1.00 0.86 H new ATOM 0 HD12 LEU A 45 -2.258 2.625 -3.027 1.00 0.86 H new ATOM 0 HD13 LEU A 45 -2.739 4.189 -3.727 1.00 0.86 H new ATOM 0 HD21 LEU A 45 -1.842 5.858 -1.375 1.00 0.89 H new ATOM 0 HD22 LEU A 45 -3.361 6.055 -2.282 1.00 0.89 H new ATOM 0 HD23 LEU A 45 -3.399 5.858 -0.513 1.00 0.89 H new ATOM 681 N HIS A 46 -4.528 4.486 1.691 1.00 0.50 N ATOM 682 CA HIS A 46 -4.529 5.608 2.605 1.00 0.47 C ATOM 683 C HIS A 46 -3.261 6.475 2.443 1.00 0.49 C ATOM 684 O HIS A 46 -2.156 6.012 2.142 1.00 0.56 O ATOM 685 CB HIS A 46 -4.701 5.111 4.053 1.00 0.48 C ATOM 686 CG HIS A 46 -6.052 4.551 4.484 1.00 0.46 C ATOM 687 ND1 HIS A 46 -6.480 4.488 5.812 1.00 0.53 N ATOM 688 CD2 HIS A 46 -7.062 4.061 3.699 1.00 0.49 C ATOM 689 CE1 HIS A 46 -7.686 3.894 5.793 1.00 0.59 C ATOM 690 NE2 HIS A 46 -8.063 3.616 4.536 1.00 0.54 N ATOM 0 H HIS A 46 -3.903 3.735 1.984 1.00 0.50 H new ATOM 0 HA HIS A 46 -5.377 6.249 2.362 1.00 0.47 H new ATOM 0 HB2 HIS A 46 -3.953 4.338 4.227 1.00 0.48 H new ATOM 0 HB3 HIS A 46 -4.461 5.941 4.717 1.00 0.48 H new ATOM 0 HD2 HIS A 46 -7.072 4.029 2.620 1.00 0.49 H new ATOM 0 HE1 HIS A 46 -8.273 3.671 6.672 1.00 0.59 H new ATOM 0 HE2 HIS A 46 -8.930 3.160 4.252 1.00 0.54 H new ATOM 698 N GLU A 47 -3.450 7.763 2.696 1.00 0.50 N ATOM 699 CA GLU A 47 -2.395 8.720 3.025 1.00 0.56 C ATOM 700 C GLU A 47 -2.074 8.641 4.522 1.00 0.46 C ATOM 701 O GLU A 47 -2.844 8.107 5.327 1.00 0.51 O ATOM 702 CB GLU A 47 -2.808 10.149 2.611 1.00 0.80 C ATOM 703 CG GLU A 47 -4.166 10.567 3.204 1.00 0.81 C ATOM 704 CD GLU A 47 -4.537 12.031 3.002 1.00 1.22 C ATOM 705 OE1 GLU A 47 -3.653 12.907 3.056 1.00 1.79 O ATOM 706 OE2 GLU A 47 -5.748 12.345 2.939 1.00 2.12 O ATOM 0 H GLU A 47 -4.377 8.189 2.678 1.00 0.50 H new ATOM 0 HA GLU A 47 -1.494 8.467 2.467 1.00 0.56 H new ATOM 0 HB2 GLU A 47 -2.042 10.853 2.935 1.00 0.80 H new ATOM 0 HB3 GLU A 47 -2.856 10.209 1.524 1.00 0.80 H new ATOM 0 HG2 GLU A 47 -4.945 9.947 2.761 1.00 0.81 H new ATOM 0 HG3 GLU A 47 -4.159 10.354 4.273 1.00 0.81 H new ATOM 713 N THR A 48 -0.939 9.205 4.927 1.00 0.61 N ATOM 714 CA THR A 48 -0.603 9.462 6.328 1.00 0.78 C ATOM 715 C THR A 48 0.091 10.812 6.366 1.00 1.03 C ATOM 716 O THR A 48 1.279 10.939 6.085 1.00 1.33 O ATOM 717 CB THR A 48 0.220 8.332 6.925 1.00 1.05 C ATOM 718 OG1 THR A 48 -0.574 7.181 6.805 1.00 1.13 O ATOM 719 CG2 THR A 48 0.532 8.565 8.403 1.00 1.26 C ATOM 0 H THR A 48 -0.211 9.503 4.278 1.00 0.61 H new ATOM 0 HA THR A 48 -1.495 9.497 6.954 1.00 0.78 H new ATOM 0 HB THR A 48 1.176 8.252 6.408 1.00 1.05 H new ATOM 0 HG1 THR A 48 -0.100 6.511 6.270 1.00 1.13 H new ATOM 0 HG21 THR A 48 1.121 7.732 8.786 1.00 1.26 H new ATOM 0 HG22 THR A 48 1.097 9.491 8.514 1.00 1.26 H new ATOM 0 HG23 THR A 48 -0.399 8.639 8.964 1.00 1.26 H new ATOM 727 N PHE A 49 -0.724 11.832 6.607 1.00 1.07 N ATOM 728 CA PHE A 49 -0.428 13.236 6.352 1.00 1.18 C ATOM 729 C PHE A 49 0.222 13.943 7.547 1.00 1.26 C ATOM 730 O PHE A 49 0.254 13.423 8.659 1.00 1.47 O ATOM 731 CB PHE A 49 -1.753 13.911 5.951 1.00 1.21 C ATOM 732 CG PHE A 49 -2.907 13.747 6.936 1.00 1.21 C ATOM 733 CD1 PHE A 49 -2.984 14.542 8.097 1.00 2.21 C ATOM 734 CD2 PHE A 49 -3.926 12.807 6.687 1.00 1.90 C ATOM 735 CE1 PHE A 49 -4.074 14.428 8.975 1.00 2.26 C ATOM 736 CE2 PHE A 49 -5.022 12.699 7.558 1.00 1.88 C ATOM 737 CZ PHE A 49 -5.099 13.511 8.696 1.00 1.29 C ATOM 0 H PHE A 49 -1.653 11.696 7.004 1.00 1.07 H new ATOM 0 HA PHE A 49 0.309 13.310 5.552 1.00 1.18 H new ATOM 0 HB2 PHE A 49 -1.568 14.976 5.811 1.00 1.21 H new ATOM 0 HB3 PHE A 49 -2.065 13.512 4.986 1.00 1.21 H new ATOM 0 HD1 PHE A 49 -2.195 15.247 8.314 1.00 2.21 H new ATOM 0 HD2 PHE A 49 -3.864 12.165 5.821 1.00 1.90 H new ATOM 0 HE1 PHE A 49 -4.123 15.043 9.861 1.00 2.26 H new ATOM 0 HE2 PHE A 49 -5.808 11.988 7.350 1.00 1.88 H new ATOM 0 HZ PHE A 49 -5.948 13.432 9.359 1.00 1.29 H new ATOM 747 N MET A 50 0.643 15.197 7.338 1.00 1.21 N ATOM 748 CA MET A 50 0.619 16.230 8.384 1.00 1.13 C ATOM 749 C MET A 50 -0.399 17.300 7.982 1.00 1.15 C ATOM 750 O MET A 50 -0.363 17.757 6.843 1.00 1.61 O ATOM 751 CB MET A 50 1.989 16.898 8.565 1.00 1.36 C ATOM 752 CG MET A 50 3.072 15.915 9.018 1.00 2.68 C ATOM 753 SD MET A 50 4.570 16.686 9.693 1.00 3.35 S ATOM 754 CE MET A 50 5.069 17.725 8.297 1.00 3.30 C ATOM 0 H MET A 50 1.008 15.524 6.444 1.00 1.21 H new ATOM 0 HA MET A 50 0.350 15.754 9.327 1.00 1.13 H new ATOM 0 HB2 MET A 50 2.292 17.357 7.624 1.00 1.36 H new ATOM 0 HB3 MET A 50 1.903 17.700 9.298 1.00 1.36 H new ATOM 0 HG2 MET A 50 2.649 15.254 9.774 1.00 2.68 H new ATOM 0 HG3 MET A 50 3.353 15.290 8.170 1.00 2.68 H new ATOM 0 HE1 MET A 50 6.025 18.199 8.519 1.00 3.30 H new ATOM 0 HE2 MET A 50 5.168 17.110 7.403 1.00 3.30 H new ATOM 0 HE3 MET A 50 4.315 18.493 8.127 1.00 3.30 H new ATOM 764 N ARG A 51 -1.287 17.677 8.908 1.00 1.08 N ATOM 765 CA ARG A 51 -2.268 18.768 8.789 1.00 1.21 C ATOM 766 C ARG A 51 -2.543 19.357 10.184 1.00 1.31 C ATOM 767 O ARG A 51 -2.216 18.731 11.203 1.00 1.37 O ATOM 768 CB ARG A 51 -3.582 18.273 8.134 1.00 1.49 C ATOM 769 CG ARG A 51 -3.415 17.843 6.665 1.00 2.91 C ATOM 770 CD ARG A 51 -4.728 17.429 5.990 1.00 3.29 C ATOM 771 NE ARG A 51 -4.490 17.068 4.574 1.00 4.88 N ATOM 772 CZ ARG A 51 -4.515 15.850 4.031 1.00 6.00 C ATOM 773 NH1 ARG A 51 -4.946 14.788 4.663 1.00 5.98 N ATOM 774 NH2 ARG A 51 -4.072 15.630 2.813 1.00 7.55 N ATOM 0 H ARG A 51 -1.346 17.205 9.811 1.00 1.08 H new ATOM 0 HA ARG A 51 -1.856 19.543 8.143 1.00 1.21 H new ATOM 0 HB2 ARG A 51 -3.970 17.432 8.708 1.00 1.49 H new ATOM 0 HB3 ARG A 51 -4.327 19.067 8.189 1.00 1.49 H new ATOM 0 HG2 ARG A 51 -2.972 18.665 6.103 1.00 2.91 H new ATOM 0 HG3 ARG A 51 -2.714 17.010 6.617 1.00 2.91 H new ATOM 0 HD2 ARG A 51 -5.165 16.582 6.519 1.00 3.29 H new ATOM 0 HD3 ARG A 51 -5.447 18.246 6.048 1.00 3.29 H new ATOM 0 HE ARG A 51 -4.283 17.840 3.940 1.00 4.88 H new ATOM 0 HH11 ARG A 51 -5.286 14.868 5.621 1.00 5.98 H new ATOM 0 HH12 ARG A 51 -4.942 13.881 4.197 1.00 5.98 H new ATOM 0 HH21 ARG A 51 -3.698 16.401 2.259 1.00 7.55 H new ATOM 0 HH22 ARG A 51 -4.103 14.689 2.421 1.00 7.55 H new ATOM 788 N GLU A 52 -3.149 20.539 10.242 1.00 1.46 N ATOM 789 CA GLU A 52 -3.445 21.229 11.497 1.00 1.56 C ATOM 790 C GLU A 52 -4.846 20.913 12.001 1.00 1.68 C ATOM 791 O GLU A 52 -5.762 20.672 11.219 1.00 1.83 O ATOM 792 CB GLU A 52 -3.235 22.740 11.363 1.00 1.73 C ATOM 793 CG GLU A 52 -1.742 23.072 11.368 1.00 1.97 C ATOM 794 CD GLU A 52 -1.013 22.422 10.188 1.00 2.84 C ATOM 795 OE1 GLU A 52 -1.348 22.759 9.037 1.00 3.72 O ATOM 796 OE2 GLU A 52 -0.278 21.441 10.444 1.00 3.68 O ATOM 0 H GLU A 52 -3.452 21.051 9.413 1.00 1.46 H new ATOM 0 HA GLU A 52 -2.741 20.857 12.241 1.00 1.56 H new ATOM 0 HB2 GLU A 52 -3.690 23.097 10.439 1.00 1.73 H new ATOM 0 HB3 GLU A 52 -3.732 23.257 12.184 1.00 1.73 H new ATOM 0 HG2 GLU A 52 -1.610 24.153 11.327 1.00 1.97 H new ATOM 0 HG3 GLU A 52 -1.297 22.732 12.303 1.00 1.97 H new ATOM 803 N VAL A 53 -4.984 20.910 13.326 1.00 1.74 N ATOM 804 CA VAL A 53 -6.178 20.330 13.992 1.00 2.18 C ATOM 805 C VAL A 53 -6.647 21.060 15.264 1.00 2.62 C ATOM 806 O VAL A 53 -7.723 20.785 15.784 1.00 4.05 O ATOM 807 CB VAL A 53 -5.976 18.812 14.200 1.00 2.33 C ATOM 808 CG1 VAL A 53 -5.061 18.559 15.397 1.00 2.91 C ATOM 809 CG2 VAL A 53 -7.284 18.017 14.335 1.00 2.94 C ATOM 0 H VAL A 53 -4.293 21.298 13.969 1.00 1.74 H new ATOM 0 HA VAL A 53 -7.015 20.486 13.312 1.00 2.18 H new ATOM 0 HB VAL A 53 -5.503 18.442 13.290 1.00 2.33 H new ATOM 0 HG11 VAL A 53 -4.927 17.486 15.532 1.00 2.91 H new ATOM 0 HG12 VAL A 53 -4.092 19.026 15.220 1.00 2.91 H new ATOM 0 HG13 VAL A 53 -5.510 18.985 16.294 1.00 2.91 H new ATOM 0 HG21 VAL A 53 -7.055 16.961 14.478 1.00 2.94 H new ATOM 0 HG22 VAL A 53 -7.847 18.386 15.193 1.00 2.94 H new ATOM 0 HG23 VAL A 53 -7.879 18.140 13.430 1.00 2.94 H new ATOM 819 N GLU A 54 -5.857 22.018 15.750 1.00 1.97 N ATOM 820 CA GLU A 54 -6.064 22.742 17.004 1.00 2.27 C ATOM 821 C GLU A 54 -5.207 24.029 17.003 1.00 2.10 C ATOM 822 O GLU A 54 -4.515 24.346 17.970 1.00 2.17 O ATOM 823 CB GLU A 54 -5.710 21.801 18.172 1.00 2.49 C ATOM 824 CG GLU A 54 -6.343 22.278 19.484 1.00 2.72 C ATOM 825 CD GLU A 54 -5.402 22.150 20.682 1.00 2.67 C ATOM 826 OE1 GLU A 54 -4.519 21.259 20.692 1.00 3.24 O ATOM 827 OE2 GLU A 54 -5.425 23.047 21.553 1.00 2.89 O ATOM 0 H GLU A 54 -5.018 22.324 15.258 1.00 1.97 H new ATOM 0 HA GLU A 54 -7.104 23.049 17.116 1.00 2.27 H new ATOM 0 HB2 GLU A 54 -6.054 20.792 17.946 1.00 2.49 H new ATOM 0 HB3 GLU A 54 -4.627 21.751 18.286 1.00 2.49 H new ATOM 0 HG2 GLU A 54 -6.647 23.319 19.377 1.00 2.72 H new ATOM 0 HG3 GLU A 54 -7.247 21.700 19.676 1.00 2.72 H new ATOM 834 N GLY A 55 -5.071 24.662 15.828 1.00 2.10 N ATOM 835 CA GLY A 55 -3.997 25.628 15.529 1.00 2.23 C ATOM 836 C GLY A 55 -2.600 24.990 15.434 1.00 2.01 C ATOM 837 O GLY A 55 -1.655 25.628 14.988 1.00 2.37 O ATOM 0 H GLY A 55 -5.711 24.517 15.047 1.00 2.10 H new ATOM 0 HA2 GLY A 55 -4.223 26.129 14.588 1.00 2.23 H new ATOM 0 HA3 GLY A 55 -3.984 26.395 16.303 1.00 2.23 H new ATOM 841 N LYS A 56 -2.469 23.726 15.847 1.00 1.67 N ATOM 842 CA LYS A 56 -1.237 22.949 15.934 1.00 1.64 C ATOM 843 C LYS A 56 -1.238 21.791 14.924 1.00 1.48 C ATOM 844 O LYS A 56 -2.297 21.264 14.565 1.00 1.33 O ATOM 845 CB LYS A 56 -1.123 22.439 17.381 1.00 1.58 C ATOM 846 CG LYS A 56 -0.608 23.534 18.334 1.00 2.26 C ATOM 847 CD LYS A 56 -0.902 23.213 19.807 1.00 2.42 C ATOM 848 CE LYS A 56 -2.339 23.621 20.156 1.00 2.52 C ATOM 849 NZ LYS A 56 -2.760 23.128 21.486 1.00 2.62 N ATOM 0 H LYS A 56 -3.279 23.185 16.149 1.00 1.67 H new ATOM 0 HA LYS A 56 -0.375 23.567 15.684 1.00 1.64 H new ATOM 0 HB2 LYS A 56 -2.098 22.090 17.721 1.00 1.58 H new ATOM 0 HB3 LYS A 56 -0.449 21.583 17.413 1.00 1.58 H new ATOM 0 HG2 LYS A 56 0.467 23.654 18.198 1.00 2.26 H new ATOM 0 HG3 LYS A 56 -1.070 24.486 18.073 1.00 2.26 H new ATOM 0 HD2 LYS A 56 -0.763 22.148 19.990 1.00 2.42 H new ATOM 0 HD3 LYS A 56 -0.199 23.742 20.450 1.00 2.42 H new ATOM 0 HE2 LYS A 56 -2.421 24.708 20.132 1.00 2.52 H new ATOM 0 HE3 LYS A 56 -3.018 23.233 19.397 1.00 2.52 H new ATOM 0 HZ1 LYS A 56 -3.657 23.579 21.755 1.00 2.62 H new ATOM 0 HZ2 LYS A 56 -2.889 22.097 21.449 1.00 2.62 H new ATOM 0 HZ3 LYS A 56 -2.030 23.361 22.190 1.00 2.62 H new ATOM 863 N LYS A 57 -0.034 21.412 14.479 1.00 1.62 N ATOM 864 CA LYS A 57 0.232 20.432 13.410 1.00 1.52 C ATOM 865 C LYS A 57 0.295 18.977 13.910 1.00 1.32 C ATOM 866 O LYS A 57 1.055 18.694 14.837 1.00 1.57 O ATOM 867 CB LYS A 57 1.536 20.849 12.690 1.00 1.90 C ATOM 868 CG LYS A 57 2.828 20.915 13.536 1.00 2.11 C ATOM 869 CD LYS A 57 3.948 20.005 13.008 1.00 2.98 C ATOM 870 CE LYS A 57 3.579 18.520 13.141 1.00 4.36 C ATOM 871 NZ LYS A 57 4.684 17.634 12.704 1.00 6.13 N ATOM 0 H LYS A 57 0.825 21.797 14.871 1.00 1.62 H new ATOM 0 HA LYS A 57 -0.606 20.445 12.714 1.00 1.52 H new ATOM 0 HB2 LYS A 57 1.706 20.151 11.870 1.00 1.90 H new ATOM 0 HB3 LYS A 57 1.375 21.831 12.244 1.00 1.90 H new ATOM 0 HG2 LYS A 57 3.186 21.944 13.559 1.00 2.11 H new ATOM 0 HG3 LYS A 57 2.596 20.635 14.563 1.00 2.11 H new ATOM 0 HD2 LYS A 57 4.145 20.239 11.962 1.00 2.98 H new ATOM 0 HD3 LYS A 57 4.868 20.203 13.558 1.00 2.98 H new ATOM 0 HE2 LYS A 57 3.326 18.300 14.178 1.00 4.36 H new ATOM 0 HE3 LYS A 57 2.690 18.312 12.545 1.00 4.36 H new ATOM 0 HZ1 LYS A 57 4.841 16.896 13.420 1.00 6.13 H new ATOM 0 HZ2 LYS A 57 4.435 17.190 11.797 1.00 6.13 H new ATOM 0 HZ3 LYS A 57 5.553 18.194 12.588 1.00 6.13 H new ATOM 885 N VAL A 58 -0.433 18.038 13.292 1.00 1.10 N ATOM 886 CA VAL A 58 -0.563 16.644 13.781 1.00 1.04 C ATOM 887 C VAL A 58 -0.588 15.638 12.611 1.00 0.96 C ATOM 888 O VAL A 58 -1.046 15.965 11.517 1.00 1.08 O ATOM 889 CB VAL A 58 -1.818 16.508 14.692 1.00 1.18 C ATOM 890 CG1 VAL A 58 -2.057 15.074 15.185 1.00 1.74 C ATOM 891 CG2 VAL A 58 -1.718 17.414 15.935 1.00 1.61 C ATOM 0 H VAL A 58 -0.954 18.217 12.434 1.00 1.10 H new ATOM 0 HA VAL A 58 0.315 16.404 14.381 1.00 1.04 H new ATOM 0 HB VAL A 58 -2.653 16.810 14.059 1.00 1.18 H new ATOM 0 HG11 VAL A 58 -2.947 15.049 15.814 1.00 1.74 H new ATOM 0 HG12 VAL A 58 -2.199 14.414 14.329 1.00 1.74 H new ATOM 0 HG13 VAL A 58 -1.195 14.739 15.762 1.00 1.74 H new ATOM 0 HG21 VAL A 58 -2.612 17.292 16.547 1.00 1.61 H new ATOM 0 HG22 VAL A 58 -0.839 17.137 16.517 1.00 1.61 H new ATOM 0 HG23 VAL A 58 -1.632 18.454 15.621 1.00 1.61 H new ATOM 901 N MET A 59 -0.049 14.427 12.828 1.00 1.09 N ATOM 902 CA MET A 59 -0.133 13.294 11.895 1.00 1.09 C ATOM 903 C MET A 59 -1.438 12.501 12.014 1.00 1.04 C ATOM 904 O MET A 59 -1.878 12.202 13.120 1.00 1.25 O ATOM 905 CB MET A 59 1.040 12.335 12.114 1.00 1.27 C ATOM 906 CG MET A 59 2.279 12.956 11.491 1.00 2.01 C ATOM 907 SD MET A 59 3.830 12.140 11.889 1.00 3.00 S ATOM 908 CE MET A 59 4.824 13.381 11.058 1.00 3.62 C ATOM 0 H MET A 59 0.469 14.205 13.678 1.00 1.09 H new ATOM 0 HA MET A 59 -0.100 13.730 10.897 1.00 1.09 H new ATOM 0 HB2 MET A 59 1.196 12.161 13.179 1.00 1.27 H new ATOM 0 HB3 MET A 59 0.830 11.367 11.660 1.00 1.27 H new ATOM 0 HG2 MET A 59 2.157 12.961 10.408 1.00 2.01 H new ATOM 0 HG3 MET A 59 2.343 13.997 11.809 1.00 2.01 H new ATOM 0 HE1 MET A 59 5.879 13.121 11.147 1.00 3.62 H new ATOM 0 HE2 MET A 59 4.548 13.423 10.004 1.00 3.62 H new ATOM 0 HE3 MET A 59 4.650 14.354 11.517 1.00 3.62 H new ATOM 918 N GLY A 60 -2.018 12.098 10.879 1.00 0.98 N ATOM 919 CA GLY A 60 -3.194 11.216 10.821 1.00 1.05 C ATOM 920 C GLY A 60 -3.312 10.449 9.506 1.00 0.89 C ATOM 921 O GLY A 60 -2.629 10.769 8.539 1.00 1.08 O ATOM 0 H GLY A 60 -1.680 12.379 9.958 1.00 0.98 H new ATOM 0 HA2 GLY A 60 -3.146 10.504 11.645 1.00 1.05 H new ATOM 0 HA3 GLY A 60 -4.094 11.813 10.967 1.00 1.05 H new ATOM 925 N MET A 61 -4.188 9.443 9.464 1.00 0.80 N ATOM 926 CA MET A 61 -4.432 8.581 8.296 1.00 0.70 C ATOM 927 C MET A 61 -5.787 8.887 7.636 1.00 0.61 C ATOM 928 O MET A 61 -6.621 9.586 8.216 1.00 0.76 O ATOM 929 CB MET A 61 -4.335 7.097 8.694 1.00 0.81 C ATOM 930 CG MET A 61 -2.988 6.740 9.341 1.00 1.05 C ATOM 931 SD MET A 61 -2.858 7.086 11.114 1.00 1.66 S ATOM 932 CE MET A 61 -1.151 6.546 11.364 1.00 1.72 C ATOM 0 H MET A 61 -4.768 9.194 10.266 1.00 0.80 H new ATOM 0 HA MET A 61 -3.659 8.794 7.558 1.00 0.70 H new ATOM 0 HB2 MET A 61 -5.141 6.859 9.388 1.00 0.81 H new ATOM 0 HB3 MET A 61 -4.483 6.478 7.809 1.00 0.81 H new ATOM 0 HG2 MET A 61 -2.798 5.679 9.181 1.00 1.05 H new ATOM 0 HG3 MET A 61 -2.200 7.287 8.823 1.00 1.05 H new ATOM 0 HE1 MET A 61 -0.899 6.614 12.422 1.00 1.72 H new ATOM 0 HE2 MET A 61 -1.044 5.514 11.031 1.00 1.72 H new ATOM 0 HE3 MET A 61 -0.480 7.184 10.789 1.00 1.72 H new ATOM 942 N ARG A 62 -6.011 8.385 6.415 1.00 0.62 N ATOM 943 CA ARG A 62 -7.212 8.650 5.599 1.00 0.51 C ATOM 944 C ARG A 62 -7.134 7.905 4.259 1.00 0.44 C ATOM 945 O ARG A 62 -6.089 8.036 3.625 1.00 0.43 O ATOM 946 CB ARG A 62 -7.308 10.163 5.289 1.00 0.77 C ATOM 947 CG ARG A 62 -8.642 10.807 5.699 1.00 1.44 C ATOM 948 CD ARG A 62 -8.716 12.295 5.301 1.00 1.70 C ATOM 949 NE ARG A 62 -8.342 12.508 3.891 1.00 2.30 N ATOM 950 CZ ARG A 62 -8.947 11.980 2.837 1.00 3.00 C ATOM 951 NH1 ARG A 62 -10.199 11.572 2.852 1.00 3.44 N ATOM 952 NH2 ARG A 62 -8.229 11.797 1.758 1.00 4.22 N ATOM 0 H ARG A 62 -5.346 7.766 5.951 1.00 0.62 H new ATOM 0 HA ARG A 62 -8.081 8.311 6.163 1.00 0.51 H new ATOM 0 HB2 ARG A 62 -6.496 10.679 5.801 1.00 0.77 H new ATOM 0 HB3 ARG A 62 -7.158 10.314 4.220 1.00 0.77 H new ATOM 0 HG2 ARG A 62 -9.464 10.266 5.231 1.00 1.44 H new ATOM 0 HG3 ARG A 62 -8.772 10.714 6.777 1.00 1.44 H new ATOM 0 HD2 ARG A 62 -9.728 12.665 5.468 1.00 1.70 H new ATOM 0 HD3 ARG A 62 -8.054 12.876 5.944 1.00 1.70 H new ATOM 0 HE ARG A 62 -7.544 13.118 3.710 1.00 2.30 H new ATOM 0 HH11 ARG A 62 -10.752 11.655 3.705 1.00 3.44 H new ATOM 0 HH12 ARG A 62 -10.615 11.173 2.011 1.00 3.44 H new ATOM 0 HH21 ARG A 62 -7.243 12.058 1.751 1.00 4.22 H new ATOM 0 HH22 ARG A 62 -8.655 11.393 0.924 1.00 4.22 H new ATOM 966 N PRO A 63 -8.186 7.240 3.744 1.00 0.44 N ATOM 967 CA PRO A 63 -8.205 6.782 2.356 1.00 0.43 C ATOM 968 C PRO A 63 -8.242 7.962 1.380 1.00 0.45 C ATOM 969 O PRO A 63 -8.911 8.966 1.631 1.00 0.49 O ATOM 970 CB PRO A 63 -9.405 5.851 2.197 1.00 0.46 C ATOM 971 CG PRO A 63 -10.307 6.224 3.365 1.00 0.53 C ATOM 972 CD PRO A 63 -9.406 6.854 4.429 1.00 0.52 C ATOM 0 HA PRO A 63 -7.291 6.238 2.117 1.00 0.43 H new ATOM 0 HB2 PRO A 63 -9.905 6.002 1.240 1.00 0.46 H new ATOM 0 HB3 PRO A 63 -9.108 4.803 2.239 1.00 0.46 H new ATOM 0 HG2 PRO A 63 -11.081 6.924 3.049 1.00 0.53 H new ATOM 0 HG3 PRO A 63 -10.815 5.344 3.759 1.00 0.53 H new ATOM 0 HD2 PRO A 63 -9.887 7.719 4.885 1.00 0.52 H new ATOM 0 HD3 PRO A 63 -9.196 6.146 5.231 1.00 0.52 H new ATOM 980 N VAL A 64 -7.540 7.815 0.255 1.00 0.51 N ATOM 981 CA VAL A 64 -7.567 8.747 -0.891 1.00 0.54 C ATOM 982 C VAL A 64 -8.220 8.069 -2.104 1.00 0.57 C ATOM 983 O VAL A 64 -8.223 6.839 -2.168 1.00 0.56 O ATOM 984 CB VAL A 64 -6.152 9.240 -1.284 1.00 0.57 C ATOM 985 CG1 VAL A 64 -5.717 10.375 -0.351 1.00 0.59 C ATOM 986 CG2 VAL A 64 -5.089 8.134 -1.299 1.00 0.58 C ATOM 0 H VAL A 64 -6.916 7.022 0.104 1.00 0.51 H new ATOM 0 HA VAL A 64 -8.150 9.615 -0.583 1.00 0.54 H new ATOM 0 HB VAL A 64 -6.228 9.599 -2.310 1.00 0.57 H new ATOM 0 HG11 VAL A 64 -4.721 10.717 -0.633 1.00 0.59 H new ATOM 0 HG12 VAL A 64 -6.421 11.203 -0.432 1.00 0.59 H new ATOM 0 HG13 VAL A 64 -5.699 10.014 0.677 1.00 0.59 H new ATOM 0 HG21 VAL A 64 -4.126 8.559 -1.583 1.00 0.58 H new ATOM 0 HG22 VAL A 64 -5.011 7.691 -0.306 1.00 0.58 H new ATOM 0 HG23 VAL A 64 -5.373 7.366 -2.018 1.00 0.58 H new ATOM 996 N PRO A 65 -8.750 8.835 -3.080 1.00 0.64 N ATOM 997 CA PRO A 65 -9.283 8.262 -4.312 1.00 0.68 C ATOM 998 C PRO A 65 -8.187 7.635 -5.183 1.00 0.64 C ATOM 999 O PRO A 65 -8.511 6.757 -5.976 1.00 0.63 O ATOM 1000 CB PRO A 65 -9.987 9.420 -5.028 1.00 0.75 C ATOM 1001 CG PRO A 65 -9.219 10.650 -4.549 1.00 0.76 C ATOM 1002 CD PRO A 65 -8.884 10.287 -3.103 1.00 0.70 C ATOM 0 HA PRO A 65 -9.970 7.443 -4.101 1.00 0.68 H new ATOM 0 HB2 PRO A 65 -9.938 9.312 -6.112 1.00 0.75 H new ATOM 0 HB3 PRO A 65 -11.042 9.476 -4.761 1.00 0.75 H new ATOM 0 HG2 PRO A 65 -8.321 10.825 -5.142 1.00 0.76 H new ATOM 0 HG3 PRO A 65 -9.823 11.555 -4.611 1.00 0.76 H new ATOM 0 HD2 PRO A 65 -7.961 10.770 -2.782 1.00 0.70 H new ATOM 0 HD3 PRO A 65 -9.670 10.618 -2.424 1.00 0.70 H new ATOM 1010 N PHE A 66 -6.915 8.050 -5.028 1.00 0.66 N ATOM 1011 CA PHE A 66 -5.754 7.530 -5.759 1.00 0.66 C ATOM 1012 C PHE A 66 -4.418 8.105 -5.251 1.00 0.69 C ATOM 1013 O PHE A 66 -4.373 9.133 -4.573 1.00 0.75 O ATOM 1014 CB PHE A 66 -5.901 7.757 -7.281 1.00 0.65 C ATOM 1015 CG PHE A 66 -6.074 9.195 -7.730 1.00 0.69 C ATOM 1016 CD1 PHE A 66 -4.952 10.018 -7.945 1.00 1.97 C ATOM 1017 CD2 PHE A 66 -7.363 9.700 -7.982 1.00 2.16 C ATOM 1018 CE1 PHE A 66 -5.116 11.334 -8.406 1.00 1.95 C ATOM 1019 CE2 PHE A 66 -7.529 11.017 -8.440 1.00 2.23 C ATOM 1020 CZ PHE A 66 -6.405 11.837 -8.655 1.00 0.87 C ATOM 0 H PHE A 66 -6.664 8.783 -4.365 1.00 0.66 H new ATOM 0 HA PHE A 66 -5.730 6.457 -5.567 1.00 0.66 H new ATOM 0 HB2 PHE A 66 -5.020 7.348 -7.775 1.00 0.65 H new ATOM 0 HB3 PHE A 66 -6.759 7.183 -7.632 1.00 0.65 H new ATOM 0 HD1 PHE A 66 -3.960 9.635 -7.754 1.00 1.97 H new ATOM 0 HD2 PHE A 66 -8.228 9.073 -7.823 1.00 2.16 H new ATOM 0 HE1 PHE A 66 -4.251 11.960 -8.569 1.00 1.95 H new ATOM 0 HE2 PHE A 66 -8.521 11.402 -8.628 1.00 2.23 H new ATOM 0 HZ PHE A 66 -6.533 12.849 -9.010 1.00 0.87 H new ATOM 1030 N LEU A 67 -3.325 7.457 -5.666 1.00 0.68 N ATOM 1031 CA LEU A 67 -1.999 8.042 -5.869 1.00 0.71 C ATOM 1032 C LEU A 67 -1.677 8.062 -7.372 1.00 0.72 C ATOM 1033 O LEU A 67 -2.432 7.532 -8.187 1.00 0.81 O ATOM 1034 CB LEU A 67 -0.944 7.206 -5.113 1.00 0.75 C ATOM 1035 CG LEU A 67 -0.634 7.661 -3.678 1.00 0.79 C ATOM 1036 CD1 LEU A 67 0.487 6.753 -3.151 1.00 1.12 C ATOM 1037 CD2 LEU A 67 -0.153 9.120 -3.610 1.00 1.21 C ATOM 0 H LEU A 67 -3.344 6.460 -5.880 1.00 0.68 H new ATOM 0 HA LEU A 67 -1.984 9.062 -5.485 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -1.283 6.171 -5.081 1.00 0.75 H new ATOM 0 HB3 LEU A 67 -0.017 7.220 -5.687 1.00 0.75 H new ATOM 0 HG LEU A 67 -1.546 7.594 -3.085 1.00 0.79 H new ATOM 0 HD11 LEU A 67 0.740 7.042 -2.131 1.00 1.12 H new ATOM 0 HD12 LEU A 67 0.151 5.716 -3.162 1.00 1.12 H new ATOM 0 HD13 LEU A 67 1.367 6.856 -3.786 1.00 1.12 H new ATOM 0 HD21 LEU A 67 0.051 9.388 -2.573 1.00 1.21 H new ATOM 0 HD22 LEU A 67 0.757 9.231 -4.199 1.00 1.21 H new ATOM 0 HD23 LEU A 67 -0.926 9.777 -4.009 1.00 1.21 H new ATOM 1049 N GLU A 68 -0.529 8.606 -7.765 1.00 0.71 N ATOM 1050 CA GLU A 68 -0.072 8.604 -9.158 1.00 0.82 C ATOM 1051 C GLU A 68 1.447 8.675 -9.251 1.00 0.82 C ATOM 1052 O GLU A 68 2.116 8.819 -8.232 1.00 0.72 O ATOM 1053 CB GLU A 68 -0.789 9.690 -9.970 1.00 0.96 C ATOM 1054 CG GLU A 68 -0.307 11.123 -9.758 1.00 1.05 C ATOM 1055 CD GLU A 68 -1.128 11.996 -10.701 1.00 1.27 C ATOM 1056 OE1 GLU A 68 -2.357 12.113 -10.492 1.00 2.26 O ATOM 1057 OE2 GLU A 68 -0.618 12.375 -11.771 1.00 2.00 O ATOM 0 H GLU A 68 0.118 9.065 -7.124 1.00 0.71 H new ATOM 0 HA GLU A 68 -0.347 7.651 -9.611 1.00 0.82 H new ATOM 0 HB2 GLU A 68 -0.688 9.448 -11.028 1.00 0.96 H new ATOM 0 HB3 GLU A 68 -1.852 9.648 -9.733 1.00 0.96 H new ATOM 0 HG2 GLU A 68 -0.448 11.431 -8.722 1.00 1.05 H new ATOM 0 HG3 GLU A 68 0.758 11.211 -9.975 1.00 1.05 H new ATOM 1064 N VAL A 69 1.985 8.494 -10.458 1.00 1.01 N ATOM 1065 CA VAL A 69 3.419 8.259 -10.672 1.00 1.00 C ATOM 1066 C VAL A 69 3.840 8.777 -12.053 1.00 1.03 C ATOM 1067 O VAL A 69 3.148 8.477 -13.026 1.00 1.17 O ATOM 1068 CB VAL A 69 3.780 6.746 -10.593 1.00 1.14 C ATOM 1069 CG1 VAL A 69 5.268 6.560 -10.267 1.00 1.08 C ATOM 1070 CG2 VAL A 69 2.965 5.911 -9.585 1.00 1.33 C ATOM 0 H VAL A 69 1.439 8.506 -11.319 1.00 1.01 H new ATOM 0 HA VAL A 69 3.947 8.791 -9.881 1.00 1.00 H new ATOM 0 HB VAL A 69 3.526 6.371 -11.584 1.00 1.14 H new ATOM 0 HG11 VAL A 69 5.499 5.496 -10.216 1.00 1.08 H new ATOM 0 HG12 VAL A 69 5.872 7.026 -11.046 1.00 1.08 H new ATOM 0 HG13 VAL A 69 5.491 7.026 -9.307 1.00 1.08 H new ATOM 0 HG21 VAL A 69 3.301 4.875 -9.615 1.00 1.33 H new ATOM 0 HG22 VAL A 69 3.109 6.310 -8.581 1.00 1.33 H new ATOM 0 HG23 VAL A 69 1.908 5.957 -9.845 1.00 1.33 H new ATOM 1080 N PRO A 70 4.963 9.507 -12.191 1.00 0.94 N ATOM 1081 CA PRO A 70 5.489 9.863 -13.502 1.00 0.95 C ATOM 1082 C PRO A 70 6.138 8.647 -14.199 1.00 0.99 C ATOM 1083 O PRO A 70 6.344 7.607 -13.571 1.00 1.09 O ATOM 1084 CB PRO A 70 6.492 10.990 -13.236 1.00 0.93 C ATOM 1085 CG PRO A 70 6.999 10.695 -11.826 1.00 0.92 C ATOM 1086 CD PRO A 70 5.788 10.071 -11.131 1.00 0.90 C ATOM 0 HA PRO A 70 4.705 10.188 -14.186 1.00 0.95 H new ATOM 0 HB2 PRO A 70 7.304 10.984 -13.963 1.00 0.93 H new ATOM 0 HB3 PRO A 70 6.019 11.970 -13.295 1.00 0.93 H new ATOM 0 HG2 PRO A 70 7.849 10.012 -11.840 1.00 0.92 H new ATOM 0 HG3 PRO A 70 7.328 11.603 -11.320 1.00 0.92 H new ATOM 0 HD2 PRO A 70 6.098 9.300 -10.425 1.00 0.90 H new ATOM 0 HD3 PRO A 70 5.236 10.820 -10.563 1.00 0.90 H new ATOM 1094 N PRO A 71 6.478 8.765 -15.495 1.00 0.97 N ATOM 1095 CA PRO A 71 7.340 7.821 -16.203 1.00 0.94 C ATOM 1096 C PRO A 71 8.762 7.819 -15.643 1.00 0.94 C ATOM 1097 O PRO A 71 9.263 8.859 -15.218 1.00 0.97 O ATOM 1098 CB PRO A 71 7.279 8.222 -17.669 1.00 0.98 C ATOM 1099 CG PRO A 71 6.745 9.652 -17.699 1.00 1.04 C ATOM 1100 CD PRO A 71 6.018 9.825 -16.375 1.00 1.00 C ATOM 0 HA PRO A 71 7.000 6.793 -16.075 1.00 0.94 H new ATOM 0 HB2 PRO A 71 8.265 8.165 -18.129 1.00 0.98 H new ATOM 0 HB3 PRO A 71 6.627 7.551 -18.229 1.00 0.98 H new ATOM 0 HG2 PRO A 71 7.555 10.374 -17.803 1.00 1.04 H new ATOM 0 HG3 PRO A 71 6.072 9.805 -18.543 1.00 1.04 H new ATOM 0 HD2 PRO A 71 6.230 10.803 -15.944 1.00 1.00 H new ATOM 0 HD3 PRO A 71 4.939 9.767 -16.517 1.00 1.00 H new ATOM 1108 N LYS A 72 9.395 6.635 -15.577 1.00 0.92 N ATOM 1109 CA LYS A 72 10.650 6.392 -14.849 1.00 0.94 C ATOM 1110 C LYS A 72 10.629 6.728 -13.346 1.00 1.09 C ATOM 1111 O LYS A 72 11.643 6.731 -12.650 1.00 1.25 O ATOM 1112 CB LYS A 72 11.788 7.054 -15.618 1.00 0.91 C ATOM 1113 CG LYS A 72 12.648 5.963 -16.227 1.00 1.25 C ATOM 1114 CD LYS A 72 12.022 5.044 -17.289 1.00 0.84 C ATOM 1115 CE LYS A 72 11.462 5.789 -18.507 1.00 1.19 C ATOM 1116 NZ LYS A 72 11.071 4.839 -19.571 1.00 1.36 N ATOM 0 H LYS A 72 9.038 5.800 -16.041 1.00 0.92 H new ATOM 0 HA LYS A 72 10.809 5.314 -14.818 1.00 0.94 H new ATOM 0 HB2 LYS A 72 11.392 7.705 -16.397 1.00 0.91 H new ATOM 0 HB3 LYS A 72 12.383 7.680 -14.952 1.00 0.91 H new ATOM 0 HG2 LYS A 72 13.521 6.439 -16.673 1.00 1.25 H new ATOM 0 HG3 LYS A 72 13.009 5.333 -15.414 1.00 1.25 H new ATOM 0 HD2 LYS A 72 12.774 4.331 -17.626 1.00 0.84 H new ATOM 0 HD3 LYS A 72 11.220 4.467 -16.828 1.00 0.84 H new ATOM 0 HE2 LYS A 72 10.598 6.384 -18.209 1.00 1.19 H new ATOM 0 HE3 LYS A 72 12.210 6.483 -18.890 1.00 1.19 H new ATOM 0 HZ1 LYS A 72 10.988 5.346 -20.475 1.00 1.36 H new ATOM 0 HZ2 LYS A 72 11.794 4.096 -19.656 1.00 1.36 H new ATOM 0 HZ3 LYS A 72 10.156 4.406 -19.331 1.00 1.36 H new ATOM 1130 N GLY A 73 9.429 6.979 -12.858 1.00 1.14 N ATOM 1131 CA GLY A 73 9.070 7.351 -11.500 1.00 1.37 C ATOM 1132 C GLY A 73 9.015 6.135 -10.605 1.00 1.14 C ATOM 1133 O GLY A 73 8.161 5.271 -10.765 1.00 1.18 O ATOM 0 H GLY A 73 8.605 6.923 -13.456 1.00 1.14 H new ATOM 0 HA2 GLY A 73 9.797 8.063 -11.109 1.00 1.37 H new ATOM 0 HA3 GLY A 73 8.102 7.852 -11.500 1.00 1.37 H new ATOM 1137 N ARG A 74 9.910 6.136 -9.632 1.00 1.21 N ATOM 1138 CA ARG A 74 9.854 5.303 -8.430 1.00 1.16 C ATOM 1139 C ARG A 74 9.231 6.088 -7.272 1.00 1.24 C ATOM 1140 O ARG A 74 9.559 7.258 -7.081 1.00 1.48 O ATOM 1141 CB ARG A 74 11.269 4.804 -8.108 1.00 1.45 C ATOM 1142 CG ARG A 74 11.355 3.915 -6.857 1.00 1.42 C ATOM 1143 CD ARG A 74 12.758 3.309 -6.789 1.00 1.59 C ATOM 1144 NE ARG A 74 12.972 2.542 -5.555 1.00 2.16 N ATOM 1145 CZ ARG A 74 13.550 1.359 -5.432 1.00 2.62 C ATOM 1146 NH1 ARG A 74 13.790 0.572 -6.457 1.00 2.75 N ATOM 1147 NH2 ARG A 74 13.844 0.958 -4.214 1.00 3.93 N ATOM 0 H ARG A 74 10.732 6.740 -9.653 1.00 1.21 H new ATOM 0 HA ARG A 74 9.218 4.434 -8.596 1.00 1.16 H new ATOM 0 HB2 ARG A 74 11.648 4.245 -8.964 1.00 1.45 H new ATOM 0 HB3 ARG A 74 11.924 5.665 -7.974 1.00 1.45 H new ATOM 0 HG2 ARG A 74 11.152 4.501 -5.961 1.00 1.42 H new ATOM 0 HG3 ARG A 74 10.603 3.127 -6.900 1.00 1.42 H new ATOM 0 HD2 ARG A 74 12.913 2.659 -7.650 1.00 1.59 H new ATOM 0 HD3 ARG A 74 13.499 4.105 -6.853 1.00 1.59 H new ATOM 0 HE ARG A 74 12.636 2.972 -4.693 1.00 2.16 H new ATOM 0 HH11 ARG A 74 13.528 0.866 -7.398 1.00 2.75 H new ATOM 0 HH12 ARG A 74 14.239 -0.332 -6.312 1.00 2.75 H new ATOM 0 HH21 ARG A 74 13.625 1.553 -3.415 1.00 3.93 H new ATOM 0 HH22 ARG A 74 14.291 0.053 -4.069 1.00 3.93 H new ATOM 1161 N VAL A 75 8.347 5.451 -6.507 1.00 1.14 N ATOM 1162 CA VAL A 75 7.665 6.013 -5.326 1.00 1.25 C ATOM 1163 C VAL A 75 7.488 4.918 -4.279 1.00 1.15 C ATOM 1164 O VAL A 75 7.285 3.757 -4.624 1.00 1.22 O ATOM 1165 CB VAL A 75 6.292 6.652 -5.651 1.00 1.43 C ATOM 1166 CG1 VAL A 75 6.450 7.935 -6.483 1.00 1.63 C ATOM 1167 CG2 VAL A 75 5.320 5.694 -6.365 1.00 1.42 C ATOM 0 H VAL A 75 8.069 4.488 -6.695 1.00 1.14 H new ATOM 0 HA VAL A 75 8.297 6.816 -4.947 1.00 1.25 H new ATOM 0 HB VAL A 75 5.856 6.896 -4.682 1.00 1.43 H new ATOM 0 HG11 VAL A 75 5.467 8.356 -6.692 1.00 1.63 H new ATOM 0 HG12 VAL A 75 7.044 8.659 -5.926 1.00 1.63 H new ATOM 0 HG13 VAL A 75 6.952 7.700 -7.422 1.00 1.63 H new ATOM 0 HG21 VAL A 75 4.380 6.209 -6.561 1.00 1.42 H new ATOM 0 HG22 VAL A 75 5.758 5.367 -7.308 1.00 1.42 H new ATOM 0 HG23 VAL A 75 5.133 4.827 -5.732 1.00 1.42 H new ATOM 1177 N GLU A 76 7.602 5.265 -2.997 1.00 1.20 N ATOM 1178 CA GLU A 76 7.772 4.282 -1.925 1.00 1.14 C ATOM 1179 C GLU A 76 6.799 4.591 -0.784 1.00 1.11 C ATOM 1180 O GLU A 76 6.840 5.681 -0.199 1.00 1.22 O ATOM 1181 CB GLU A 76 9.256 4.228 -1.486 1.00 1.54 C ATOM 1182 CG GLU A 76 10.187 4.107 -2.711 1.00 2.74 C ATOM 1183 CD GLU A 76 11.603 3.639 -2.391 1.00 3.05 C ATOM 1184 OE1 GLU A 76 12.309 4.353 -1.657 1.00 3.49 O ATOM 1185 OE2 GLU A 76 11.993 2.590 -2.960 1.00 3.93 O ATOM 0 H GLU A 76 7.579 6.232 -2.672 1.00 1.20 H new ATOM 0 HA GLU A 76 7.525 3.281 -2.279 1.00 1.14 H new ATOM 0 HB2 GLU A 76 9.506 5.126 -0.921 1.00 1.54 H new ATOM 0 HB3 GLU A 76 9.412 3.379 -0.820 1.00 1.54 H new ATOM 0 HG2 GLU A 76 9.741 3.412 -3.422 1.00 2.74 H new ATOM 0 HG3 GLU A 76 10.242 5.077 -3.206 1.00 2.74 H new ATOM 1192 N LEU A 77 5.894 3.640 -0.503 1.00 1.08 N ATOM 1193 CA LEU A 77 4.787 3.783 0.448 1.00 1.10 C ATOM 1194 C LEU A 77 5.311 3.672 1.885 1.00 1.23 C ATOM 1195 O LEU A 77 5.173 2.655 2.566 1.00 1.40 O ATOM 1196 CB LEU A 77 3.650 2.780 0.140 1.00 1.06 C ATOM 1197 CG LEU A 77 2.698 3.195 -1.005 1.00 0.96 C ATOM 1198 CD1 LEU A 77 3.324 3.088 -2.404 1.00 0.95 C ATOM 1199 CD2 LEU A 77 1.432 2.326 -0.954 1.00 0.95 C ATOM 0 H LEU A 77 5.916 2.722 -0.947 1.00 1.08 H new ATOM 0 HA LEU A 77 4.348 4.775 0.340 1.00 1.10 H new ATOM 0 HB2 LEU A 77 4.095 1.817 -0.110 1.00 1.06 H new ATOM 0 HB3 LEU A 77 3.061 2.634 1.046 1.00 1.06 H new ATOM 0 HG LEU A 77 2.466 4.248 -0.846 1.00 0.96 H new ATOM 0 HD11 LEU A 77 2.595 3.396 -3.153 1.00 0.95 H new ATOM 0 HD12 LEU A 77 4.199 3.735 -2.462 1.00 0.95 H new ATOM 0 HD13 LEU A 77 3.623 2.057 -2.591 1.00 0.95 H new ATOM 0 HD21 LEU A 77 0.759 2.616 -1.760 1.00 0.95 H new ATOM 0 HD22 LEU A 77 1.706 1.277 -1.070 1.00 0.95 H new ATOM 0 HD23 LEU A 77 0.932 2.467 0.004 1.00 0.95 H new ATOM 1211 N LYS A 78 5.952 4.745 2.347 1.00 1.46 N ATOM 1212 CA LYS A 78 6.447 4.869 3.709 1.00 1.48 C ATOM 1213 C LYS A 78 5.245 5.058 4.655 1.00 1.27 C ATOM 1214 O LYS A 78 4.435 5.943 4.377 1.00 1.36 O ATOM 1215 CB LYS A 78 7.497 6.004 3.766 1.00 1.60 C ATOM 1216 CG LYS A 78 7.021 7.377 3.236 1.00 1.55 C ATOM 1217 CD LYS A 78 8.177 8.358 2.980 1.00 1.83 C ATOM 1218 CE LYS A 78 8.692 9.055 4.251 1.00 3.08 C ATOM 1219 NZ LYS A 78 7.762 10.115 4.719 1.00 4.48 N ATOM 0 H LYS A 78 6.143 5.565 1.771 1.00 1.46 H new ATOM 0 HA LYS A 78 6.963 3.969 4.043 1.00 1.48 H new ATOM 0 HB2 LYS A 78 7.820 6.125 4.800 1.00 1.60 H new ATOM 0 HB3 LYS A 78 8.371 5.696 3.193 1.00 1.60 H new ATOM 0 HG2 LYS A 78 6.466 7.230 2.310 1.00 1.55 H new ATOM 0 HG3 LYS A 78 6.331 7.818 3.955 1.00 1.55 H new ATOM 0 HD2 LYS A 78 9.001 7.820 2.513 1.00 1.83 H new ATOM 0 HD3 LYS A 78 7.848 9.116 2.269 1.00 1.83 H new ATOM 0 HE2 LYS A 78 8.827 8.316 5.041 1.00 3.08 H new ATOM 0 HE3 LYS A 78 9.671 9.492 4.054 1.00 3.08 H new ATOM 0 HZ1 LYS A 78 8.267 10.763 5.357 1.00 4.48 H new ATOM 0 HZ2 LYS A 78 7.401 10.646 3.901 1.00 4.48 H new ATOM 0 HZ3 LYS A 78 6.967 9.679 5.228 1.00 4.48 H new ATOM 1233 N PRO A 79 5.133 4.305 5.772 1.00 1.05 N ATOM 1234 CA PRO A 79 3.954 4.332 6.638 1.00 0.93 C ATOM 1235 C PRO A 79 3.624 5.735 7.157 1.00 0.84 C ATOM 1236 O PRO A 79 2.462 6.116 7.105 1.00 0.90 O ATOM 1237 CB PRO A 79 4.209 3.316 7.758 1.00 0.91 C ATOM 1238 CG PRO A 79 5.717 3.071 7.716 1.00 0.90 C ATOM 1239 CD PRO A 79 6.068 3.295 6.246 1.00 1.01 C ATOM 0 HA PRO A 79 3.062 4.055 6.076 1.00 0.93 H new ATOM 0 HB2 PRO A 79 3.897 3.706 8.727 1.00 0.91 H new ATOM 0 HB3 PRO A 79 3.652 2.394 7.592 1.00 0.91 H new ATOM 0 HG2 PRO A 79 6.255 3.760 8.368 1.00 0.90 H new ATOM 0 HG3 PRO A 79 5.970 2.062 8.041 1.00 0.90 H new ATOM 0 HD2 PRO A 79 7.099 3.632 6.136 1.00 1.01 H new ATOM 0 HD3 PRO A 79 5.971 2.372 5.674 1.00 1.01 H new ATOM 1247 N GLY A 80 4.617 6.551 7.539 1.00 0.92 N ATOM 1248 CA GLY A 80 4.435 8.001 7.727 1.00 1.00 C ATOM 1249 C GLY A 80 4.487 8.742 6.387 1.00 1.07 C ATOM 1250 O GLY A 80 5.475 9.419 6.098 1.00 1.37 O ATOM 0 H GLY A 80 5.566 6.228 7.726 1.00 0.92 H new ATOM 0 HA2 GLY A 80 3.478 8.190 8.214 1.00 1.00 H new ATOM 0 HA3 GLY A 80 5.211 8.385 8.389 1.00 1.00 H new ATOM 1254 N GLY A 81 3.491 8.519 5.530 1.00 0.93 N ATOM 1255 CA GLY A 81 3.472 8.920 4.117 1.00 0.94 C ATOM 1256 C GLY A 81 2.213 8.462 3.395 1.00 0.91 C ATOM 1257 O GLY A 81 1.269 9.225 3.223 1.00 1.01 O ATOM 0 H GLY A 81 2.638 8.034 5.810 1.00 0.93 H new ATOM 0 HA2 GLY A 81 3.550 10.005 4.050 1.00 0.94 H new ATOM 0 HA3 GLY A 81 4.346 8.506 3.614 1.00 0.94 H new ATOM 1261 N TYR A 82 2.231 7.203 2.968 1.00 0.84 N ATOM 1262 CA TYR A 82 1.200 6.495 2.202 1.00 0.79 C ATOM 1263 C TYR A 82 1.301 4.997 2.500 1.00 0.83 C ATOM 1264 O TYR A 82 2.401 4.473 2.686 1.00 0.92 O ATOM 1265 CB TYR A 82 1.389 6.725 0.696 1.00 0.79 C ATOM 1266 CG TYR A 82 1.364 8.181 0.288 1.00 0.77 C ATOM 1267 CD1 TYR A 82 0.139 8.874 0.231 1.00 1.76 C ATOM 1268 CD2 TYR A 82 2.572 8.856 0.026 1.00 1.81 C ATOM 1269 CE1 TYR A 82 0.118 10.253 -0.045 1.00 1.86 C ATOM 1270 CE2 TYR A 82 2.560 10.231 -0.269 1.00 1.75 C ATOM 1271 CZ TYR A 82 1.332 10.933 -0.298 1.00 0.84 C ATOM 1272 OH TYR A 82 1.317 12.264 -0.575 1.00 0.92 O ATOM 0 H TYR A 82 3.030 6.599 3.162 1.00 0.84 H new ATOM 0 HA TYR A 82 0.220 6.875 2.492 1.00 0.79 H new ATOM 0 HB2 TYR A 82 2.339 6.289 0.389 1.00 0.79 H new ATOM 0 HB3 TYR A 82 0.605 6.194 0.157 1.00 0.79 H new ATOM 0 HD1 TYR A 82 -0.787 8.345 0.400 1.00 1.76 H new ATOM 0 HD2 TYR A 82 3.508 8.318 0.052 1.00 1.81 H new ATOM 0 HE1 TYR A 82 -0.819 10.789 -0.064 1.00 1.86 H new ATOM 0 HE2 TYR A 82 3.485 10.749 -0.473 1.00 1.75 H new ATOM 0 HH TYR A 82 2.234 12.578 -0.723 1.00 0.92 H new ATOM 1282 N HIS A 83 0.176 4.289 2.540 1.00 0.80 N ATOM 1283 CA HIS A 83 0.132 2.865 2.866 1.00 0.83 C ATOM 1284 C HIS A 83 -1.201 2.251 2.420 1.00 0.79 C ATOM 1285 O HIS A 83 -2.131 2.973 2.052 1.00 0.77 O ATOM 1286 CB HIS A 83 0.379 2.645 4.374 1.00 0.83 C ATOM 1287 CG HIS A 83 -0.741 3.127 5.260 1.00 0.62 C ATOM 1288 ND1 HIS A 83 -0.895 4.391 5.787 1.00 0.76 N ATOM 1289 CD2 HIS A 83 -1.815 2.388 5.682 1.00 0.57 C ATOM 1290 CE1 HIS A 83 -2.039 4.412 6.483 1.00 0.78 C ATOM 1291 NE2 HIS A 83 -2.632 3.210 6.459 1.00 0.67 N ATOM 0 H HIS A 83 -0.741 4.691 2.345 1.00 0.80 H new ATOM 0 HA HIS A 83 0.929 2.358 2.322 1.00 0.83 H new ATOM 0 HB2 HIS A 83 0.537 1.582 4.554 1.00 0.83 H new ATOM 0 HB3 HIS A 83 1.298 3.157 4.659 1.00 0.83 H new ATOM 0 HD2 HIS A 83 -1.998 1.349 5.453 1.00 0.57 H new ATOM 0 HE1 HIS A 83 -2.430 5.279 6.994 1.00 0.78 H new ATOM 0 HE2 HIS A 83 -3.505 2.949 6.917 1.00 0.67 H new ATOM 1299 N PHE A 84 -1.294 0.924 2.500 1.00 0.85 N ATOM 1300 CA PHE A 84 -2.515 0.175 2.244 1.00 0.81 C ATOM 1301 C PHE A 84 -3.084 -0.418 3.539 1.00 0.74 C ATOM 1302 O PHE A 84 -2.395 -1.179 4.227 1.00 0.84 O ATOM 1303 CB PHE A 84 -2.182 -0.937 1.252 1.00 0.99 C ATOM 1304 CG PHE A 84 -2.000 -0.497 -0.187 1.00 1.00 C ATOM 1305 CD1 PHE A 84 -3.096 -0.004 -0.918 1.00 1.69 C ATOM 1306 CD2 PHE A 84 -0.749 -0.637 -0.818 1.00 2.17 C ATOM 1307 CE1 PHE A 84 -2.969 0.244 -2.294 1.00 1.69 C ATOM 1308 CE2 PHE A 84 -0.613 -0.340 -2.186 1.00 2.15 C ATOM 1309 CZ PHE A 84 -1.731 0.068 -2.931 1.00 0.97 C ATOM 0 H PHE A 84 -0.503 0.331 2.750 1.00 0.85 H new ATOM 0 HA PHE A 84 -3.275 0.840 1.834 1.00 0.81 H new ATOM 0 HB2 PHE A 84 -1.268 -1.431 1.581 1.00 0.99 H new ATOM 0 HB3 PHE A 84 -2.977 -1.682 1.288 1.00 0.99 H new ATOM 0 HD1 PHE A 84 -4.036 0.184 -0.420 1.00 1.69 H new ATOM 0 HD2 PHE A 84 0.107 -0.973 -0.251 1.00 2.17 H new ATOM 0 HE1 PHE A 84 -3.826 0.571 -2.864 1.00 1.69 H new ATOM 0 HE2 PHE A 84 0.352 -0.426 -2.664 1.00 2.15 H new ATOM 0 HZ PHE A 84 -1.638 0.246 -3.992 1.00 0.97 H new ATOM 1319 N MET A 85 -4.358 -0.131 3.826 1.00 0.60 N ATOM 1320 CA MET A 85 -5.130 -0.763 4.911 1.00 0.59 C ATOM 1321 C MET A 85 -5.842 -2.019 4.406 1.00 0.57 C ATOM 1322 O MET A 85 -6.625 -1.931 3.459 1.00 0.61 O ATOM 1323 CB MET A 85 -6.147 0.235 5.491 1.00 0.64 C ATOM 1324 CG MET A 85 -5.563 1.028 6.665 1.00 0.84 C ATOM 1325 SD MET A 85 -5.371 0.071 8.197 1.00 0.97 S ATOM 1326 CE MET A 85 -3.569 -0.091 8.243 1.00 0.78 C ATOM 0 H MET A 85 -4.896 0.560 3.303 1.00 0.60 H new ATOM 0 HA MET A 85 -4.439 -1.057 5.701 1.00 0.59 H new ATOM 0 HB2 MET A 85 -6.465 0.925 4.709 1.00 0.64 H new ATOM 0 HB3 MET A 85 -7.035 -0.303 5.822 1.00 0.64 H new ATOM 0 HG2 MET A 85 -4.590 1.422 6.373 1.00 0.84 H new ATOM 0 HG3 MET A 85 -6.207 1.885 6.865 1.00 0.84 H new ATOM 0 HE1 MET A 85 -3.302 -1.075 8.628 1.00 0.78 H new ATOM 0 HE2 MET A 85 -3.167 0.026 7.237 1.00 0.78 H new ATOM 0 HE3 MET A 85 -3.151 0.678 8.892 1.00 0.78 H new ATOM 1336 N LEU A 86 -5.565 -3.175 5.023 1.00 0.60 N ATOM 1337 CA LEU A 86 -6.113 -4.493 4.664 1.00 0.65 C ATOM 1338 C LEU A 86 -7.322 -4.837 5.545 1.00 0.61 C ATOM 1339 O LEU A 86 -7.262 -4.628 6.754 1.00 0.66 O ATOM 1340 CB LEU A 86 -5.036 -5.583 4.870 1.00 0.68 C ATOM 1341 CG LEU A 86 -3.668 -5.354 4.200 1.00 1.04 C ATOM 1342 CD1 LEU A 86 -2.733 -6.520 4.540 1.00 2.12 C ATOM 1343 CD2 LEU A 86 -3.791 -5.219 2.680 1.00 1.17 C ATOM 0 H LEU A 86 -4.928 -3.221 5.818 1.00 0.60 H new ATOM 0 HA LEU A 86 -6.422 -4.456 3.619 1.00 0.65 H new ATOM 0 HB2 LEU A 86 -4.873 -5.699 5.941 1.00 0.68 H new ATOM 0 HB3 LEU A 86 -5.437 -6.528 4.505 1.00 0.68 H new ATOM 0 HG LEU A 86 -3.260 -4.419 4.583 1.00 1.04 H new ATOM 0 HD11 LEU A 86 -1.764 -6.360 4.067 1.00 2.12 H new ATOM 0 HD12 LEU A 86 -2.603 -6.579 5.621 1.00 2.12 H new ATOM 0 HD13 LEU A 86 -3.165 -7.452 4.175 1.00 2.12 H new ATOM 0 HD21 LEU A 86 -2.803 -5.059 2.248 1.00 1.17 H new ATOM 0 HD22 LEU A 86 -4.224 -6.130 2.268 1.00 1.17 H new ATOM 0 HD23 LEU A 86 -4.434 -4.372 2.441 1.00 1.17 H new ATOM 1355 N LEU A 87 -8.382 -5.420 4.968 1.00 0.97 N ATOM 1356 CA LEU A 87 -9.621 -5.745 5.692 1.00 1.10 C ATOM 1357 C LEU A 87 -10.272 -7.053 5.219 1.00 1.21 C ATOM 1358 O LEU A 87 -10.330 -7.353 4.024 1.00 1.48 O ATOM 1359 CB LEU A 87 -10.592 -4.545 5.589 1.00 1.09 C ATOM 1360 CG LEU A 87 -10.701 -3.751 6.903 1.00 1.25 C ATOM 1361 CD1 LEU A 87 -11.333 -2.377 6.659 1.00 1.46 C ATOM 1362 CD2 LEU A 87 -11.569 -4.513 7.916 1.00 2.90 C ATOM 0 H LEU A 87 -8.405 -5.681 3.982 1.00 0.97 H new ATOM 0 HA LEU A 87 -9.368 -5.920 6.738 1.00 1.10 H new ATOM 0 HB2 LEU A 87 -10.256 -3.879 4.794 1.00 1.09 H new ATOM 0 HB3 LEU A 87 -11.580 -4.907 5.305 1.00 1.09 H new ATOM 0 HG LEU A 87 -9.693 -3.623 7.296 1.00 1.25 H new ATOM 0 HD11 LEU A 87 -11.400 -1.834 7.602 1.00 1.46 H new ATOM 0 HD12 LEU A 87 -10.718 -1.813 5.958 1.00 1.46 H new ATOM 0 HD13 LEU A 87 -12.332 -2.505 6.243 1.00 1.46 H new ATOM 0 HD21 LEU A 87 -11.637 -3.940 8.841 1.00 2.90 H new ATOM 0 HD22 LEU A 87 -12.568 -4.657 7.504 1.00 2.90 H new ATOM 0 HD23 LEU A 87 -11.119 -5.484 8.123 1.00 2.90 H new ATOM 1374 N GLY A 88 -10.790 -7.826 6.183 1.00 1.13 N ATOM 1375 CA GLY A 88 -11.384 -9.150 5.953 1.00 1.22 C ATOM 1376 C GLY A 88 -10.305 -10.214 5.760 1.00 1.13 C ATOM 1377 O GLY A 88 -10.243 -10.819 4.698 1.00 1.68 O ATOM 0 H GLY A 88 -10.808 -7.543 7.163 1.00 1.13 H new ATOM 0 HA2 GLY A 88 -12.017 -9.419 6.799 1.00 1.22 H new ATOM 0 HA3 GLY A 88 -12.026 -9.115 5.073 1.00 1.22 H new ATOM 1381 N LEU A 89 -9.413 -10.386 6.745 1.00 0.78 N ATOM 1382 CA LEU A 89 -8.232 -11.245 6.614 1.00 0.72 C ATOM 1383 C LEU A 89 -8.573 -12.742 6.568 1.00 0.79 C ATOM 1384 O LEU A 89 -9.376 -13.241 7.351 1.00 0.85 O ATOM 1385 CB LEU A 89 -7.219 -10.960 7.735 1.00 0.72 C ATOM 1386 CG LEU A 89 -6.757 -9.498 7.876 1.00 0.61 C ATOM 1387 CD1 LEU A 89 -5.620 -9.459 8.905 1.00 0.78 C ATOM 1388 CD2 LEU A 89 -6.291 -8.865 6.555 1.00 0.82 C ATOM 0 H LEU A 89 -9.492 -9.932 7.655 1.00 0.78 H new ATOM 0 HA LEU A 89 -7.782 -10.997 5.652 1.00 0.72 H new ATOM 0 HB2 LEU A 89 -7.658 -11.274 8.682 1.00 0.72 H new ATOM 0 HB3 LEU A 89 -6.340 -11.583 7.569 1.00 0.72 H new ATOM 0 HG LEU A 89 -7.615 -8.908 8.199 1.00 0.61 H new ATOM 0 HD11 LEU A 89 -5.273 -8.433 9.025 1.00 0.78 H new ATOM 0 HD12 LEU A 89 -5.983 -9.834 9.862 1.00 0.78 H new ATOM 0 HD13 LEU A 89 -4.796 -10.083 8.560 1.00 0.78 H new ATOM 0 HD21 LEU A 89 -5.981 -7.835 6.734 1.00 0.82 H new ATOM 0 HD22 LEU A 89 -5.450 -9.433 6.156 1.00 0.82 H new ATOM 0 HD23 LEU A 89 -7.111 -8.877 5.837 1.00 0.82 H new ATOM 1400 N LYS A 90 -7.898 -13.461 5.671 1.00 1.17 N ATOM 1401 CA LYS A 90 -8.168 -14.872 5.352 1.00 1.31 C ATOM 1402 C LYS A 90 -7.147 -15.839 5.999 1.00 1.39 C ATOM 1403 O LYS A 90 -7.320 -17.057 5.955 1.00 1.53 O ATOM 1404 CB LYS A 90 -8.321 -14.986 3.817 1.00 1.41 C ATOM 1405 CG LYS A 90 -9.538 -14.153 3.350 1.00 1.14 C ATOM 1406 CD LYS A 90 -9.744 -14.060 1.835 1.00 1.38 C ATOM 1407 CE LYS A 90 -11.054 -13.298 1.577 1.00 1.45 C ATOM 1408 NZ LYS A 90 -11.206 -12.862 0.170 1.00 1.62 N ATOM 0 H LYS A 90 -7.127 -13.072 5.129 1.00 1.17 H new ATOM 0 HA LYS A 90 -9.105 -15.200 5.802 1.00 1.31 H new ATOM 0 HB2 LYS A 90 -7.415 -14.632 3.324 1.00 1.41 H new ATOM 0 HB3 LYS A 90 -8.452 -16.030 3.532 1.00 1.41 H new ATOM 0 HG2 LYS A 90 -10.438 -14.580 3.794 1.00 1.14 H new ATOM 0 HG3 LYS A 90 -9.436 -13.143 3.746 1.00 1.14 H new ATOM 0 HD2 LYS A 90 -8.905 -13.544 1.368 1.00 1.38 H new ATOM 0 HD3 LYS A 90 -9.790 -15.056 1.395 1.00 1.38 H new ATOM 0 HE2 LYS A 90 -11.897 -13.935 1.847 1.00 1.45 H new ATOM 0 HE3 LYS A 90 -11.093 -12.425 2.228 1.00 1.45 H new ATOM 0 HZ1 LYS A 90 -12.211 -12.684 -0.032 1.00 1.62 H new ATOM 0 HZ2 LYS A 90 -10.662 -11.989 0.016 1.00 1.62 H new ATOM 0 HZ3 LYS A 90 -10.852 -13.606 -0.464 1.00 1.62 H new ATOM 1422 N ARG A 91 -6.133 -15.296 6.687 1.00 1.42 N ATOM 1423 CA ARG A 91 -5.420 -15.946 7.796 1.00 1.54 C ATOM 1424 C ARG A 91 -5.157 -14.901 8.904 1.00 1.41 C ATOM 1425 O ARG A 91 -5.065 -13.715 8.579 1.00 1.37 O ATOM 1426 CB ARG A 91 -4.066 -16.563 7.362 1.00 2.11 C ATOM 1427 CG ARG A 91 -3.814 -16.812 5.864 1.00 2.07 C ATOM 1428 CD ARG A 91 -2.509 -17.605 5.668 1.00 2.70 C ATOM 1429 NE ARG A 91 -2.745 -19.041 5.917 1.00 3.27 N ATOM 1430 CZ ARG A 91 -1.839 -19.983 6.161 1.00 4.34 C ATOM 1431 NH1 ARG A 91 -0.550 -19.746 6.219 1.00 5.14 N ATOM 1432 NH2 ARG A 91 -2.234 -21.222 6.352 1.00 5.21 N ATOM 0 H ARG A 91 -5.775 -14.363 6.481 1.00 1.42 H new ATOM 0 HA ARG A 91 -6.051 -16.759 8.155 1.00 1.54 H new ATOM 0 HB2 ARG A 91 -3.273 -15.910 7.727 1.00 2.11 H new ATOM 0 HB3 ARG A 91 -3.956 -17.516 7.879 1.00 2.11 H new ATOM 0 HG2 ARG A 91 -4.651 -17.363 5.434 1.00 2.07 H new ATOM 0 HG3 ARG A 91 -3.753 -15.861 5.335 1.00 2.07 H new ATOM 0 HD2 ARG A 91 -2.135 -17.460 4.654 1.00 2.70 H new ATOM 0 HD3 ARG A 91 -1.742 -17.232 6.347 1.00 2.70 H new ATOM 0 HE ARG A 91 -3.718 -19.346 5.900 1.00 3.27 H new ATOM 0 HH11 ARG A 91 -0.198 -18.800 6.073 1.00 5.14 H new ATOM 0 HH12 ARG A 91 0.101 -20.508 6.410 1.00 5.14 H new ATOM 0 HH21 ARG A 91 -3.227 -21.453 6.312 1.00 5.21 H new ATOM 0 HH22 ARG A 91 -1.548 -21.953 6.540 1.00 5.21 H new ATOM 1446 N PRO A 92 -4.922 -15.303 10.166 1.00 1.52 N ATOM 1447 CA PRO A 92 -3.889 -14.645 10.942 1.00 1.47 C ATOM 1448 C PRO A 92 -2.559 -15.000 10.273 1.00 1.45 C ATOM 1449 O PRO A 92 -2.258 -16.174 10.057 1.00 1.79 O ATOM 1450 CB PRO A 92 -3.996 -15.207 12.350 1.00 1.67 C ATOM 1451 CG PRO A 92 -4.535 -16.627 12.126 1.00 1.85 C ATOM 1452 CD PRO A 92 -5.323 -16.548 10.809 1.00 1.72 C ATOM 0 HA PRO A 92 -3.978 -13.560 10.989 1.00 1.47 H new ATOM 0 HB2 PRO A 92 -3.029 -15.219 12.853 1.00 1.67 H new ATOM 0 HB3 PRO A 92 -4.670 -14.614 12.969 1.00 1.67 H new ATOM 0 HG2 PRO A 92 -3.723 -17.351 12.058 1.00 1.85 H new ATOM 0 HG3 PRO A 92 -5.175 -16.941 12.951 1.00 1.85 H new ATOM 0 HD2 PRO A 92 -5.101 -17.404 10.171 1.00 1.72 H new ATOM 0 HD3 PRO A 92 -6.397 -16.560 10.997 1.00 1.72 H new ATOM 1460 N LEU A 93 -1.815 -13.975 9.868 1.00 1.25 N ATOM 1461 CA LEU A 93 -0.668 -14.131 8.975 1.00 1.32 C ATOM 1462 C LEU A 93 0.509 -14.720 9.753 1.00 1.39 C ATOM 1463 O LEU A 93 0.992 -14.156 10.735 1.00 1.60 O ATOM 1464 CB LEU A 93 -0.331 -12.800 8.274 1.00 1.36 C ATOM 1465 CG LEU A 93 -1.007 -12.601 6.904 1.00 1.68 C ATOM 1466 CD1 LEU A 93 -2.538 -12.683 6.963 1.00 2.08 C ATOM 1467 CD2 LEU A 93 -0.612 -11.225 6.358 1.00 2.14 C ATOM 0 H LEU A 93 -1.990 -13.010 10.150 1.00 1.25 H new ATOM 0 HA LEU A 93 -0.913 -14.833 8.177 1.00 1.32 H new ATOM 0 HB2 LEU A 93 -0.620 -11.978 8.929 1.00 1.36 H new ATOM 0 HB3 LEU A 93 0.749 -12.738 8.143 1.00 1.36 H new ATOM 0 HG LEU A 93 -0.666 -13.410 6.258 1.00 1.68 H new ATOM 0 HD11 LEU A 93 -2.949 -12.534 5.965 1.00 2.08 H new ATOM 0 HD12 LEU A 93 -2.836 -13.663 7.336 1.00 2.08 H new ATOM 0 HD13 LEU A 93 -2.918 -11.910 7.631 1.00 2.08 H new ATOM 0 HD21 LEU A 93 -1.083 -11.070 5.388 1.00 2.14 H new ATOM 0 HD22 LEU A 93 -0.942 -10.450 7.050 1.00 2.14 H new ATOM 0 HD23 LEU A 93 0.471 -11.175 6.247 1.00 2.14 H new ATOM 1479 N LYS A 94 0.985 -15.873 9.301 1.00 1.49 N ATOM 1480 CA LYS A 94 2.094 -16.596 9.898 1.00 1.65 C ATOM 1481 C LYS A 94 3.377 -15.767 9.690 1.00 1.53 C ATOM 1482 O LYS A 94 3.912 -15.726 8.588 1.00 1.84 O ATOM 1483 CB LYS A 94 2.098 -18.009 9.261 1.00 1.87 C ATOM 1484 CG LYS A 94 3.111 -19.050 9.777 1.00 2.31 C ATOM 1485 CD LYS A 94 4.552 -18.629 9.492 1.00 3.04 C ATOM 1486 CE LYS A 94 5.614 -19.706 9.696 1.00 4.30 C ATOM 1487 NZ LYS A 94 6.951 -19.113 9.452 1.00 5.53 N ATOM 0 H LYS A 94 0.596 -16.343 8.484 1.00 1.49 H new ATOM 0 HA LYS A 94 2.014 -16.736 10.976 1.00 1.65 H new ATOM 0 HB2 LYS A 94 1.100 -18.430 9.384 1.00 1.87 H new ATOM 0 HB3 LYS A 94 2.264 -17.889 8.190 1.00 1.87 H new ATOM 0 HG2 LYS A 94 2.978 -19.186 10.850 1.00 2.31 H new ATOM 0 HG3 LYS A 94 2.914 -20.013 9.307 1.00 2.31 H new ATOM 0 HD2 LYS A 94 4.611 -18.279 8.461 1.00 3.04 H new ATOM 0 HD3 LYS A 94 4.795 -17.780 10.131 1.00 3.04 H new ATOM 0 HE2 LYS A 94 5.557 -20.104 10.709 1.00 4.30 H new ATOM 0 HE3 LYS A 94 5.441 -20.540 9.015 1.00 4.30 H new ATOM 0 HZ1 LYS A 94 7.688 -19.797 9.718 1.00 5.53 H new ATOM 0 HZ2 LYS A 94 7.047 -18.876 8.444 1.00 5.53 H new ATOM 0 HZ3 LYS A 94 7.057 -18.250 10.022 1.00 5.53 H new ATOM 1501 N ALA A 95 3.936 -15.177 10.753 1.00 1.53 N ATOM 1502 CA ALA A 95 5.241 -14.497 10.712 1.00 1.62 C ATOM 1503 C ALA A 95 6.337 -15.333 10.007 1.00 1.59 C ATOM 1504 O ALA A 95 6.725 -16.420 10.455 1.00 1.75 O ATOM 1505 CB ALA A 95 5.633 -14.100 12.140 1.00 1.91 C ATOM 0 H ALA A 95 3.495 -15.156 11.673 1.00 1.53 H new ATOM 0 HA ALA A 95 5.148 -13.598 10.102 1.00 1.62 H new ATOM 0 HB1 ALA A 95 6.599 -13.595 12.125 1.00 1.91 H new ATOM 0 HB2 ALA A 95 4.879 -13.429 12.551 1.00 1.91 H new ATOM 0 HB3 ALA A 95 5.701 -14.994 12.760 1.00 1.91 H new ATOM 1511 N GLY A 96 6.801 -14.836 8.854 1.00 1.60 N ATOM 1512 CA GLY A 96 7.617 -15.601 7.905 1.00 1.71 C ATOM 1513 C GLY A 96 6.794 -16.563 7.035 1.00 1.81 C ATOM 1514 O GLY A 96 7.131 -17.745 6.958 1.00 2.41 O ATOM 0 H GLY A 96 6.618 -13.880 8.551 1.00 1.60 H new ATOM 0 HA2 GLY A 96 8.156 -14.908 7.259 1.00 1.71 H new ATOM 0 HA3 GLY A 96 8.365 -16.170 8.456 1.00 1.71 H new ATOM 1518 N GLU A 97 5.715 -16.074 6.426 1.00 1.47 N ATOM 1519 CA GLU A 97 5.198 -16.487 5.122 1.00 1.50 C ATOM 1520 C GLU A 97 5.282 -15.286 4.154 1.00 1.37 C ATOM 1521 O GLU A 97 5.905 -14.277 4.498 1.00 1.42 O ATOM 1522 CB GLU A 97 3.774 -17.067 5.259 1.00 1.70 C ATOM 1523 CG GLU A 97 2.629 -16.063 5.508 1.00 1.67 C ATOM 1524 CD GLU A 97 1.284 -16.742 5.787 1.00 1.70 C ATOM 1525 OE1 GLU A 97 1.041 -17.842 5.251 1.00 2.14 O ATOM 1526 OE2 GLU A 97 0.480 -16.208 6.584 1.00 2.70 O ATOM 0 H GLU A 97 5.148 -15.340 6.851 1.00 1.47 H new ATOM 0 HA GLU A 97 5.803 -17.292 4.706 1.00 1.50 H new ATOM 0 HB2 GLU A 97 3.546 -17.622 4.349 1.00 1.70 H new ATOM 0 HB3 GLU A 97 3.778 -17.786 6.079 1.00 1.70 H new ATOM 0 HG2 GLU A 97 2.890 -15.426 6.353 1.00 1.67 H new ATOM 0 HG3 GLU A 97 2.528 -15.413 4.639 1.00 1.67 H new ATOM 1533 N GLU A 98 4.666 -15.363 2.971 1.00 1.38 N ATOM 1534 CA GLU A 98 4.611 -14.277 1.984 1.00 1.42 C ATOM 1535 C GLU A 98 3.189 -14.116 1.427 1.00 1.17 C ATOM 1536 O GLU A 98 2.362 -15.017 1.539 1.00 1.39 O ATOM 1537 CB GLU A 98 5.598 -14.508 0.822 1.00 1.84 C ATOM 1538 CG GLU A 98 7.075 -14.612 1.235 1.00 2.80 C ATOM 1539 CD GLU A 98 8.017 -14.005 0.189 1.00 3.70 C ATOM 1540 OE1 GLU A 98 7.952 -12.765 -0.004 1.00 4.89 O ATOM 1541 OE2 GLU A 98 8.795 -14.793 -0.394 1.00 4.15 O ATOM 0 H GLU A 98 4.178 -16.204 2.664 1.00 1.38 H new ATOM 0 HA GLU A 98 4.901 -13.363 2.502 1.00 1.42 H new ATOM 0 HB2 GLU A 98 5.316 -15.424 0.303 1.00 1.84 H new ATOM 0 HB3 GLU A 98 5.493 -13.691 0.108 1.00 1.84 H new ATOM 0 HG2 GLU A 98 7.220 -14.104 2.189 1.00 2.80 H new ATOM 0 HG3 GLU A 98 7.334 -15.660 1.389 1.00 2.80 H new ATOM 1548 N VAL A 99 2.912 -12.962 0.820 1.00 0.91 N ATOM 1549 CA VAL A 99 1.589 -12.529 0.350 1.00 0.83 C ATOM 1550 C VAL A 99 1.696 -11.989 -1.075 1.00 0.84 C ATOM 1551 O VAL A 99 2.555 -11.156 -1.354 1.00 0.98 O ATOM 1552 CB VAL A 99 1.049 -11.420 1.289 1.00 0.90 C ATOM 1553 CG1 VAL A 99 -0.200 -10.717 0.724 1.00 0.90 C ATOM 1554 CG2 VAL A 99 0.733 -11.983 2.683 1.00 0.97 C ATOM 0 H VAL A 99 3.636 -12.268 0.632 1.00 0.91 H new ATOM 0 HA VAL A 99 0.906 -13.379 0.358 1.00 0.83 H new ATOM 0 HB VAL A 99 1.843 -10.677 1.366 1.00 0.90 H new ATOM 0 HG11 VAL A 99 -0.534 -9.951 1.423 1.00 0.90 H new ATOM 0 HG12 VAL A 99 0.044 -10.254 -0.232 1.00 0.90 H new ATOM 0 HG13 VAL A 99 -0.995 -11.448 0.580 1.00 0.90 H new ATOM 0 HG21 VAL A 99 0.356 -11.184 3.321 1.00 0.97 H new ATOM 0 HG22 VAL A 99 -0.021 -12.765 2.597 1.00 0.97 H new ATOM 0 HG23 VAL A 99 1.640 -12.400 3.121 1.00 0.97 H new ATOM 1564 N GLU A 100 0.787 -12.406 -1.962 1.00 0.81 N ATOM 1565 CA GLU A 100 0.575 -11.725 -3.245 1.00 0.98 C ATOM 1566 C GLU A 100 -0.294 -10.473 -3.080 1.00 1.03 C ATOM 1567 O GLU A 100 -1.225 -10.445 -2.272 1.00 1.12 O ATOM 1568 CB GLU A 100 -0.119 -12.628 -4.272 1.00 1.14 C ATOM 1569 CG GLU A 100 0.774 -13.720 -4.859 1.00 1.34 C ATOM 1570 CD GLU A 100 0.353 -13.988 -6.300 1.00 1.89 C ATOM 1571 OE1 GLU A 100 -0.829 -14.294 -6.569 1.00 2.27 O ATOM 1572 OE2 GLU A 100 1.172 -13.788 -7.219 1.00 3.15 O ATOM 0 H GLU A 100 0.184 -13.215 -1.815 1.00 0.81 H new ATOM 0 HA GLU A 100 1.570 -11.457 -3.600 1.00 0.98 H new ATOM 0 HB2 GLU A 100 -0.983 -13.097 -3.800 1.00 1.14 H new ATOM 0 HB3 GLU A 100 -0.497 -12.009 -5.085 1.00 1.14 H new ATOM 0 HG2 GLU A 100 1.819 -13.411 -4.824 1.00 1.34 H new ATOM 0 HG3 GLU A 100 0.691 -14.632 -4.267 1.00 1.34 H new ATOM 1579 N LEU A 101 -0.045 -9.462 -3.916 1.00 1.06 N ATOM 1580 CA LEU A 101 -0.810 -8.223 -3.984 1.00 1.02 C ATOM 1581 C LEU A 101 -0.731 -7.651 -5.412 1.00 1.06 C ATOM 1582 O LEU A 101 0.356 -7.378 -5.926 1.00 1.21 O ATOM 1583 CB LEU A 101 -0.253 -7.320 -2.873 1.00 1.07 C ATOM 1584 CG LEU A 101 -0.855 -5.976 -2.480 1.00 1.46 C ATOM 1585 CD1 LEU A 101 -0.986 -5.039 -3.677 1.00 2.69 C ATOM 1586 CD2 LEU A 101 -2.175 -6.112 -1.711 1.00 1.83 C ATOM 0 H LEU A 101 0.723 -9.489 -4.586 1.00 1.06 H new ATOM 0 HA LEU A 101 -1.878 -8.347 -3.805 1.00 1.02 H new ATOM 0 HB2 LEU A 101 -0.243 -7.925 -1.966 1.00 1.07 H new ATOM 0 HB3 LEU A 101 0.786 -7.122 -3.135 1.00 1.07 H new ATOM 0 HG LEU A 101 -0.148 -5.519 -1.787 1.00 1.46 H new ATOM 0 HD11 LEU A 101 -1.419 -4.093 -3.353 1.00 2.69 H new ATOM 0 HD12 LEU A 101 -0.001 -4.859 -4.107 1.00 2.69 H new ATOM 0 HD13 LEU A 101 -1.632 -5.495 -4.427 1.00 2.69 H new ATOM 0 HD21 LEU A 101 -2.553 -5.121 -1.460 1.00 1.83 H new ATOM 0 HD22 LEU A 101 -2.905 -6.633 -2.331 1.00 1.83 H new ATOM 0 HD23 LEU A 101 -2.006 -6.679 -0.795 1.00 1.83 H new ATOM 1598 N ASP A 102 -1.902 -7.503 -6.035 1.00 0.94 N ATOM 1599 CA ASP A 102 -2.207 -6.818 -7.301 1.00 1.01 C ATOM 1600 C ASP A 102 -2.270 -5.295 -7.073 1.00 1.09 C ATOM 1601 O ASP A 102 -3.187 -4.831 -6.395 1.00 1.27 O ATOM 1602 CB ASP A 102 -3.608 -7.281 -7.782 1.00 1.12 C ATOM 1603 CG ASP A 102 -3.676 -8.564 -8.619 1.00 1.22 C ATOM 1604 OD1 ASP A 102 -3.129 -8.585 -9.739 1.00 2.09 O ATOM 1605 OD2 ASP A 102 -4.393 -9.505 -8.195 1.00 1.95 O ATOM 0 H ASP A 102 -2.749 -7.899 -5.627 1.00 0.94 H new ATOM 0 HA ASP A 102 -1.435 -7.053 -8.033 1.00 1.01 H new ATOM 0 HB2 ASP A 102 -4.238 -7.418 -6.903 1.00 1.12 H new ATOM 0 HB3 ASP A 102 -4.048 -6.473 -8.367 1.00 1.12 H new ATOM 1610 N LEU A 103 -1.356 -4.496 -7.646 1.00 1.00 N ATOM 1611 CA LEU A 103 -1.481 -3.029 -7.640 1.00 0.93 C ATOM 1612 C LEU A 103 -2.437 -2.594 -8.755 1.00 0.84 C ATOM 1613 O LEU A 103 -2.196 -2.908 -9.923 1.00 0.84 O ATOM 1614 CB LEU A 103 -0.099 -2.372 -7.822 1.00 1.01 C ATOM 1615 CG LEU A 103 0.866 -2.561 -6.636 1.00 1.30 C ATOM 1616 CD1 LEU A 103 2.278 -2.161 -7.087 1.00 1.45 C ATOM 1617 CD2 LEU A 103 0.427 -1.707 -5.435 1.00 1.81 C ATOM 0 H LEU A 103 -0.521 -4.841 -8.120 1.00 1.00 H new ATOM 0 HA LEU A 103 -1.885 -2.706 -6.680 1.00 0.93 H new ATOM 0 HB2 LEU A 103 0.366 -2.779 -8.720 1.00 1.01 H new ATOM 0 HB3 LEU A 103 -0.239 -1.304 -7.992 1.00 1.01 H new ATOM 0 HG LEU A 103 0.857 -3.605 -6.322 1.00 1.30 H new ATOM 0 HD11 LEU A 103 2.975 -2.289 -6.258 1.00 1.45 H new ATOM 0 HD12 LEU A 103 2.586 -2.792 -7.921 1.00 1.45 H new ATOM 0 HD13 LEU A 103 2.277 -1.118 -7.403 1.00 1.45 H new ATOM 0 HD21 LEU A 103 1.122 -1.856 -4.609 1.00 1.81 H new ATOM 0 HD22 LEU A 103 0.421 -0.655 -5.719 1.00 1.81 H new ATOM 0 HD23 LEU A 103 -0.575 -2.004 -5.124 1.00 1.81 H new ATOM 1629 N LEU A 104 -3.512 -1.876 -8.404 1.00 0.79 N ATOM 1630 CA LEU A 104 -4.604 -1.531 -9.320 1.00 0.73 C ATOM 1631 C LEU A 104 -4.427 -0.119 -9.888 1.00 0.68 C ATOM 1632 O LEU A 104 -4.306 0.847 -9.127 1.00 0.67 O ATOM 1633 CB LEU A 104 -5.961 -1.626 -8.595 1.00 0.74 C ATOM 1634 CG LEU A 104 -6.249 -2.917 -7.819 1.00 0.81 C ATOM 1635 CD1 LEU A 104 -7.692 -2.894 -7.292 1.00 0.83 C ATOM 1636 CD2 LEU A 104 -6.025 -4.189 -8.648 1.00 0.93 C ATOM 0 H LEU A 104 -3.648 -1.513 -7.460 1.00 0.79 H new ATOM 0 HA LEU A 104 -4.581 -2.243 -10.145 1.00 0.73 H new ATOM 0 HB2 LEU A 104 -6.032 -0.790 -7.899 1.00 0.74 H new ATOM 0 HB3 LEU A 104 -6.750 -1.493 -9.335 1.00 0.74 H new ATOM 0 HG LEU A 104 -5.538 -2.950 -6.993 1.00 0.81 H new ATOM 0 HD11 LEU A 104 -7.893 -3.813 -6.741 1.00 0.83 H new ATOM 0 HD12 LEU A 104 -7.824 -2.038 -6.630 1.00 0.83 H new ATOM 0 HD13 LEU A 104 -8.384 -2.815 -8.130 1.00 0.83 H new ATOM 0 HD21 LEU A 104 -6.247 -5.065 -8.038 1.00 0.93 H new ATOM 0 HD22 LEU A 104 -6.682 -4.177 -9.518 1.00 0.93 H new ATOM 0 HD23 LEU A 104 -4.987 -4.230 -8.978 1.00 0.93 H new ATOM 1648 N PHE A 105 -4.479 0.026 -11.214 1.00 0.70 N ATOM 1649 CA PHE A 105 -4.261 1.309 -11.887 1.00 0.75 C ATOM 1650 C PHE A 105 -5.407 1.684 -12.843 1.00 0.78 C ATOM 1651 O PHE A 105 -6.057 0.832 -13.456 1.00 1.07 O ATOM 1652 CB PHE A 105 -2.945 1.249 -12.668 1.00 0.84 C ATOM 1653 CG PHE A 105 -1.692 0.928 -11.878 1.00 0.77 C ATOM 1654 CD1 PHE A 105 -0.917 1.959 -11.317 1.00 2.33 C ATOM 1655 CD2 PHE A 105 -1.259 -0.406 -11.766 1.00 1.67 C ATOM 1656 CE1 PHE A 105 0.286 1.659 -10.657 1.00 2.31 C ATOM 1657 CE2 PHE A 105 -0.066 -0.709 -11.093 1.00 1.68 C ATOM 1658 CZ PHE A 105 0.712 0.324 -10.542 1.00 0.74 C ATOM 0 H PHE A 105 -4.674 -0.745 -11.853 1.00 0.70 H new ATOM 0 HA PHE A 105 -4.222 2.079 -11.116 1.00 0.75 H new ATOM 0 HB2 PHE A 105 -3.051 0.501 -13.454 1.00 0.84 H new ATOM 0 HB3 PHE A 105 -2.799 2.211 -13.160 1.00 0.84 H new ATOM 0 HD1 PHE A 105 -1.248 2.984 -11.394 1.00 2.33 H new ATOM 0 HD2 PHE A 105 -1.848 -1.200 -12.200 1.00 1.67 H new ATOM 0 HE1 PHE A 105 0.884 2.454 -10.238 1.00 2.31 H new ATOM 0 HE2 PHE A 105 0.255 -1.736 -10.998 1.00 1.68 H new ATOM 0 HZ PHE A 105 1.635 0.093 -10.031 1.00 0.74 H new ATOM 1668 N ALA A 106 -5.608 2.993 -13.022 1.00 0.63 N ATOM 1669 CA ALA A 106 -6.539 3.535 -14.013 1.00 0.62 C ATOM 1670 C ALA A 106 -6.017 3.357 -15.454 1.00 1.40 C ATOM 1671 O ALA A 106 -4.816 3.200 -15.686 1.00 2.33 O ATOM 1672 CB ALA A 106 -6.812 5.008 -13.685 1.00 1.66 C ATOM 0 H ALA A 106 -5.126 3.710 -12.480 1.00 0.63 H new ATOM 0 HA ALA A 106 -7.474 2.977 -13.962 1.00 0.62 H new ATOM 0 HB1 ALA A 106 -7.505 5.422 -14.418 1.00 1.66 H new ATOM 0 HB2 ALA A 106 -7.249 5.084 -12.689 1.00 1.66 H new ATOM 0 HB3 ALA A 106 -5.877 5.567 -13.715 1.00 1.66 H new ATOM 1678 N GLY A 107 -6.923 3.400 -16.441 1.00 2.48 N ATOM 1679 CA GLY A 107 -6.563 3.328 -17.865 1.00 3.71 C ATOM 1680 C GLY A 107 -6.189 1.921 -18.340 1.00 3.37 C ATOM 1681 O GLY A 107 -5.463 1.787 -19.324 1.00 4.77 O ATOM 0 H GLY A 107 -7.926 3.486 -16.275 1.00 2.48 H new ATOM 0 HA2 GLY A 107 -7.401 3.691 -18.460 1.00 3.71 H new ATOM 0 HA3 GLY A 107 -5.725 3.999 -18.052 1.00 3.71 H new ATOM 1685 N GLY A 108 -6.637 0.875 -17.635 1.00 1.82 N ATOM 1686 CA GLY A 108 -6.479 -0.525 -18.047 1.00 1.57 C ATOM 1687 C GLY A 108 -5.079 -1.063 -17.771 1.00 1.58 C ATOM 1688 O GLY A 108 -4.344 -1.381 -18.706 1.00 2.29 O ATOM 0 H GLY A 108 -7.128 0.980 -16.747 1.00 1.82 H new ATOM 0 HA2 GLY A 108 -7.210 -1.139 -17.522 1.00 1.57 H new ATOM 0 HA3 GLY A 108 -6.695 -0.613 -19.112 1.00 1.57 H new ATOM 1692 N LYS A 109 -4.699 -1.131 -16.492 1.00 0.98 N ATOM 1693 CA LYS A 109 -3.433 -1.644 -16.000 1.00 1.06 C ATOM 1694 C LYS A 109 -3.607 -2.300 -14.616 1.00 0.97 C ATOM 1695 O LYS A 109 -4.312 -1.764 -13.766 1.00 0.87 O ATOM 1696 CB LYS A 109 -2.482 -0.447 -15.875 1.00 1.13 C ATOM 1697 CG LYS A 109 -1.753 -0.055 -17.165 1.00 1.60 C ATOM 1698 CD LYS A 109 -2.257 1.295 -17.705 1.00 3.10 C ATOM 1699 CE LYS A 109 -1.942 1.458 -19.195 1.00 3.42 C ATOM 1700 NZ LYS A 109 -2.947 0.755 -20.035 1.00 3.94 N ATOM 0 H LYS A 109 -5.305 -0.810 -15.737 1.00 0.98 H new ATOM 0 HA LYS A 109 -3.044 -2.399 -16.683 1.00 1.06 H new ATOM 0 HB2 LYS A 109 -3.051 0.413 -15.522 1.00 1.13 H new ATOM 0 HB3 LYS A 109 -1.738 -0.672 -15.111 1.00 1.13 H new ATOM 0 HG2 LYS A 109 -0.681 0.004 -16.976 1.00 1.60 H new ATOM 0 HG3 LYS A 109 -1.901 -0.829 -17.918 1.00 1.60 H new ATOM 0 HD2 LYS A 109 -3.333 1.371 -17.549 1.00 3.10 H new ATOM 0 HD3 LYS A 109 -1.796 2.107 -17.144 1.00 3.10 H new ATOM 0 HE2 LYS A 109 -1.925 2.517 -19.452 1.00 3.42 H new ATOM 0 HE3 LYS A 109 -0.948 1.063 -19.405 1.00 3.42 H new ATOM 0 HZ1 LYS A 109 -2.606 0.706 -21.016 1.00 3.94 H new ATOM 0 HZ2 LYS A 109 -3.091 -0.208 -19.670 1.00 3.94 H new ATOM 0 HZ3 LYS A 109 -3.848 1.275 -20.007 1.00 3.94 H new ATOM 1714 N VAL A 110 -2.891 -3.390 -14.369 1.00 1.15 N ATOM 1715 CA VAL A 110 -2.713 -4.036 -13.067 1.00 1.10 C ATOM 1716 C VAL A 110 -1.369 -4.768 -13.086 1.00 1.22 C ATOM 1717 O VAL A 110 -0.998 -5.314 -14.125 1.00 1.39 O ATOM 1718 CB VAL A 110 -3.905 -4.958 -12.731 1.00 1.08 C ATOM 1719 CG1 VAL A 110 -4.182 -6.016 -13.813 1.00 1.24 C ATOM 1720 CG2 VAL A 110 -3.764 -5.649 -11.365 1.00 1.09 C ATOM 0 H VAL A 110 -2.389 -3.877 -15.111 1.00 1.15 H new ATOM 0 HA VAL A 110 -2.695 -3.295 -12.268 1.00 1.10 H new ATOM 0 HB VAL A 110 -4.760 -4.283 -12.691 1.00 1.08 H new ATOM 0 HG11 VAL A 110 -5.032 -6.629 -13.513 1.00 1.24 H new ATOM 0 HG12 VAL A 110 -4.408 -5.520 -14.757 1.00 1.24 H new ATOM 0 HG13 VAL A 110 -3.303 -6.649 -13.936 1.00 1.24 H new ATOM 0 HG21 VAL A 110 -4.633 -6.283 -11.187 1.00 1.09 H new ATOM 0 HG22 VAL A 110 -2.861 -6.260 -11.358 1.00 1.09 H new ATOM 0 HG23 VAL A 110 -3.698 -4.895 -10.581 1.00 1.09 H new ATOM 1730 N LEU A 111 -0.617 -4.699 -11.983 1.00 1.16 N ATOM 1731 CA LEU A 111 0.737 -5.253 -11.863 1.00 1.29 C ATOM 1732 C LEU A 111 0.918 -5.812 -10.450 1.00 1.46 C ATOM 1733 O LEU A 111 0.986 -5.054 -9.483 1.00 1.67 O ATOM 1734 CB LEU A 111 1.796 -4.160 -12.139 1.00 1.33 C ATOM 1735 CG LEU A 111 1.779 -3.511 -13.540 1.00 1.35 C ATOM 1736 CD1 LEU A 111 2.715 -2.294 -13.558 1.00 1.96 C ATOM 1737 CD2 LEU A 111 2.216 -4.498 -14.633 1.00 1.70 C ATOM 0 H LEU A 111 -0.940 -4.246 -11.128 1.00 1.16 H new ATOM 0 HA LEU A 111 0.869 -6.048 -12.597 1.00 1.29 H new ATOM 0 HB2 LEU A 111 1.671 -3.371 -11.398 1.00 1.33 H new ATOM 0 HB3 LEU A 111 2.783 -4.595 -11.978 1.00 1.33 H new ATOM 0 HG LEU A 111 0.754 -3.205 -13.748 1.00 1.35 H new ATOM 0 HD11 LEU A 111 2.701 -1.838 -14.548 1.00 1.96 H new ATOM 0 HD12 LEU A 111 2.380 -1.566 -12.819 1.00 1.96 H new ATOM 0 HD13 LEU A 111 3.730 -2.612 -13.320 1.00 1.96 H new ATOM 0 HD21 LEU A 111 2.190 -4.002 -15.603 1.00 1.70 H new ATOM 0 HD22 LEU A 111 3.230 -4.842 -14.428 1.00 1.70 H new ATOM 0 HD23 LEU A 111 1.539 -5.352 -14.644 1.00 1.70 H new ATOM 1749 N LYS A 112 0.958 -7.139 -10.312 1.00 1.47 N ATOM 1750 CA LYS A 112 1.074 -7.785 -9.006 1.00 1.62 C ATOM 1751 C LYS A 112 2.515 -8.083 -8.589 1.00 1.43 C ATOM 1752 O LYS A 112 3.373 -8.353 -9.428 1.00 1.56 O ATOM 1753 CB LYS A 112 0.173 -9.024 -8.927 1.00 1.90 C ATOM 1754 CG LYS A 112 0.642 -10.293 -9.649 1.00 1.69 C ATOM 1755 CD LYS A 112 -0.310 -11.437 -9.275 1.00 1.57 C ATOM 1756 CE LYS A 112 0.124 -12.751 -9.929 1.00 1.77 C ATOM 1757 NZ LYS A 112 -0.554 -13.903 -9.293 1.00 2.11 N ATOM 0 H LYS A 112 0.911 -7.790 -11.096 1.00 1.47 H new ATOM 0 HA LYS A 112 0.719 -7.062 -8.272 1.00 1.62 H new ATOM 0 HB2 LYS A 112 0.032 -9.270 -7.874 1.00 1.90 H new ATOM 0 HB3 LYS A 112 -0.805 -8.754 -9.325 1.00 1.90 H new ATOM 0 HG2 LYS A 112 0.644 -10.138 -10.728 1.00 1.69 H new ATOM 0 HG3 LYS A 112 1.664 -10.539 -9.360 1.00 1.69 H new ATOM 0 HD2 LYS A 112 -0.332 -11.556 -8.192 1.00 1.57 H new ATOM 0 HD3 LYS A 112 -1.324 -11.188 -9.589 1.00 1.57 H new ATOM 0 HE2 LYS A 112 -0.110 -12.728 -10.993 1.00 1.77 H new ATOM 0 HE3 LYS A 112 1.204 -12.866 -9.843 1.00 1.77 H new ATOM 0 HZ1 LYS A 112 -0.917 -14.542 -10.029 1.00 2.11 H new ATOM 0 HZ2 LYS A 112 0.123 -14.416 -8.693 1.00 2.11 H new ATOM 0 HZ3 LYS A 112 -1.345 -13.562 -8.710 1.00 2.11 H new ATOM 1771 N VAL A 113 2.754 -8.079 -7.279 1.00 1.26 N ATOM 1772 CA VAL A 113 4.043 -8.412 -6.662 1.00 1.18 C ATOM 1773 C VAL A 113 3.833 -9.314 -5.443 1.00 1.16 C ATOM 1774 O VAL A 113 2.741 -9.344 -4.873 1.00 1.36 O ATOM 1775 CB VAL A 113 4.838 -7.137 -6.287 1.00 1.33 C ATOM 1776 CG1 VAL A 113 5.144 -6.295 -7.541 1.00 1.39 C ATOM 1777 CG2 VAL A 113 4.103 -6.268 -5.253 1.00 1.67 C ATOM 0 H VAL A 113 2.037 -7.837 -6.595 1.00 1.26 H new ATOM 0 HA VAL A 113 4.638 -8.958 -7.394 1.00 1.18 H new ATOM 0 HB VAL A 113 5.771 -7.476 -5.836 1.00 1.33 H new ATOM 0 HG11 VAL A 113 5.703 -5.404 -7.254 1.00 1.39 H new ATOM 0 HG12 VAL A 113 5.736 -6.885 -8.240 1.00 1.39 H new ATOM 0 HG13 VAL A 113 4.209 -5.999 -8.017 1.00 1.39 H new ATOM 0 HG21 VAL A 113 4.703 -5.387 -5.025 1.00 1.67 H new ATOM 0 HG22 VAL A 113 3.140 -5.956 -5.658 1.00 1.67 H new ATOM 0 HG23 VAL A 113 3.943 -6.844 -4.341 1.00 1.67 H new ATOM 1787 N VAL A 114 4.889 -10.026 -5.047 1.00 1.08 N ATOM 1788 CA VAL A 114 4.983 -10.755 -3.781 1.00 1.10 C ATOM 1789 C VAL A 114 5.619 -9.861 -2.712 1.00 1.10 C ATOM 1790 O VAL A 114 6.434 -8.996 -3.030 1.00 1.29 O ATOM 1791 CB VAL A 114 5.730 -12.096 -3.892 1.00 1.41 C ATOM 1792 CG1 VAL A 114 4.798 -13.204 -4.411 1.00 2.10 C ATOM 1793 CG2 VAL A 114 6.942 -11.962 -4.805 1.00 2.45 C ATOM 0 H VAL A 114 5.730 -10.114 -5.617 1.00 1.08 H new ATOM 0 HA VAL A 114 3.964 -11.011 -3.490 1.00 1.10 H new ATOM 0 HB VAL A 114 6.071 -12.372 -2.894 1.00 1.41 H new ATOM 0 HG11 VAL A 114 5.350 -14.141 -4.480 1.00 2.10 H new ATOM 0 HG12 VAL A 114 3.960 -13.326 -3.724 1.00 2.10 H new ATOM 0 HG13 VAL A 114 4.422 -12.931 -5.397 1.00 2.10 H new ATOM 0 HG21 VAL A 114 7.456 -12.921 -4.870 1.00 2.45 H new ATOM 0 HG22 VAL A 114 6.616 -11.657 -5.799 1.00 2.45 H new ATOM 0 HG23 VAL A 114 7.622 -11.213 -4.400 1.00 2.45 H new ATOM 1803 N LEU A 115 5.216 -10.061 -1.457 1.00 1.02 N ATOM 1804 CA LEU A 115 5.654 -9.318 -0.277 1.00 1.08 C ATOM 1805 C LEU A 115 5.746 -10.287 0.924 1.00 1.07 C ATOM 1806 O LEU A 115 4.745 -10.958 1.206 1.00 1.18 O ATOM 1807 CB LEU A 115 4.604 -8.230 0.042 1.00 1.15 C ATOM 1808 CG LEU A 115 4.346 -7.168 -1.047 1.00 1.22 C ATOM 1809 CD1 LEU A 115 3.145 -6.307 -0.628 1.00 1.66 C ATOM 1810 CD2 LEU A 115 5.569 -6.271 -1.274 1.00 1.54 C ATOM 0 H LEU A 115 4.538 -10.786 -1.225 1.00 1.02 H new ATOM 0 HA LEU A 115 6.626 -8.862 -0.463 1.00 1.08 H new ATOM 0 HB2 LEU A 115 3.659 -8.725 0.263 1.00 1.15 H new ATOM 0 HB3 LEU A 115 4.915 -7.715 0.951 1.00 1.15 H new ATOM 0 HG LEU A 115 4.140 -7.684 -1.985 1.00 1.22 H new ATOM 0 HD11 LEU A 115 2.954 -5.553 -1.391 1.00 1.66 H new ATOM 0 HD12 LEU A 115 2.265 -6.940 -0.515 1.00 1.66 H new ATOM 0 HD13 LEU A 115 3.362 -5.816 0.321 1.00 1.66 H new ATOM 0 HD21 LEU A 115 5.344 -5.538 -2.048 1.00 1.54 H new ATOM 0 HD22 LEU A 115 5.819 -5.755 -0.347 1.00 1.54 H new ATOM 0 HD23 LEU A 115 6.415 -6.882 -1.588 1.00 1.54 H new ATOM 1822 N PRO A 116 6.860 -10.333 1.677 1.00 1.01 N ATOM 1823 CA PRO A 116 6.981 -11.160 2.871 1.00 1.01 C ATOM 1824 C PRO A 116 6.118 -10.650 4.029 1.00 1.02 C ATOM 1825 O PRO A 116 5.782 -9.466 4.102 1.00 1.05 O ATOM 1826 CB PRO A 116 8.473 -11.171 3.222 1.00 1.04 C ATOM 1827 CG PRO A 116 8.973 -9.847 2.651 1.00 1.02 C ATOM 1828 CD PRO A 116 8.137 -9.705 1.382 1.00 0.98 C ATOM 0 HA PRO A 116 6.612 -12.168 2.684 1.00 1.01 H new ATOM 0 HB2 PRO A 116 8.633 -11.232 4.298 1.00 1.04 H new ATOM 0 HB3 PRO A 116 8.986 -12.022 2.775 1.00 1.04 H new ATOM 0 HG2 PRO A 116 8.810 -9.019 3.341 1.00 1.02 H new ATOM 0 HG3 PRO A 116 10.041 -9.875 2.434 1.00 1.02 H new ATOM 0 HD2 PRO A 116 8.005 -8.656 1.116 1.00 0.98 H new ATOM 0 HD3 PRO A 116 8.625 -10.189 0.536 1.00 0.98 H new ATOM 1836 N VAL A 117 5.788 -11.555 4.957 1.00 1.05 N ATOM 1837 CA VAL A 117 5.094 -11.261 6.206 1.00 1.04 C ATOM 1838 C VAL A 117 6.100 -10.918 7.311 1.00 1.08 C ATOM 1839 O VAL A 117 6.838 -11.776 7.804 1.00 1.38 O ATOM 1840 CB VAL A 117 4.176 -12.433 6.611 1.00 1.08 C ATOM 1841 CG1 VAL A 117 3.544 -12.202 7.984 1.00 1.16 C ATOM 1842 CG2 VAL A 117 3.049 -12.578 5.574 1.00 1.09 C ATOM 0 H VAL A 117 6.007 -12.546 4.851 1.00 1.05 H new ATOM 0 HA VAL A 117 4.459 -10.388 6.056 1.00 1.04 H new ATOM 0 HB VAL A 117 4.785 -13.336 6.654 1.00 1.08 H new ATOM 0 HG11 VAL A 117 2.904 -13.047 8.237 1.00 1.16 H new ATOM 0 HG12 VAL A 117 4.329 -12.104 8.734 1.00 1.16 H new ATOM 0 HG13 VAL A 117 2.948 -11.290 7.961 1.00 1.16 H new ATOM 0 HG21 VAL A 117 2.398 -13.405 5.857 1.00 1.09 H new ATOM 0 HG22 VAL A 117 2.468 -11.656 5.536 1.00 1.09 H new ATOM 0 HG23 VAL A 117 3.481 -12.775 4.593 1.00 1.09 H new ATOM 1852 N GLU A 118 6.036 -9.655 7.727 1.00 0.90 N ATOM 1853 CA GLU A 118 6.604 -9.077 8.946 1.00 1.10 C ATOM 1854 C GLU A 118 5.448 -8.776 9.936 1.00 1.23 C ATOM 1855 O GLU A 118 4.274 -8.973 9.615 1.00 1.50 O ATOM 1856 CB GLU A 118 7.346 -7.780 8.556 1.00 1.59 C ATOM 1857 CG GLU A 118 8.514 -7.402 9.480 1.00 2.50 C ATOM 1858 CD GLU A 118 8.891 -5.925 9.332 1.00 3.22 C ATOM 1859 OE1 GLU A 118 7.998 -5.075 9.571 1.00 4.49 O ATOM 1860 OE2 GLU A 118 10.077 -5.605 9.099 1.00 3.46 O ATOM 0 H GLU A 118 5.546 -8.951 7.176 1.00 0.90 H new ATOM 0 HA GLU A 118 7.304 -9.762 9.425 1.00 1.10 H new ATOM 0 HB2 GLU A 118 7.725 -7.887 7.540 1.00 1.59 H new ATOM 0 HB3 GLU A 118 6.630 -6.958 8.544 1.00 1.59 H new ATOM 0 HG2 GLU A 118 8.241 -7.607 10.515 1.00 2.50 H new ATOM 0 HG3 GLU A 118 9.379 -8.024 9.249 1.00 2.50 H new ATOM 1867 N ALA A 119 5.750 -8.253 11.128 1.00 1.54 N ATOM 1868 CA ALA A 119 4.760 -7.754 12.086 1.00 1.85 C ATOM 1869 C ALA A 119 5.270 -6.453 12.731 1.00 1.85 C ATOM 1870 O ALA A 119 6.374 -6.421 13.276 1.00 1.93 O ATOM 1871 CB ALA A 119 4.476 -8.847 13.123 1.00 2.49 C ATOM 0 H ALA A 119 6.710 -8.163 11.461 1.00 1.54 H new ATOM 0 HA ALA A 119 3.823 -7.517 11.582 1.00 1.85 H new ATOM 0 HB1 ALA A 119 3.740 -8.485 13.841 1.00 2.49 H new ATOM 0 HB2 ALA A 119 4.088 -9.733 12.621 1.00 2.49 H new ATOM 0 HB3 ALA A 119 5.398 -9.101 13.646 1.00 2.49 H new ATOM 1877 N ARG A 120 4.478 -5.377 12.610 1.00 2.37 N ATOM 1878 CA ARG A 120 4.935 -3.989 12.796 1.00 2.40 C ATOM 1879 C ARG A 120 3.801 -3.019 13.151 1.00 2.82 C ATOM 1880 O ARG A 120 3.115 -3.239 14.167 1.00 3.50 O ATOM 1881 CB ARG A 120 5.677 -3.602 11.493 1.00 2.40 C ATOM 1882 CG ARG A 120 6.755 -2.534 11.668 1.00 3.04 C ATOM 1883 CD ARG A 120 7.981 -3.127 12.378 1.00 3.37 C ATOM 1884 NE ARG A 120 9.200 -2.326 12.157 1.00 3.40 N ATOM 1885 CZ ARG A 120 9.954 -2.372 11.073 1.00 3.70 C ATOM 1886 NH1 ARG A 120 9.622 -3.011 10.001 1.00 4.04 N ATOM 1887 NH2 ARG A 120 11.098 -1.752 11.032 1.00 4.69 N ATOM 1888 OXT ARG A 120 3.488 -2.130 12.335 1.00 3.21 O ATOM 0 H ARG A 120 3.487 -5.446 12.377 1.00 2.37 H new ATOM 0 HA ARG A 120 5.601 -3.919 13.656 1.00 2.40 H new ATOM 0 HB2 ARG A 120 6.136 -4.497 11.072 1.00 2.40 H new ATOM 0 HB3 ARG A 120 4.946 -3.246 10.766 1.00 2.40 H new ATOM 0 HG2 ARG A 120 7.046 -2.138 10.695 1.00 3.04 H new ATOM 0 HG3 ARG A 120 6.359 -1.699 12.247 1.00 3.04 H new ATOM 0 HD2 ARG A 120 7.782 -3.193 13.448 1.00 3.37 H new ATOM 0 HD3 ARG A 120 8.148 -4.144 12.022 1.00 3.37 H new ATOM 0 HE ARG A 120 9.483 -1.686 12.899 1.00 3.40 H new ATOM 0 HH11 ARG A 120 8.736 -3.515 9.962 1.00 4.04 H new ATOM 0 HH12 ARG A 120 10.245 -3.011 9.194 1.00 4.04 H new ATOM 0 HH21 ARG A 120 11.421 -1.223 11.842 1.00 4.69 H new ATOM 0 HH22 ARG A 120 11.671 -1.795 10.190 1.00 4.69 H new