USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=16 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 158:sc= 1.12 USER MOD Set 1.2: A 83 HIS : no HD1:sc= 0 X(o=0.11,f=-0.09) USER MOD Set 1.3: A 85 MET CE :methyl -137:sc= -1.01 (180deg=-1.41) USER MOD Single : A 11 SER OG : rot 177:sc= 1.38 USER MOD Single : A 15 ASN : amide:sc= 0.023 K(o=0.023,f=-1) USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 THR OG1 : rot 77:sc= 1.02 USER MOD Single : A 24 ASN : amide:sc= 0.643 K(o=0.64,f=-5.8!) USER MOD Single : A 37 THR OG1 : rot 158:sc= -0.503 USER MOD Single : A 46 HIS : no HD1:sc= -0.892 K(o=-0.89,f=-3.8!) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 155:sc= 0.193! (180deg=-1.14) USER MOD Single : A 57 LYS NZ :NH3+ -167:sc= -0.774 (180deg=-1.42) USER MOD Single : A 59 MET CE :methyl -117:sc=-0.00786 (180deg=-0.307) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -178:sc= 0.467 (180deg=0.398) USER MOD Single : A 78 LYS NZ :NH3+ -137:sc= 0.411 (180deg=-0.506!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 176:sc= 0.56 (180deg=0.44) USER MOD Single : A 94 LYS NZ :NH3+ 173:sc= 1.08 (180deg=1.05) USER MOD Single : A 109 LYS NZ :NH3+ -176:sc= 0.827 (180deg=0.813) USER MOD Single : A 112 LYS NZ :NH3+ 175:sc= 1.03 (180deg=1.01) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 11.007 -3.838 -2.499 1.00 1.80 N ATOM 56 CA GLU A 5 11.220 -3.579 -1.075 1.00 1.05 C ATOM 57 C GLU A 5 9.903 -3.176 -0.399 1.00 0.98 C ATOM 58 O GLU A 5 9.560 -1.992 -0.310 1.00 1.37 O ATOM 59 CB GLU A 5 12.322 -2.522 -0.856 1.00 2.51 C ATOM 60 CG GLU A 5 13.659 -2.836 -1.541 1.00 3.42 C ATOM 61 CD GLU A 5 13.772 -2.170 -2.913 1.00 4.70 C ATOM 62 OE1 GLU A 5 13.009 -2.513 -3.845 1.00 5.13 O ATOM 63 OE2 GLU A 5 14.658 -1.315 -3.104 1.00 5.99 O ATOM 0 HA GLU A 5 11.566 -4.501 -0.608 1.00 1.05 H new ATOM 0 HB2 GLU A 5 11.961 -1.560 -1.219 1.00 2.51 H new ATOM 0 HB3 GLU A 5 12.495 -2.414 0.215 1.00 2.51 H new ATOM 0 HG2 GLU A 5 14.479 -2.500 -0.906 1.00 3.42 H new ATOM 0 HG3 GLU A 5 13.764 -3.915 -1.652 1.00 3.42 H new ATOM 70 N GLY A 6 9.147 -4.173 0.060 1.00 0.98 N ATOM 71 CA GLY A 6 7.892 -4.020 0.800 1.00 0.96 C ATOM 72 C GLY A 6 7.631 -5.139 1.801 1.00 0.96 C ATOM 73 O GLY A 6 8.313 -6.159 1.788 1.00 1.11 O ATOM 0 H GLY A 6 9.402 -5.151 -0.079 1.00 0.98 H new ATOM 0 HA2 GLY A 6 7.906 -3.067 1.329 1.00 0.96 H new ATOM 0 HA3 GLY A 6 7.065 -3.978 0.091 1.00 0.96 H new ATOM 77 N TRP A 7 6.595 -4.961 2.626 1.00 0.89 N ATOM 78 CA TRP A 7 6.152 -5.915 3.646 1.00 0.91 C ATOM 79 C TRP A 7 4.661 -5.741 3.995 1.00 0.83 C ATOM 80 O TRP A 7 4.087 -4.660 3.854 1.00 0.79 O ATOM 81 CB TRP A 7 7.021 -5.791 4.914 1.00 1.07 C ATOM 82 CG TRP A 7 6.896 -4.525 5.715 1.00 1.13 C ATOM 83 CD1 TRP A 7 6.254 -4.430 6.900 1.00 1.21 C ATOM 84 CD2 TRP A 7 7.432 -3.185 5.452 1.00 1.20 C ATOM 85 NE1 TRP A 7 6.349 -3.143 7.390 1.00 1.32 N ATOM 86 CE2 TRP A 7 7.041 -2.326 6.524 1.00 1.33 C ATOM 87 CE3 TRP A 7 8.209 -2.600 4.425 1.00 1.24 C ATOM 88 CZ2 TRP A 7 7.353 -0.960 6.549 1.00 1.51 C ATOM 89 CZ3 TRP A 7 8.525 -1.227 4.437 1.00 1.42 C ATOM 90 CH2 TRP A 7 8.091 -0.404 5.491 1.00 1.56 C ATOM 0 H TRP A 7 6.021 -4.118 2.601 1.00 0.89 H new ATOM 0 HA TRP A 7 6.272 -6.915 3.229 1.00 0.91 H new ATOM 0 HB2 TRP A 7 6.783 -6.629 5.569 1.00 1.07 H new ATOM 0 HB3 TRP A 7 8.065 -5.902 4.620 1.00 1.07 H new ATOM 0 HD1 TRP A 7 5.741 -5.243 7.392 1.00 1.21 H new ATOM 0 HE1 TRP A 7 5.957 -2.836 8.280 1.00 1.32 H new ATOM 0 HE3 TRP A 7 8.567 -3.218 3.615 1.00 1.24 H new ATOM 0 HZ2 TRP A 7 7.029 -0.341 7.373 1.00 1.51 H new ATOM 0 HZ3 TRP A 7 9.105 -0.804 3.630 1.00 1.42 H new ATOM 0 HH2 TRP A 7 8.324 0.651 5.487 1.00 1.56 H new ATOM 101 N VAL A 8 4.017 -6.815 4.460 1.00 0.89 N ATOM 102 CA VAL A 8 2.648 -6.786 4.996 1.00 0.88 C ATOM 103 C VAL A 8 2.745 -6.908 6.514 1.00 0.96 C ATOM 104 O VAL A 8 3.554 -7.678 7.021 1.00 1.08 O ATOM 105 CB VAL A 8 1.758 -7.871 4.355 1.00 0.91 C ATOM 106 CG1 VAL A 8 0.345 -7.890 4.966 1.00 0.96 C ATOM 107 CG2 VAL A 8 1.666 -7.621 2.838 1.00 0.90 C ATOM 0 H VAL A 8 4.436 -7.745 4.476 1.00 0.89 H new ATOM 0 HA VAL A 8 2.159 -5.845 4.744 1.00 0.88 H new ATOM 0 HB VAL A 8 2.214 -8.842 4.551 1.00 0.91 H new ATOM 0 HG11 VAL A 8 -0.248 -8.668 4.486 1.00 0.96 H new ATOM 0 HG12 VAL A 8 0.413 -8.093 6.035 1.00 0.96 H new ATOM 0 HG13 VAL A 8 -0.132 -6.922 4.810 1.00 0.96 H new ATOM 0 HG21 VAL A 8 1.038 -8.386 2.381 1.00 0.90 H new ATOM 0 HG22 VAL A 8 1.231 -6.638 2.657 1.00 0.90 H new ATOM 0 HG23 VAL A 8 2.664 -7.662 2.401 1.00 0.90 H new ATOM 117 N ARG A 9 1.962 -6.099 7.234 1.00 0.96 N ATOM 118 CA ARG A 9 2.278 -5.662 8.603 1.00 1.18 C ATOM 119 C ARG A 9 1.838 -6.601 9.743 1.00 1.59 C ATOM 120 O ARG A 9 1.990 -6.252 10.916 1.00 3.08 O ATOM 121 CB ARG A 9 1.652 -4.268 8.792 1.00 1.22 C ATOM 122 CG ARG A 9 2.315 -3.503 9.942 1.00 1.82 C ATOM 123 CD ARG A 9 1.476 -3.323 11.205 1.00 2.01 C ATOM 124 NE ARG A 9 0.737 -2.056 11.139 1.00 2.90 N ATOM 125 CZ ARG A 9 -0.521 -1.850 11.505 1.00 3.76 C ATOM 126 NH1 ARG A 9 -1.286 -2.831 11.940 1.00 3.87 N ATOM 127 NH2 ARG A 9 -1.022 -0.634 11.423 1.00 5.25 N ATOM 0 H ARG A 9 1.081 -5.724 6.882 1.00 0.96 H new ATOM 0 HA ARG A 9 3.365 -5.661 8.684 1.00 1.18 H new ATOM 0 HB2 ARG A 9 1.751 -3.696 7.869 1.00 1.22 H new ATOM 0 HB3 ARG A 9 0.585 -4.371 8.990 1.00 1.22 H new ATOM 0 HG2 ARG A 9 3.235 -4.021 10.213 1.00 1.82 H new ATOM 0 HG3 ARG A 9 2.601 -2.516 9.577 1.00 1.82 H new ATOM 0 HD2 ARG A 9 0.780 -4.155 11.311 1.00 2.01 H new ATOM 0 HD3 ARG A 9 2.120 -3.333 12.084 1.00 2.01 H new ATOM 0 HE ARG A 9 1.244 -1.250 10.773 1.00 2.90 H new ATOM 0 HH11 ARG A 9 -0.914 -3.779 12.002 1.00 3.87 H new ATOM 0 HH12 ARG A 9 -2.250 -2.643 12.215 1.00 3.87 H new ATOM 0 HH21 ARG A 9 -0.444 0.134 11.082 1.00 5.25 H new ATOM 0 HH22 ARG A 9 -1.988 -0.461 11.701 1.00 5.25 H new ATOM 141 N PHE A 10 1.203 -7.729 9.418 1.00 1.43 N ATOM 142 CA PHE A 10 0.507 -8.629 10.355 1.00 1.59 C ATOM 143 C PHE A 10 -0.661 -7.924 11.101 1.00 1.95 C ATOM 144 O PHE A 10 -0.811 -6.699 11.067 1.00 2.92 O ATOM 145 CB PHE A 10 1.551 -9.297 11.290 1.00 1.91 C ATOM 146 CG PHE A 10 0.986 -10.057 12.469 1.00 2.10 C ATOM 147 CD1 PHE A 10 0.414 -11.324 12.275 1.00 2.75 C ATOM 148 CD2 PHE A 10 0.945 -9.455 13.743 1.00 3.12 C ATOM 149 CE1 PHE A 10 -0.234 -11.976 13.338 1.00 3.08 C ATOM 150 CE2 PHE A 10 0.299 -10.107 14.808 1.00 3.25 C ATOM 151 CZ PHE A 10 -0.310 -11.357 14.598 1.00 2.67 C ATOM 0 H PHE A 10 1.155 -8.059 8.454 1.00 1.43 H new ATOM 0 HA PHE A 10 0.014 -9.424 9.795 1.00 1.59 H new ATOM 0 HB2 PHE A 10 2.157 -9.982 10.697 1.00 1.91 H new ATOM 0 HB3 PHE A 10 2.221 -8.524 11.667 1.00 1.91 H new ATOM 0 HD1 PHE A 10 0.472 -11.799 11.307 1.00 2.75 H new ATOM 0 HD2 PHE A 10 1.410 -8.493 13.901 1.00 3.12 H new ATOM 0 HE1 PHE A 10 -0.673 -12.951 13.187 1.00 3.08 H new ATOM 0 HE2 PHE A 10 0.271 -9.649 15.786 1.00 3.25 H new ATOM 0 HZ PHE A 10 -0.837 -11.842 15.406 1.00 2.67 H new ATOM 161 N SER A 11 -1.507 -8.692 11.798 1.00 1.49 N ATOM 162 CA SER A 11 -2.413 -8.173 12.833 1.00 1.75 C ATOM 163 C SER A 11 -3.008 -9.292 13.705 1.00 1.56 C ATOM 164 O SER A 11 -3.285 -10.370 13.176 1.00 1.67 O ATOM 165 CB SER A 11 -3.570 -7.396 12.202 1.00 2.33 C ATOM 166 OG SER A 11 -4.248 -6.615 13.166 1.00 3.44 O ATOM 0 H SER A 11 -1.584 -9.700 11.659 1.00 1.49 H new ATOM 0 HA SER A 11 -1.810 -7.518 13.462 1.00 1.75 H new ATOM 0 HB2 SER A 11 -3.189 -6.751 11.410 1.00 2.33 H new ATOM 0 HB3 SER A 11 -4.268 -8.092 11.738 1.00 2.33 H new ATOM 0 HG SER A 11 -4.954 -6.095 12.728 1.00 3.44 H new ATOM 172 N PRO A 12 -3.246 -9.056 15.012 1.00 2.00 N ATOM 173 CA PRO A 12 -4.099 -9.905 15.842 1.00 2.35 C ATOM 174 C PRO A 12 -5.598 -9.573 15.681 1.00 2.04 C ATOM 175 O PRO A 12 -6.435 -10.264 16.256 1.00 2.40 O ATOM 176 CB PRO A 12 -3.627 -9.627 17.270 1.00 3.22 C ATOM 177 CG PRO A 12 -3.269 -8.143 17.223 1.00 3.33 C ATOM 178 CD PRO A 12 -2.696 -7.968 15.816 1.00 2.67 C ATOM 0 HA PRO A 12 -4.014 -10.955 15.561 1.00 2.35 H new ATOM 0 HB2 PRO A 12 -4.408 -9.832 18.002 1.00 3.22 H new ATOM 0 HB3 PRO A 12 -2.769 -10.242 17.540 1.00 3.22 H new ATOM 0 HG2 PRO A 12 -4.143 -7.512 17.383 1.00 3.33 H new ATOM 0 HG3 PRO A 12 -2.541 -7.880 17.990 1.00 3.33 H new ATOM 0 HD2 PRO A 12 -2.973 -6.999 15.401 1.00 2.67 H new ATOM 0 HD3 PRO A 12 -1.607 -8.008 15.832 1.00 2.67 H new ATOM 186 N GLY A 13 -5.940 -8.507 14.940 1.00 1.88 N ATOM 187 CA GLY A 13 -7.310 -8.057 14.682 1.00 1.62 C ATOM 188 C GLY A 13 -7.780 -8.298 13.236 1.00 1.19 C ATOM 189 O GLY A 13 -6.971 -8.623 12.366 1.00 1.45 O ATOM 0 H GLY A 13 -5.242 -7.916 14.489 1.00 1.88 H new ATOM 0 HA2 GLY A 13 -7.986 -8.571 15.365 1.00 1.62 H new ATOM 0 HA3 GLY A 13 -7.381 -6.992 14.905 1.00 1.62 H new ATOM 193 N PRO A 14 -9.083 -8.080 12.959 1.00 1.10 N ATOM 194 CA PRO A 14 -9.716 -8.318 11.658 1.00 1.16 C ATOM 195 C PRO A 14 -9.335 -7.284 10.583 1.00 0.95 C ATOM 196 O PRO A 14 -9.772 -7.412 9.437 1.00 1.13 O ATOM 197 CB PRO A 14 -11.220 -8.278 11.949 1.00 1.67 C ATOM 198 CG PRO A 14 -11.309 -7.250 13.075 1.00 1.80 C ATOM 199 CD PRO A 14 -10.067 -7.566 13.904 1.00 1.52 C ATOM 0 HA PRO A 14 -9.382 -9.268 11.240 1.00 1.16 H new ATOM 0 HB2 PRO A 14 -11.795 -7.973 11.075 1.00 1.67 H new ATOM 0 HB3 PRO A 14 -11.600 -9.252 12.257 1.00 1.67 H new ATOM 0 HG2 PRO A 14 -11.295 -6.229 12.695 1.00 1.80 H new ATOM 0 HG3 PRO A 14 -12.225 -7.361 13.656 1.00 1.80 H new ATOM 0 HD2 PRO A 14 -9.696 -6.674 14.409 1.00 1.52 H new ATOM 0 HD3 PRO A 14 -10.289 -8.302 14.677 1.00 1.52 H new ATOM 207 N ASN A 15 -8.545 -6.268 10.946 1.00 0.79 N ATOM 208 CA ASN A 15 -7.933 -5.289 10.052 1.00 0.71 C ATOM 209 C ASN A 15 -6.393 -5.275 10.171 1.00 0.71 C ATOM 210 O ASN A 15 -5.823 -5.663 11.192 1.00 0.82 O ATOM 211 CB ASN A 15 -8.558 -3.902 10.306 1.00 0.89 C ATOM 212 CG ASN A 15 -8.497 -3.403 11.752 1.00 1.47 C ATOM 213 OD1 ASN A 15 -7.815 -3.943 12.611 1.00 2.09 O ATOM 214 ND2 ASN A 15 -9.236 -2.351 12.065 1.00 2.14 N ATOM 0 H ASN A 15 -8.305 -6.101 11.923 1.00 0.79 H new ATOM 0 HA ASN A 15 -8.141 -5.576 9.021 1.00 0.71 H new ATOM 0 HB2 ASN A 15 -8.056 -3.175 9.668 1.00 0.89 H new ATOM 0 HB3 ASN A 15 -9.602 -3.931 9.995 1.00 0.89 H new ATOM 0 HD21 ASN A 15 -9.235 -1.993 13.020 1.00 2.14 H new ATOM 0 HD22 ASN A 15 -9.806 -1.898 11.351 1.00 2.14 H new ATOM 221 N ALA A 16 -5.705 -4.811 9.118 1.00 0.71 N ATOM 222 CA ALA A 16 -4.244 -4.879 8.958 1.00 0.84 C ATOM 223 C ALA A 16 -3.713 -3.788 8.003 1.00 0.65 C ATOM 224 O ALA A 16 -4.502 -3.032 7.437 1.00 0.64 O ATOM 225 CB ALA A 16 -3.871 -6.300 8.493 1.00 1.30 C ATOM 0 H ALA A 16 -6.166 -4.362 8.326 1.00 0.71 H new ATOM 0 HA ALA A 16 -3.764 -4.679 9.916 1.00 0.84 H new ATOM 0 HB1 ALA A 16 -2.790 -6.370 8.369 1.00 1.30 H new ATOM 0 HB2 ALA A 16 -4.198 -7.024 9.239 1.00 1.30 H new ATOM 0 HB3 ALA A 16 -4.360 -6.512 7.542 1.00 1.30 H new ATOM 231 N ALA A 17 -2.387 -3.710 7.824 1.00 0.90 N ATOM 232 CA ALA A 17 -1.721 -2.728 6.957 1.00 0.84 C ATOM 233 C ALA A 17 -0.703 -3.374 5.997 1.00 0.82 C ATOM 234 O ALA A 17 -0.289 -4.517 6.217 1.00 1.02 O ATOM 235 CB ALA A 17 -1.039 -1.674 7.841 1.00 1.00 C ATOM 0 H ALA A 17 -1.734 -4.341 8.288 1.00 0.90 H new ATOM 0 HA ALA A 17 -2.478 -2.262 6.326 1.00 0.84 H new ATOM 0 HB1 ALA A 17 -0.540 -0.938 7.211 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -1.788 -1.176 8.457 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -0.304 -2.159 8.484 1.00 1.00 H new ATOM 241 N ALA A 18 -0.253 -2.613 4.989 1.00 0.99 N ATOM 242 CA ALA A 18 0.867 -2.980 4.107 1.00 1.08 C ATOM 243 C ALA A 18 1.561 -1.776 3.437 1.00 0.95 C ATOM 244 O ALA A 18 0.972 -0.702 3.289 1.00 1.02 O ATOM 245 CB ALA A 18 0.382 -3.984 3.052 1.00 1.17 C ATOM 0 H ALA A 18 -0.664 -1.708 4.759 1.00 0.99 H new ATOM 0 HA ALA A 18 1.628 -3.436 4.741 1.00 1.08 H new ATOM 0 HB1 ALA A 18 1.212 -4.255 2.399 1.00 1.17 H new ATOM 0 HB2 ALA A 18 0.003 -4.878 3.547 1.00 1.17 H new ATOM 0 HB3 ALA A 18 -0.414 -3.533 2.459 1.00 1.17 H new ATOM 251 N TYR A 19 2.806 -1.995 2.992 1.00 0.86 N ATOM 252 CA TYR A 19 3.752 -0.996 2.461 1.00 0.89 C ATOM 253 C TYR A 19 4.661 -1.625 1.392 1.00 0.98 C ATOM 254 O TYR A 19 4.963 -2.815 1.487 1.00 1.16 O ATOM 255 CB TYR A 19 4.658 -0.484 3.593 1.00 1.01 C ATOM 256 CG TYR A 19 3.977 -0.329 4.933 1.00 1.03 C ATOM 257 CD1 TYR A 19 3.280 0.843 5.275 1.00 2.39 C ATOM 258 CD2 TYR A 19 4.007 -1.416 5.817 1.00 1.41 C ATOM 259 CE1 TYR A 19 2.627 0.925 6.520 1.00 2.49 C ATOM 260 CE2 TYR A 19 3.392 -1.334 7.070 1.00 1.34 C ATOM 261 CZ TYR A 19 2.688 -0.159 7.429 1.00 1.17 C ATOM 262 OH TYR A 19 2.064 -0.057 8.635 1.00 1.35 O ATOM 0 H TYR A 19 3.207 -2.933 2.992 1.00 0.86 H new ATOM 0 HA TYR A 19 3.170 -0.182 2.028 1.00 0.89 H new ATOM 0 HB2 TYR A 19 5.497 -1.171 3.706 1.00 1.01 H new ATOM 0 HB3 TYR A 19 5.072 0.480 3.299 1.00 1.01 H new ATOM 0 HD1 TYR A 19 3.246 1.675 4.587 1.00 2.39 H new ATOM 0 HD2 TYR A 19 4.510 -2.327 5.527 1.00 1.41 H new ATOM 0 HE1 TYR A 19 2.078 1.817 6.782 1.00 2.49 H new ATOM 0 HE2 TYR A 19 3.454 -2.162 7.760 1.00 1.34 H new ATOM 0 HH TYR A 19 1.283 0.529 8.551 1.00 1.35 H new ATOM 272 N LEU A 20 5.148 -0.845 0.415 1.00 0.92 N ATOM 273 CA LEU A 20 6.027 -1.339 -0.656 1.00 0.98 C ATOM 274 C LEU A 20 6.668 -0.223 -1.478 1.00 0.92 C ATOM 275 O LEU A 20 6.084 0.848 -1.646 1.00 0.83 O ATOM 276 CB LEU A 20 5.316 -2.396 -1.543 1.00 1.01 C ATOM 277 CG LEU A 20 4.021 -1.928 -2.245 1.00 0.94 C ATOM 278 CD1 LEU A 20 4.296 -1.347 -3.641 1.00 1.57 C ATOM 279 CD2 LEU A 20 3.044 -3.104 -2.385 1.00 1.64 C ATOM 0 H LEU A 20 4.942 0.152 0.345 1.00 0.92 H new ATOM 0 HA LEU A 20 6.856 -1.842 -0.158 1.00 0.98 H new ATOM 0 HB2 LEU A 20 6.018 -2.733 -2.306 1.00 1.01 H new ATOM 0 HB3 LEU A 20 5.078 -3.261 -0.924 1.00 1.01 H new ATOM 0 HG LEU A 20 3.588 -1.143 -1.625 1.00 0.94 H new ATOM 0 HD11 LEU A 20 3.357 -1.032 -4.095 1.00 1.57 H new ATOM 0 HD12 LEU A 20 4.963 -0.489 -3.553 1.00 1.57 H new ATOM 0 HD13 LEU A 20 4.764 -2.108 -4.266 1.00 1.57 H new ATOM 0 HD21 LEU A 20 2.135 -2.764 -2.881 1.00 1.64 H new ATOM 0 HD22 LEU A 20 3.507 -3.893 -2.977 1.00 1.64 H new ATOM 0 HD23 LEU A 20 2.796 -3.490 -1.396 1.00 1.64 H new ATOM 291 N THR A 21 7.855 -0.520 -2.007 1.00 1.06 N ATOM 292 CA THR A 21 8.601 0.284 -2.977 1.00 1.08 C ATOM 293 C THR A 21 8.302 -0.229 -4.376 1.00 1.17 C ATOM 294 O THR A 21 8.392 -1.430 -4.632 1.00 1.43 O ATOM 295 CB THR A 21 10.107 0.227 -2.699 1.00 1.38 C ATOM 296 OG1 THR A 21 10.327 0.494 -1.333 1.00 1.44 O ATOM 297 CG2 THR A 21 10.872 1.264 -3.525 1.00 1.62 C ATOM 0 H THR A 21 8.350 -1.376 -1.757 1.00 1.06 H new ATOM 0 HA THR A 21 8.289 1.325 -2.891 1.00 1.08 H new ATOM 0 HB THR A 21 10.466 -0.766 -2.972 1.00 1.38 H new ATOM 0 HG1 THR A 21 10.099 -0.299 -0.804 1.00 1.44 H new ATOM 0 HG21 THR A 21 11.937 1.194 -3.301 1.00 1.62 H new ATOM 0 HG22 THR A 21 10.711 1.075 -4.586 1.00 1.62 H new ATOM 0 HG23 THR A 21 10.514 2.263 -3.276 1.00 1.62 H new ATOM 305 N LEU A 22 7.968 0.685 -5.285 1.00 1.24 N ATOM 306 CA LEU A 22 7.685 0.397 -6.686 1.00 1.49 C ATOM 307 C LEU A 22 8.271 1.476 -7.602 1.00 1.19 C ATOM 308 O LEU A 22 8.596 2.590 -7.183 1.00 1.11 O ATOM 309 CB LEU A 22 6.182 0.192 -6.897 1.00 1.82 C ATOM 310 CG LEU A 22 5.971 -0.954 -7.909 1.00 2.82 C ATOM 311 CD1 LEU A 22 6.070 -2.339 -7.256 1.00 4.48 C ATOM 312 CD2 LEU A 22 4.626 -0.759 -8.579 1.00 2.23 C ATOM 0 H LEU A 22 7.885 1.676 -5.058 1.00 1.24 H new ATOM 0 HA LEU A 22 8.177 -0.536 -6.960 1.00 1.49 H new ATOM 0 HB2 LEU A 22 5.698 -0.047 -5.950 1.00 1.82 H new ATOM 0 HB3 LEU A 22 5.725 1.110 -7.266 1.00 1.82 H new ATOM 0 HG LEU A 22 6.768 -0.918 -8.651 1.00 2.82 H new ATOM 0 HD11 LEU A 22 5.914 -3.109 -8.011 1.00 4.48 H new ATOM 0 HD12 LEU A 22 7.057 -2.462 -6.811 1.00 4.48 H new ATOM 0 HD13 LEU A 22 5.309 -2.431 -6.481 1.00 4.48 H new ATOM 0 HD21 LEU A 22 4.458 -1.560 -9.299 1.00 2.23 H new ATOM 0 HD22 LEU A 22 3.838 -0.777 -7.826 1.00 2.23 H new ATOM 0 HD23 LEU A 22 4.612 0.201 -9.095 1.00 2.23 H new ATOM 324 N GLU A 23 8.425 1.125 -8.874 1.00 1.19 N ATOM 325 CA GLU A 23 9.162 1.911 -9.850 1.00 1.18 C ATOM 326 C GLU A 23 8.605 1.692 -11.253 1.00 1.22 C ATOM 327 O GLU A 23 8.464 0.562 -11.716 1.00 1.70 O ATOM 328 CB GLU A 23 10.671 1.609 -9.746 1.00 1.52 C ATOM 329 CG GLU A 23 11.030 0.121 -9.897 1.00 1.78 C ATOM 330 CD GLU A 23 12.490 -0.158 -9.560 1.00 2.36 C ATOM 331 OE1 GLU A 23 12.899 0.130 -8.417 1.00 3.29 O ATOM 332 OE2 GLU A 23 13.183 -0.729 -10.434 1.00 2.86 O ATOM 0 H GLU A 23 8.032 0.267 -9.261 1.00 1.19 H new ATOM 0 HA GLU A 23 9.034 2.971 -9.632 1.00 1.18 H new ATOM 0 HB2 GLU A 23 11.197 2.177 -10.513 1.00 1.52 H new ATOM 0 HB3 GLU A 23 11.035 1.963 -8.781 1.00 1.52 H new ATOM 0 HG2 GLU A 23 10.389 -0.473 -9.246 1.00 1.78 H new ATOM 0 HG3 GLU A 23 10.828 -0.197 -10.920 1.00 1.78 H new ATOM 339 N ASN A 24 8.282 2.791 -11.928 1.00 0.87 N ATOM 340 CA ASN A 24 7.849 2.802 -13.317 1.00 0.84 C ATOM 341 C ASN A 24 9.079 2.846 -14.244 1.00 0.89 C ATOM 342 O ASN A 24 9.814 3.833 -14.209 1.00 0.89 O ATOM 343 CB ASN A 24 6.956 4.031 -13.524 1.00 0.76 C ATOM 344 CG ASN A 24 6.363 4.079 -14.923 1.00 0.76 C ATOM 345 OD1 ASN A 24 6.672 3.269 -15.788 1.00 0.93 O ATOM 346 ND2 ASN A 24 5.479 5.019 -15.162 1.00 0.72 N ATOM 0 H ASN A 24 8.316 3.721 -11.511 1.00 0.87 H new ATOM 0 HA ASN A 24 7.286 1.900 -13.556 1.00 0.84 H new ATOM 0 HB2 ASN A 24 6.151 4.021 -12.790 1.00 0.76 H new ATOM 0 HB3 ASN A 24 7.538 4.935 -13.346 1.00 0.76 H new ATOM 0 HD21 ASN A 24 5.038 5.083 -16.079 1.00 0.72 H new ATOM 0 HD22 ASN A 24 5.233 5.686 -14.430 1.00 0.72 H new ATOM 353 N PRO A 25 9.324 1.817 -15.075 1.00 0.99 N ATOM 354 CA PRO A 25 10.445 1.798 -16.012 1.00 1.06 C ATOM 355 C PRO A 25 10.146 2.447 -17.371 1.00 1.11 C ATOM 356 O PRO A 25 11.085 2.684 -18.125 1.00 1.19 O ATOM 357 CB PRO A 25 10.741 0.306 -16.196 1.00 1.17 C ATOM 358 CG PRO A 25 9.345 -0.317 -16.117 1.00 1.23 C ATOM 359 CD PRO A 25 8.669 0.515 -15.038 1.00 1.10 C ATOM 0 HA PRO A 25 11.278 2.381 -15.618 1.00 1.06 H new ATOM 0 HB2 PRO A 25 11.224 0.102 -17.152 1.00 1.17 H new ATOM 0 HB3 PRO A 25 11.401 -0.076 -15.418 1.00 1.17 H new ATOM 0 HG2 PRO A 25 8.818 -0.252 -17.069 1.00 1.23 H new ATOM 0 HG3 PRO A 25 9.387 -1.372 -15.848 1.00 1.23 H new ATOM 0 HD2 PRO A 25 7.600 0.609 -15.229 1.00 1.10 H new ATOM 0 HD3 PRO A 25 8.778 0.049 -14.059 1.00 1.10 H new ATOM 367 N GLY A 26 8.875 2.707 -17.706 1.00 1.10 N ATOM 368 CA GLY A 26 8.456 3.216 -19.016 1.00 1.16 C ATOM 369 C GLY A 26 8.305 4.734 -19.051 1.00 0.93 C ATOM 370 O GLY A 26 8.421 5.405 -18.030 1.00 0.89 O ATOM 0 H GLY A 26 8.097 2.567 -17.062 1.00 1.10 H new ATOM 0 HA2 GLY A 26 9.186 2.913 -19.767 1.00 1.16 H new ATOM 0 HA3 GLY A 26 7.506 2.756 -19.290 1.00 1.16 H new ATOM 374 N ASP A 27 8.039 5.264 -20.248 1.00 0.98 N ATOM 375 CA ASP A 27 7.883 6.703 -20.534 1.00 0.97 C ATOM 376 C ASP A 27 6.441 7.232 -20.396 1.00 0.89 C ATOM 377 O ASP A 27 6.209 8.434 -20.511 1.00 1.10 O ATOM 378 CB ASP A 27 8.479 6.998 -21.921 1.00 1.27 C ATOM 379 CG ASP A 27 9.993 7.160 -21.800 1.00 2.17 C ATOM 380 OD1 ASP A 27 10.709 6.137 -21.706 1.00 2.16 O ATOM 381 OD2 ASP A 27 10.451 8.308 -21.604 1.00 3.74 O ATOM 0 H ASP A 27 7.921 4.685 -21.080 1.00 0.98 H new ATOM 0 HA ASP A 27 8.431 7.250 -19.767 1.00 0.97 H new ATOM 0 HB2 ASP A 27 8.243 6.187 -22.610 1.00 1.27 H new ATOM 0 HB3 ASP A 27 8.037 7.905 -22.333 1.00 1.27 H new ATOM 386 N LEU A 28 5.473 6.360 -20.089 1.00 0.84 N ATOM 387 CA LEU A 28 4.082 6.731 -19.794 1.00 0.99 C ATOM 388 C LEU A 28 3.838 6.812 -18.270 1.00 0.79 C ATOM 389 O LEU A 28 4.600 6.210 -17.513 1.00 0.68 O ATOM 390 CB LEU A 28 3.140 5.778 -20.563 1.00 1.29 C ATOM 391 CG LEU A 28 3.126 4.293 -20.132 1.00 1.53 C ATOM 392 CD1 LEU A 28 2.291 4.055 -18.864 1.00 2.02 C ATOM 393 CD2 LEU A 28 2.517 3.456 -21.267 1.00 1.98 C ATOM 0 H LEU A 28 5.638 5.355 -20.037 1.00 0.84 H new ATOM 0 HA LEU A 28 3.861 7.738 -20.148 1.00 0.99 H new ATOM 0 HB2 LEU A 28 2.125 6.164 -20.475 1.00 1.29 H new ATOM 0 HB3 LEU A 28 3.407 5.820 -21.619 1.00 1.29 H new ATOM 0 HG LEU A 28 4.155 4.005 -19.919 1.00 1.53 H new ATOM 0 HD11 LEU A 28 2.315 2.996 -18.606 1.00 2.02 H new ATOM 0 HD12 LEU A 28 2.704 4.639 -18.041 1.00 2.02 H new ATOM 0 HD13 LEU A 28 1.260 4.361 -19.044 1.00 2.02 H new ATOM 0 HD21 LEU A 28 2.501 2.406 -20.976 1.00 1.98 H new ATOM 0 HD22 LEU A 28 1.499 3.794 -21.463 1.00 1.98 H new ATOM 0 HD23 LEU A 28 3.118 3.574 -22.169 1.00 1.98 H new ATOM 405 N PRO A 29 2.806 7.524 -17.775 1.00 0.94 N ATOM 406 CA PRO A 29 2.562 7.699 -16.342 1.00 0.87 C ATOM 407 C PRO A 29 1.768 6.512 -15.762 1.00 0.74 C ATOM 408 O PRO A 29 1.052 5.821 -16.489 1.00 0.86 O ATOM 409 CB PRO A 29 1.774 9.003 -16.237 1.00 1.14 C ATOM 410 CG PRO A 29 0.949 9.013 -17.527 1.00 1.35 C ATOM 411 CD PRO A 29 1.810 8.254 -18.541 1.00 1.30 C ATOM 0 HA PRO A 29 3.489 7.737 -15.770 1.00 0.87 H new ATOM 0 HB2 PRO A 29 1.138 9.020 -15.352 1.00 1.14 H new ATOM 0 HB3 PRO A 29 2.433 9.869 -16.173 1.00 1.14 H new ATOM 0 HG2 PRO A 29 -0.016 8.527 -17.384 1.00 1.35 H new ATOM 0 HG3 PRO A 29 0.747 10.031 -17.861 1.00 1.35 H new ATOM 0 HD2 PRO A 29 1.200 7.572 -19.133 1.00 1.30 H new ATOM 0 HD3 PRO A 29 2.286 8.943 -19.238 1.00 1.30 H new ATOM 419 N LEU A 30 1.859 6.285 -14.442 1.00 0.65 N ATOM 420 CA LEU A 30 1.315 5.081 -13.793 1.00 0.61 C ATOM 421 C LEU A 30 0.459 5.432 -12.582 1.00 0.77 C ATOM 422 O LEU A 30 0.959 5.822 -11.532 1.00 1.21 O ATOM 423 CB LEU A 30 2.466 4.141 -13.422 1.00 0.85 C ATOM 424 CG LEU A 30 2.238 2.679 -13.835 1.00 0.87 C ATOM 425 CD1 LEU A 30 2.226 2.466 -15.351 1.00 2.14 C ATOM 426 CD2 LEU A 30 3.333 1.797 -13.239 1.00 1.99 C ATOM 0 H LEU A 30 2.311 6.930 -13.795 1.00 0.65 H new ATOM 0 HA LEU A 30 0.656 4.569 -14.495 1.00 0.61 H new ATOM 0 HB2 LEU A 30 3.381 4.502 -13.891 1.00 0.85 H new ATOM 0 HB3 LEU A 30 2.622 4.183 -12.344 1.00 0.85 H new ATOM 0 HG LEU A 30 1.253 2.409 -13.455 1.00 0.87 H new ATOM 0 HD11 LEU A 30 2.060 1.411 -15.569 1.00 2.14 H new ATOM 0 HD12 LEU A 30 1.426 3.058 -15.795 1.00 2.14 H new ATOM 0 HD13 LEU A 30 3.183 2.777 -15.770 1.00 2.14 H new ATOM 0 HD21 LEU A 30 3.167 0.761 -13.535 1.00 1.99 H new ATOM 0 HD22 LEU A 30 4.305 2.127 -13.604 1.00 1.99 H new ATOM 0 HD23 LEU A 30 3.309 1.872 -12.152 1.00 1.99 H new ATOM 438 N ARG A 31 -0.848 5.257 -12.745 1.00 0.60 N ATOM 439 CA ARG A 31 -1.873 5.589 -11.735 1.00 0.62 C ATOM 440 C ARG A 31 -2.335 4.347 -10.969 1.00 0.60 C ATOM 441 O ARG A 31 -3.046 3.511 -11.522 1.00 0.65 O ATOM 442 CB ARG A 31 -3.035 6.362 -12.381 1.00 0.73 C ATOM 443 CG ARG A 31 -4.037 6.880 -11.331 1.00 0.83 C ATOM 444 CD ARG A 31 -5.008 7.933 -11.882 1.00 1.13 C ATOM 445 NE ARG A 31 -4.341 9.224 -12.119 1.00 1.33 N ATOM 446 CZ ARG A 31 -4.898 10.402 -12.353 1.00 1.81 C ATOM 447 NH1 ARG A 31 -6.196 10.548 -12.547 1.00 2.60 N ATOM 448 NH2 ARG A 31 -4.126 11.460 -12.393 1.00 2.73 N ATOM 0 H ARG A 31 -1.244 4.871 -13.602 1.00 0.60 H new ATOM 0 HA ARG A 31 -1.425 6.247 -10.991 1.00 0.62 H new ATOM 0 HB2 ARG A 31 -2.639 7.203 -12.950 1.00 0.73 H new ATOM 0 HB3 ARG A 31 -3.553 5.714 -13.088 1.00 0.73 H new ATOM 0 HG2 ARG A 31 -4.609 6.039 -10.940 1.00 0.83 H new ATOM 0 HG3 ARG A 31 -3.486 7.308 -10.494 1.00 0.83 H new ATOM 0 HD2 ARG A 31 -5.443 7.573 -12.814 1.00 1.13 H new ATOM 0 HD3 ARG A 31 -5.829 8.072 -11.179 1.00 1.13 H new ATOM 0 HE ARG A 31 -3.321 9.209 -12.101 1.00 1.33 H new ATOM 0 HH11 ARG A 31 -6.810 9.734 -12.519 1.00 2.60 H new ATOM 0 HH12 ARG A 31 -6.584 11.474 -12.724 1.00 2.60 H new ATOM 0 HH21 ARG A 31 -3.121 11.364 -12.246 1.00 2.73 H new ATOM 0 HH22 ARG A 31 -4.530 12.380 -12.572 1.00 2.73 H new ATOM 462 N LEU A 32 -1.907 4.216 -9.714 1.00 0.57 N ATOM 463 CA LEU A 32 -2.181 3.095 -8.810 1.00 0.55 C ATOM 464 C LEU A 32 -3.524 3.325 -8.104 1.00 0.57 C ATOM 465 O LEU A 32 -3.657 4.259 -7.323 1.00 0.58 O ATOM 466 CB LEU A 32 -1.004 3.021 -7.818 1.00 0.50 C ATOM 467 CG LEU A 32 -1.123 1.973 -6.691 1.00 0.51 C ATOM 468 CD1 LEU A 32 -1.061 0.538 -7.231 1.00 0.65 C ATOM 469 CD2 LEU A 32 0.027 2.177 -5.693 1.00 0.70 C ATOM 0 H LEU A 32 -1.326 4.930 -9.274 1.00 0.57 H new ATOM 0 HA LEU A 32 -2.264 2.148 -9.343 1.00 0.55 H new ATOM 0 HB2 LEU A 32 -0.094 2.815 -8.382 1.00 0.50 H new ATOM 0 HB3 LEU A 32 -0.880 4.003 -7.360 1.00 0.50 H new ATOM 0 HG LEU A 32 -2.090 2.111 -6.208 1.00 0.51 H new ATOM 0 HD11 LEU A 32 -1.149 -0.166 -6.404 1.00 0.65 H new ATOM 0 HD12 LEU A 32 -1.880 0.377 -7.932 1.00 0.65 H new ATOM 0 HD13 LEU A 32 -0.111 0.382 -7.741 1.00 0.65 H new ATOM 0 HD21 LEU A 32 -0.050 1.440 -4.893 1.00 0.70 H new ATOM 0 HD22 LEU A 32 0.981 2.056 -6.207 1.00 0.70 H new ATOM 0 HD23 LEU A 32 -0.032 3.180 -5.269 1.00 0.70 H new ATOM 481 N VAL A 33 -4.514 2.476 -8.366 1.00 0.64 N ATOM 482 CA VAL A 33 -5.906 2.666 -7.903 1.00 0.69 C ATOM 483 C VAL A 33 -6.300 1.694 -6.776 1.00 0.71 C ATOM 484 O VAL A 33 -7.322 1.883 -6.121 1.00 0.76 O ATOM 485 CB VAL A 33 -6.912 2.601 -9.082 1.00 0.80 C ATOM 486 CG1 VAL A 33 -6.637 3.721 -10.103 1.00 0.80 C ATOM 487 CG2 VAL A 33 -6.902 1.256 -9.829 1.00 0.88 C ATOM 0 H VAL A 33 -4.382 1.624 -8.911 1.00 0.64 H new ATOM 0 HA VAL A 33 -5.952 3.668 -7.477 1.00 0.69 H new ATOM 0 HB VAL A 33 -7.894 2.725 -8.625 1.00 0.80 H new ATOM 0 HG11 VAL A 33 -7.356 3.653 -10.920 1.00 0.80 H new ATOM 0 HG12 VAL A 33 -6.733 4.691 -9.614 1.00 0.80 H new ATOM 0 HG13 VAL A 33 -5.627 3.613 -10.499 1.00 0.80 H new ATOM 0 HG21 VAL A 33 -7.630 1.285 -10.640 1.00 0.88 H new ATOM 0 HG22 VAL A 33 -5.909 1.075 -10.240 1.00 0.88 H new ATOM 0 HG23 VAL A 33 -7.160 0.454 -9.138 1.00 0.88 H new ATOM 497 N GLY A 34 -5.480 0.667 -6.528 1.00 0.72 N ATOM 498 CA GLY A 34 -5.626 -0.262 -5.409 1.00 0.80 C ATOM 499 C GLY A 34 -4.608 -1.390 -5.497 1.00 0.81 C ATOM 500 O GLY A 34 -3.690 -1.343 -6.315 1.00 0.73 O ATOM 0 H GLY A 34 -4.675 0.456 -7.118 1.00 0.72 H new ATOM 0 HA2 GLY A 34 -5.499 0.274 -4.468 1.00 0.80 H new ATOM 0 HA3 GLY A 34 -6.634 -0.677 -5.406 1.00 0.80 H new ATOM 504 N ALA A 35 -4.788 -2.429 -4.685 1.00 0.98 N ATOM 505 CA ALA A 35 -4.066 -3.690 -4.814 1.00 1.01 C ATOM 506 C ALA A 35 -4.902 -4.850 -4.257 1.00 1.20 C ATOM 507 O ALA A 35 -5.581 -4.690 -3.248 1.00 1.96 O ATOM 508 CB ALA A 35 -2.697 -3.574 -4.148 1.00 1.19 C ATOM 0 H ALA A 35 -5.449 -2.417 -3.908 1.00 0.98 H new ATOM 0 HA ALA A 35 -3.896 -3.909 -5.868 1.00 1.01 H new ATOM 0 HB1 ALA A 35 -2.163 -4.519 -4.248 1.00 1.19 H new ATOM 0 HB2 ALA A 35 -2.124 -2.781 -4.629 1.00 1.19 H new ATOM 0 HB3 ALA A 35 -2.825 -3.339 -3.091 1.00 1.19 H new ATOM 514 N ARG A 36 -4.871 -6.004 -4.920 1.00 0.80 N ATOM 515 CA ARG A 36 -5.750 -7.153 -4.680 1.00 0.79 C ATOM 516 C ARG A 36 -4.929 -8.265 -4.027 1.00 0.68 C ATOM 517 O ARG A 36 -3.790 -8.504 -4.424 1.00 0.88 O ATOM 518 CB ARG A 36 -6.393 -7.557 -6.026 1.00 1.12 C ATOM 519 CG ARG A 36 -6.895 -9.008 -6.100 1.00 1.86 C ATOM 520 CD ARG A 36 -7.356 -9.406 -7.512 1.00 2.80 C ATOM 521 NE ARG A 36 -6.279 -10.068 -8.271 1.00 4.29 N ATOM 522 CZ ARG A 36 -6.353 -10.573 -9.496 1.00 5.36 C ATOM 523 NH1 ARG A 36 -7.430 -10.467 -10.246 1.00 5.41 N ATOM 524 NH2 ARG A 36 -5.309 -11.209 -9.978 1.00 6.89 N ATOM 0 H ARG A 36 -4.204 -6.174 -5.673 1.00 0.80 H new ATOM 0 HA ARG A 36 -6.564 -6.921 -3.993 1.00 0.79 H new ATOM 0 HB2 ARG A 36 -7.231 -6.889 -6.226 1.00 1.12 H new ATOM 0 HB3 ARG A 36 -5.664 -7.400 -6.821 1.00 1.12 H new ATOM 0 HG2 ARG A 36 -6.099 -9.680 -5.779 1.00 1.86 H new ATOM 0 HG3 ARG A 36 -7.722 -9.138 -5.402 1.00 1.86 H new ATOM 0 HD2 ARG A 36 -8.214 -10.074 -7.440 1.00 2.80 H new ATOM 0 HD3 ARG A 36 -7.688 -8.518 -8.050 1.00 2.80 H new ATOM 0 HE ARG A 36 -5.377 -10.147 -7.802 1.00 4.29 H new ATOM 0 HH11 ARG A 36 -8.253 -9.981 -9.891 1.00 5.41 H new ATOM 0 HH12 ARG A 36 -7.441 -10.871 -11.182 1.00 5.41 H new ATOM 0 HH21 ARG A 36 -4.465 -11.306 -9.413 1.00 6.89 H new ATOM 0 HH22 ARG A 36 -5.342 -11.606 -10.917 1.00 6.89 H new ATOM 538 N THR A 37 -5.493 -8.971 -3.044 1.00 0.50 N ATOM 539 CA THR A 37 -4.775 -9.922 -2.180 1.00 0.53 C ATOM 540 C THR A 37 -5.739 -11.001 -1.680 1.00 0.62 C ATOM 541 O THR A 37 -6.933 -10.716 -1.601 1.00 0.54 O ATOM 542 CB THR A 37 -4.147 -9.164 -1.008 1.00 0.60 C ATOM 543 OG1 THR A 37 -3.489 -10.100 -0.191 1.00 0.84 O ATOM 544 CG2 THR A 37 -5.133 -8.370 -0.143 1.00 0.67 C ATOM 0 H THR A 37 -6.485 -8.898 -2.818 1.00 0.50 H new ATOM 0 HA THR A 37 -3.982 -10.411 -2.746 1.00 0.53 H new ATOM 0 HB THR A 37 -3.475 -8.425 -1.444 1.00 0.60 H new ATOM 0 HG1 THR A 37 -2.805 -9.645 0.343 1.00 0.84 H new ATOM 0 HG21 THR A 37 -4.591 -7.869 0.659 1.00 0.67 H new ATOM 0 HG22 THR A 37 -5.640 -7.626 -0.758 1.00 0.67 H new ATOM 0 HG23 THR A 37 -5.870 -9.049 0.286 1.00 0.67 H new ATOM 552 N PRO A 38 -5.262 -12.204 -1.306 1.00 0.91 N ATOM 553 CA PRO A 38 -6.054 -13.165 -0.548 1.00 1.10 C ATOM 554 C PRO A 38 -5.982 -12.957 0.964 1.00 1.18 C ATOM 555 O PRO A 38 -6.750 -13.587 1.684 1.00 1.41 O ATOM 556 CB PRO A 38 -5.454 -14.508 -0.917 1.00 1.15 C ATOM 557 CG PRO A 38 -3.975 -14.199 -1.072 1.00 1.13 C ATOM 558 CD PRO A 38 -3.972 -12.790 -1.666 1.00 1.08 C ATOM 0 HA PRO A 38 -7.112 -13.068 -0.791 1.00 1.10 H new ATOM 0 HB2 PRO A 38 -5.630 -15.254 -0.142 1.00 1.15 H new ATOM 0 HB3 PRO A 38 -5.882 -14.900 -1.840 1.00 1.15 H new ATOM 0 HG2 PRO A 38 -3.454 -14.234 -0.115 1.00 1.13 H new ATOM 0 HG3 PRO A 38 -3.481 -14.914 -1.730 1.00 1.13 H new ATOM 0 HD2 PRO A 38 -3.148 -12.199 -1.266 1.00 1.08 H new ATOM 0 HD3 PRO A 38 -3.845 -12.822 -2.748 1.00 1.08 H new ATOM 566 N VAL A 39 -5.088 -12.096 1.466 1.00 1.09 N ATOM 567 CA VAL A 39 -5.032 -11.800 2.918 1.00 1.25 C ATOM 568 C VAL A 39 -6.227 -10.988 3.420 1.00 1.03 C ATOM 569 O VAL A 39 -6.353 -10.832 4.627 1.00 1.17 O ATOM 570 CB VAL A 39 -3.732 -11.122 3.442 1.00 1.60 C ATOM 571 CG1 VAL A 39 -2.451 -11.801 2.954 1.00 1.98 C ATOM 572 CG2 VAL A 39 -3.640 -9.602 3.195 1.00 1.60 C ATOM 0 H VAL A 39 -4.400 -11.595 0.905 1.00 1.09 H new ATOM 0 HA VAL A 39 -5.053 -12.808 3.331 1.00 1.25 H new ATOM 0 HB VAL A 39 -3.814 -11.262 4.520 1.00 1.60 H new ATOM 0 HG11 VAL A 39 -1.585 -11.276 3.357 1.00 1.98 H new ATOM 0 HG12 VAL A 39 -2.437 -12.837 3.291 1.00 1.98 H new ATOM 0 HG13 VAL A 39 -2.417 -11.774 1.865 1.00 1.98 H new ATOM 0 HG21 VAL A 39 -2.699 -9.224 3.596 1.00 1.60 H new ATOM 0 HG22 VAL A 39 -3.683 -9.404 2.124 1.00 1.60 H new ATOM 0 HG23 VAL A 39 -4.472 -9.102 3.690 1.00 1.60 H new ATOM 582 N ALA A 40 -7.092 -10.454 2.548 1.00 0.80 N ATOM 583 CA ALA A 40 -8.135 -9.488 2.898 1.00 0.71 C ATOM 584 C ALA A 40 -9.235 -9.411 1.836 1.00 0.67 C ATOM 585 O ALA A 40 -9.019 -9.817 0.696 1.00 0.94 O ATOM 586 CB ALA A 40 -7.482 -8.120 3.103 1.00 0.92 C ATOM 0 H ALA A 40 -7.084 -10.689 1.556 1.00 0.80 H new ATOM 0 HA ALA A 40 -8.619 -9.816 3.818 1.00 0.71 H new ATOM 0 HB1 ALA A 40 -8.246 -7.388 3.365 1.00 0.92 H new ATOM 0 HB2 ALA A 40 -6.749 -8.183 3.908 1.00 0.92 H new ATOM 0 HB3 ALA A 40 -6.985 -7.813 2.183 1.00 0.92 H new ATOM 592 N GLU A 41 -10.395 -8.883 2.229 1.00 0.67 N ATOM 593 CA GLU A 41 -11.562 -8.684 1.373 1.00 0.83 C ATOM 594 C GLU A 41 -11.591 -7.228 0.893 1.00 0.80 C ATOM 595 O GLU A 41 -11.291 -6.919 -0.261 1.00 1.07 O ATOM 596 CB GLU A 41 -12.807 -9.089 2.189 1.00 0.98 C ATOM 597 CG GLU A 41 -14.092 -9.204 1.368 1.00 1.28 C ATOM 598 CD GLU A 41 -13.979 -10.353 0.372 1.00 2.06 C ATOM 599 OE1 GLU A 41 -13.501 -10.111 -0.758 1.00 3.01 O ATOM 600 OE2 GLU A 41 -14.174 -11.523 0.765 1.00 2.68 O ATOM 0 H GLU A 41 -10.552 -8.571 3.187 1.00 0.67 H new ATOM 0 HA GLU A 41 -11.532 -9.301 0.475 1.00 0.83 H new ATOM 0 HB2 GLU A 41 -12.613 -10.046 2.673 1.00 0.98 H new ATOM 0 HB3 GLU A 41 -12.961 -8.356 2.981 1.00 0.98 H new ATOM 0 HG2 GLU A 41 -14.942 -9.369 2.030 1.00 1.28 H new ATOM 0 HG3 GLU A 41 -14.278 -8.270 0.838 1.00 1.28 H new ATOM 607 N ARG A 42 -11.844 -6.294 1.813 1.00 0.70 N ATOM 608 CA ARG A 42 -11.728 -4.870 1.530 1.00 0.76 C ATOM 609 C ARG A 42 -10.258 -4.444 1.651 1.00 0.68 C ATOM 610 O ARG A 42 -9.710 -4.393 2.751 1.00 0.99 O ATOM 611 CB ARG A 42 -12.651 -4.079 2.469 1.00 0.92 C ATOM 612 CG ARG A 42 -12.795 -2.626 1.998 1.00 1.21 C ATOM 613 CD ARG A 42 -13.171 -1.658 3.119 1.00 1.50 C ATOM 614 NE ARG A 42 -14.518 -1.867 3.680 1.00 1.87 N ATOM 615 CZ ARG A 42 -15.052 -1.067 4.604 1.00 2.70 C ATOM 616 NH1 ARG A 42 -14.387 -0.053 5.119 1.00 3.31 N ATOM 617 NH2 ARG A 42 -16.283 -1.259 5.030 1.00 3.63 N ATOM 0 H ARG A 42 -12.133 -6.506 2.768 1.00 0.70 H new ATOM 0 HA ARG A 42 -12.047 -4.656 0.510 1.00 0.76 H new ATOM 0 HB2 ARG A 42 -13.632 -4.553 2.505 1.00 0.92 H new ATOM 0 HB3 ARG A 42 -12.250 -4.099 3.482 1.00 0.92 H new ATOM 0 HG2 ARG A 42 -11.856 -2.303 1.549 1.00 1.21 H new ATOM 0 HG3 ARG A 42 -13.554 -2.579 1.217 1.00 1.21 H new ATOM 0 HD2 ARG A 42 -12.439 -1.749 3.921 1.00 1.50 H new ATOM 0 HD3 ARG A 42 -13.103 -0.638 2.740 1.00 1.50 H new ATOM 0 HE ARG A 42 -15.067 -2.659 3.346 1.00 1.87 H new ATOM 0 HH11 ARG A 42 -13.433 0.140 4.813 1.00 3.31 H new ATOM 0 HH12 ARG A 42 -14.826 0.539 5.824 1.00 3.31 H new ATOM 0 HH21 ARG A 42 -16.839 -2.026 4.653 1.00 3.63 H new ATOM 0 HH22 ARG A 42 -16.680 -0.640 5.737 1.00 3.63 H new ATOM 631 N VAL A 43 -9.650 -4.088 0.523 1.00 0.61 N ATOM 632 CA VAL A 43 -8.504 -3.161 0.447 1.00 0.56 C ATOM 633 C VAL A 43 -9.018 -1.714 0.417 1.00 0.69 C ATOM 634 O VAL A 43 -10.045 -1.436 -0.203 1.00 1.10 O ATOM 635 CB VAL A 43 -7.619 -3.435 -0.798 1.00 1.03 C ATOM 636 CG1 VAL A 43 -8.394 -3.290 -2.127 1.00 1.47 C ATOM 637 CG2 VAL A 43 -6.371 -2.529 -0.813 1.00 1.12 C ATOM 0 H VAL A 43 -9.940 -4.439 -0.390 1.00 0.61 H new ATOM 0 HA VAL A 43 -7.884 -3.319 1.330 1.00 0.56 H new ATOM 0 HB VAL A 43 -7.301 -4.474 -0.716 1.00 1.03 H new ATOM 0 HG11 VAL A 43 -7.724 -3.493 -2.963 1.00 1.47 H new ATOM 0 HG12 VAL A 43 -9.222 -3.999 -2.145 1.00 1.47 H new ATOM 0 HG13 VAL A 43 -8.783 -2.275 -2.212 1.00 1.47 H new ATOM 0 HG21 VAL A 43 -5.774 -2.747 -1.698 1.00 1.12 H new ATOM 0 HG22 VAL A 43 -6.680 -1.484 -0.833 1.00 1.12 H new ATOM 0 HG23 VAL A 43 -5.776 -2.715 0.081 1.00 1.12 H new ATOM 647 N GLU A 44 -8.274 -0.789 1.024 1.00 0.56 N ATOM 648 CA GLU A 44 -8.379 0.660 0.818 1.00 0.56 C ATOM 649 C GLU A 44 -6.957 1.246 0.725 1.00 0.50 C ATOM 650 O GLU A 44 -6.186 1.085 1.668 1.00 0.54 O ATOM 651 CB GLU A 44 -9.107 1.324 2.008 1.00 0.61 C ATOM 652 CG GLU A 44 -10.563 0.881 2.232 1.00 0.77 C ATOM 653 CD GLU A 44 -11.205 1.548 3.458 1.00 1.13 C ATOM 654 OE1 GLU A 44 -10.914 2.736 3.720 1.00 2.14 O ATOM 655 OE2 GLU A 44 -12.022 0.864 4.123 1.00 1.85 O ATOM 0 H GLU A 44 -7.552 -1.036 1.700 1.00 0.56 H new ATOM 0 HA GLU A 44 -8.941 0.851 -0.096 1.00 0.56 H new ATOM 0 HB2 GLU A 44 -8.541 1.119 2.916 1.00 0.61 H new ATOM 0 HB3 GLU A 44 -9.094 2.404 1.861 1.00 0.61 H new ATOM 0 HG2 GLU A 44 -11.151 1.118 1.345 1.00 0.77 H new ATOM 0 HG3 GLU A 44 -10.594 -0.202 2.355 1.00 0.77 H new ATOM 662 N LEU A 45 -6.566 1.945 -0.357 1.00 0.49 N ATOM 663 CA LEU A 45 -5.334 2.725 -0.330 1.00 0.49 C ATOM 664 C LEU A 45 -5.562 4.040 0.419 1.00 0.46 C ATOM 665 O LEU A 45 -6.383 4.878 0.033 1.00 0.48 O ATOM 666 CB LEU A 45 -4.788 2.920 -1.750 1.00 0.55 C ATOM 667 CG LEU A 45 -3.303 3.334 -1.711 1.00 0.58 C ATOM 668 CD1 LEU A 45 -2.620 2.913 -3.001 1.00 0.57 C ATOM 669 CD2 LEU A 45 -3.077 4.842 -1.605 1.00 0.68 C ATOM 0 H LEU A 45 -7.078 1.981 -1.238 1.00 0.49 H new ATOM 0 HA LEU A 45 -4.565 2.181 0.218 1.00 0.49 H new ATOM 0 HB2 LEU A 45 -4.898 1.996 -2.317 1.00 0.55 H new ATOM 0 HB3 LEU A 45 -5.370 3.683 -2.267 1.00 0.55 H new ATOM 0 HG LEU A 45 -2.900 2.848 -0.823 1.00 0.58 H new ATOM 0 HD11 LEU A 45 -1.571 3.207 -2.970 1.00 0.57 H new ATOM 0 HD12 LEU A 45 -2.690 1.831 -3.114 1.00 0.57 H new ATOM 0 HD13 LEU A 45 -3.108 3.398 -3.846 1.00 0.57 H new ATOM 0 HD21 LEU A 45 -2.007 5.049 -1.583 1.00 0.68 H new ATOM 0 HD22 LEU A 45 -3.525 5.338 -2.466 1.00 0.68 H new ATOM 0 HD23 LEU A 45 -3.537 5.216 -0.690 1.00 0.68 H new ATOM 681 N HIS A 46 -4.799 4.207 1.494 1.00 0.44 N ATOM 682 CA HIS A 46 -4.762 5.385 2.352 1.00 0.44 C ATOM 683 C HIS A 46 -3.450 6.186 2.190 1.00 0.44 C ATOM 684 O HIS A 46 -2.394 5.671 1.808 1.00 0.44 O ATOM 685 CB HIS A 46 -4.948 4.963 3.826 1.00 0.48 C ATOM 686 CG HIS A 46 -6.337 4.606 4.315 1.00 0.49 C ATOM 687 ND1 HIS A 46 -6.761 4.767 5.638 1.00 0.56 N ATOM 688 CD2 HIS A 46 -7.381 4.094 3.599 1.00 0.51 C ATOM 689 CE1 HIS A 46 -8.017 4.294 5.690 1.00 0.59 C ATOM 690 NE2 HIS A 46 -8.418 3.877 4.480 1.00 0.56 N ATOM 0 H HIS A 46 -4.153 3.482 1.807 1.00 0.44 H new ATOM 0 HA HIS A 46 -5.579 6.039 2.049 1.00 0.44 H new ATOM 0 HB2 HIS A 46 -4.304 4.103 4.006 1.00 0.48 H new ATOM 0 HB3 HIS A 46 -4.577 5.775 4.451 1.00 0.48 H new ATOM 0 HD2 HIS A 46 -7.392 3.896 2.537 1.00 0.51 H new ATOM 0 HE1 HIS A 46 -8.622 4.255 6.584 1.00 0.59 H new ATOM 0 HE2 HIS A 46 -9.326 3.472 4.253 1.00 0.56 H new ATOM 698 N GLU A 47 -3.529 7.462 2.542 1.00 0.45 N ATOM 699 CA GLU A 47 -2.373 8.300 2.855 1.00 0.45 C ATOM 700 C GLU A 47 -2.261 8.506 4.371 1.00 0.50 C ATOM 701 O GLU A 47 -3.221 8.247 5.102 1.00 0.73 O ATOM 702 CB GLU A 47 -2.450 9.634 2.107 1.00 0.60 C ATOM 703 CG GLU A 47 -3.592 10.500 2.618 1.00 0.68 C ATOM 704 CD GLU A 47 -3.594 11.844 1.922 1.00 1.12 C ATOM 705 OE1 GLU A 47 -3.876 11.861 0.708 1.00 2.37 O ATOM 706 OE2 GLU A 47 -3.539 12.877 2.613 1.00 1.78 O ATOM 0 H GLU A 47 -4.417 7.957 2.620 1.00 0.45 H new ATOM 0 HA GLU A 47 -1.469 7.792 2.519 1.00 0.45 H new ATOM 0 HB2 GLU A 47 -1.508 10.170 2.221 1.00 0.60 H new ATOM 0 HB3 GLU A 47 -2.584 9.447 1.042 1.00 0.60 H new ATOM 0 HG2 GLU A 47 -4.543 9.995 2.448 1.00 0.68 H new ATOM 0 HG3 GLU A 47 -3.495 10.642 3.694 1.00 0.68 H new ATOM 713 N THR A 48 -1.120 9.044 4.815 1.00 0.64 N ATOM 714 CA THR A 48 -0.877 9.508 6.187 1.00 0.76 C ATOM 715 C THR A 48 -0.303 10.917 6.094 1.00 0.86 C ATOM 716 O THR A 48 0.848 11.072 5.684 1.00 1.02 O ATOM 717 CB THR A 48 0.112 8.595 6.916 1.00 0.95 C ATOM 718 OG1 THR A 48 -0.257 7.241 6.846 1.00 1.00 O ATOM 719 CG2 THR A 48 0.239 8.976 8.392 1.00 1.13 C ATOM 0 H THR A 48 -0.311 9.173 4.208 1.00 0.64 H new ATOM 0 HA THR A 48 -1.809 9.495 6.751 1.00 0.76 H new ATOM 0 HB THR A 48 1.067 8.732 6.408 1.00 0.95 H new ATOM 0 HG1 THR A 48 0.531 6.679 6.998 1.00 1.00 H new ATOM 0 HG21 THR A 48 0.949 8.308 8.880 1.00 1.13 H new ATOM 0 HG22 THR A 48 0.593 10.004 8.473 1.00 1.13 H new ATOM 0 HG23 THR A 48 -0.734 8.888 8.876 1.00 1.13 H new ATOM 727 N PHE A 49 -1.092 11.929 6.450 1.00 1.00 N ATOM 728 CA PHE A 49 -0.773 13.347 6.260 1.00 1.08 C ATOM 729 C PHE A 49 -0.568 14.085 7.587 1.00 1.07 C ATOM 730 O PHE A 49 -1.127 13.722 8.620 1.00 1.15 O ATOM 731 CB PHE A 49 -1.884 14.024 5.440 1.00 1.12 C ATOM 732 CG PHE A 49 -3.271 13.984 6.062 1.00 1.10 C ATOM 733 CD1 PHE A 49 -4.072 12.842 5.896 1.00 2.23 C ATOM 734 CD2 PHE A 49 -3.760 15.062 6.828 1.00 2.06 C ATOM 735 CE1 PHE A 49 -5.345 12.773 6.476 1.00 2.33 C ATOM 736 CE2 PHE A 49 -5.049 15.003 7.392 1.00 2.09 C ATOM 737 CZ PHE A 49 -5.844 13.864 7.194 1.00 1.36 C ATOM 0 H PHE A 49 -1.999 11.783 6.892 1.00 1.00 H new ATOM 0 HA PHE A 49 0.171 13.400 5.718 1.00 1.08 H new ATOM 0 HB2 PHE A 49 -1.608 15.066 5.276 1.00 1.12 H new ATOM 0 HB3 PHE A 49 -1.930 13.549 4.460 1.00 1.12 H new ATOM 0 HD1 PHE A 49 -3.703 12.009 5.316 1.00 2.23 H new ATOM 0 HD2 PHE A 49 -3.144 15.936 6.983 1.00 2.06 H new ATOM 0 HE1 PHE A 49 -5.940 11.878 6.369 1.00 2.33 H new ATOM 0 HE2 PHE A 49 -5.424 15.831 7.975 1.00 2.09 H new ATOM 0 HZ PHE A 49 -6.845 13.830 7.598 1.00 1.36 H new ATOM 747 N MET A 50 0.202 15.177 7.544 1.00 1.13 N ATOM 748 CA MET A 50 0.402 16.106 8.670 1.00 1.14 C ATOM 749 C MET A 50 -0.625 17.250 8.673 1.00 1.17 C ATOM 750 O MET A 50 -1.160 17.616 7.625 1.00 1.58 O ATOM 751 CB MET A 50 1.841 16.649 8.664 1.00 1.35 C ATOM 752 CG MET A 50 2.191 17.439 7.395 1.00 2.21 C ATOM 753 SD MET A 50 3.841 18.171 7.451 1.00 2.77 S ATOM 754 CE MET A 50 3.949 18.742 5.736 1.00 3.31 C ATOM 0 H MET A 50 0.717 15.449 6.707 1.00 1.13 H new ATOM 0 HA MET A 50 0.244 15.545 9.591 1.00 1.14 H new ATOM 0 HB2 MET A 50 1.982 17.291 9.533 1.00 1.35 H new ATOM 0 HB3 MET A 50 2.536 15.816 8.767 1.00 1.35 H new ATOM 0 HG2 MET A 50 2.122 16.777 6.531 1.00 2.21 H new ATOM 0 HG3 MET A 50 1.454 18.229 7.251 1.00 2.21 H new ATOM 0 HE1 MET A 50 4.911 19.228 5.574 1.00 3.31 H new ATOM 0 HE2 MET A 50 3.855 17.890 5.062 1.00 3.31 H new ATOM 0 HE3 MET A 50 3.146 19.452 5.538 1.00 3.31 H new ATOM 764 N ARG A 51 -0.895 17.824 9.851 1.00 1.22 N ATOM 765 CA ARG A 51 -1.803 18.959 10.046 1.00 1.36 C ATOM 766 C ARG A 51 -1.670 19.609 11.429 1.00 1.44 C ATOM 767 O ARG A 51 -1.067 19.053 12.355 1.00 1.51 O ATOM 768 CB ARG A 51 -3.255 18.526 9.737 1.00 1.47 C ATOM 769 CG ARG A 51 -3.886 19.425 8.662 1.00 2.21 C ATOM 770 CD ARG A 51 -4.985 18.654 7.937 1.00 2.49 C ATOM 771 NE ARG A 51 -5.612 19.465 6.878 1.00 3.55 N ATOM 772 CZ ARG A 51 -5.944 19.064 5.653 1.00 4.49 C ATOM 773 NH1 ARG A 51 -5.734 17.829 5.238 1.00 4.77 N ATOM 774 NH2 ARG A 51 -6.498 19.919 4.822 1.00 5.59 N ATOM 0 H ARG A 51 -0.474 17.501 10.722 1.00 1.22 H new ATOM 0 HA ARG A 51 -1.514 19.739 9.342 1.00 1.36 H new ATOM 0 HB2 ARG A 51 -3.264 17.490 9.399 1.00 1.47 H new ATOM 0 HB3 ARG A 51 -3.852 18.570 10.648 1.00 1.47 H new ATOM 0 HG2 ARG A 51 -4.299 20.324 9.120 1.00 2.21 H new ATOM 0 HG3 ARG A 51 -3.126 19.750 7.952 1.00 2.21 H new ATOM 0 HD2 ARG A 51 -4.566 17.747 7.501 1.00 2.49 H new ATOM 0 HD3 ARG A 51 -5.744 18.342 8.654 1.00 2.49 H new ATOM 0 HE ARG A 51 -5.813 20.438 7.109 1.00 3.55 H new ATOM 0 HH11 ARG A 51 -5.304 17.147 5.863 1.00 4.77 H new ATOM 0 HH12 ARG A 51 -6.001 17.556 4.292 1.00 4.77 H new ATOM 0 HH21 ARG A 51 -6.670 20.880 5.118 1.00 5.59 H new ATOM 0 HH22 ARG A 51 -6.756 19.622 3.881 1.00 5.59 H new ATOM 788 N GLU A 52 -2.273 20.788 11.562 1.00 1.53 N ATOM 789 CA GLU A 52 -2.309 21.573 12.787 1.00 1.61 C ATOM 790 C GLU A 52 -3.702 22.170 12.968 1.00 1.51 C ATOM 791 O GLU A 52 -4.333 22.565 11.989 1.00 1.86 O ATOM 792 CB GLU A 52 -1.228 22.670 12.737 1.00 2.21 C ATOM 793 CG GLU A 52 -0.648 22.914 14.121 1.00 3.05 C ATOM 794 CD GLU A 52 0.709 23.590 14.051 1.00 3.76 C ATOM 795 OE1 GLU A 52 1.673 22.920 13.633 1.00 4.08 O ATOM 796 OE2 GLU A 52 0.860 24.685 14.624 1.00 4.82 O ATOM 0 H GLU A 52 -2.767 21.236 10.790 1.00 1.53 H new ATOM 0 HA GLU A 52 -2.098 20.934 13.644 1.00 1.61 H new ATOM 0 HB2 GLU A 52 -0.434 22.375 12.051 1.00 2.21 H new ATOM 0 HB3 GLU A 52 -1.657 23.594 12.349 1.00 2.21 H new ATOM 0 HG2 GLU A 52 -1.334 23.534 14.699 1.00 3.05 H new ATOM 0 HG3 GLU A 52 -0.555 21.965 14.649 1.00 3.05 H new ATOM 803 N VAL A 53 -4.176 22.219 14.212 1.00 1.45 N ATOM 804 CA VAL A 53 -5.478 22.786 14.584 1.00 1.72 C ATOM 805 C VAL A 53 -5.407 23.291 16.026 1.00 1.85 C ATOM 806 O VAL A 53 -4.891 22.585 16.887 1.00 3.10 O ATOM 807 CB VAL A 53 -6.626 21.794 14.316 1.00 2.09 C ATOM 808 CG1 VAL A 53 -6.544 20.571 15.225 1.00 1.82 C ATOM 809 CG2 VAL A 53 -7.998 22.472 14.445 1.00 3.83 C ATOM 0 H VAL A 53 -3.655 21.858 15.011 1.00 1.45 H new ATOM 0 HA VAL A 53 -5.709 23.644 13.952 1.00 1.72 H new ATOM 0 HB VAL A 53 -6.512 21.452 13.287 1.00 2.09 H new ATOM 0 HG11 VAL A 53 -7.372 19.897 15.004 1.00 1.82 H new ATOM 0 HG12 VAL A 53 -5.600 20.054 15.055 1.00 1.82 H new ATOM 0 HG13 VAL A 53 -6.602 20.887 16.266 1.00 1.82 H new ATOM 0 HG21 VAL A 53 -8.784 21.743 14.249 1.00 3.83 H new ATOM 0 HG22 VAL A 53 -8.114 22.869 15.453 1.00 3.83 H new ATOM 0 HG23 VAL A 53 -8.071 23.286 13.724 1.00 3.83 H new ATOM 819 N GLU A 54 -5.804 24.549 16.261 1.00 1.94 N ATOM 820 CA GLU A 54 -5.567 25.261 17.534 1.00 1.89 C ATOM 821 C GLU A 54 -4.049 25.291 17.883 1.00 1.77 C ATOM 822 O GLU A 54 -3.643 25.246 19.042 1.00 2.01 O ATOM 823 CB GLU A 54 -6.499 24.671 18.621 1.00 2.18 C ATOM 824 CG GLU A 54 -6.927 25.636 19.744 1.00 2.96 C ATOM 825 CD GLU A 54 -6.185 25.397 21.056 1.00 3.27 C ATOM 826 OE1 GLU A 54 -6.209 24.261 21.572 1.00 3.23 O ATOM 827 OE2 GLU A 54 -5.486 26.317 21.533 1.00 4.17 O ATOM 0 H GLU A 54 -6.303 25.110 15.570 1.00 1.94 H new ATOM 0 HA GLU A 54 -5.832 26.315 17.453 1.00 1.89 H new ATOM 0 HB2 GLU A 54 -7.397 24.292 18.134 1.00 2.18 H new ATOM 0 HB3 GLU A 54 -5.998 23.816 19.076 1.00 2.18 H new ATOM 0 HG2 GLU A 54 -6.755 26.662 19.418 1.00 2.96 H new ATOM 0 HG3 GLU A 54 -7.998 25.532 19.916 1.00 2.96 H new ATOM 834 N GLY A 55 -3.186 25.253 16.852 1.00 1.84 N ATOM 835 CA GLY A 55 -1.718 25.132 16.940 1.00 2.27 C ATOM 836 C GLY A 55 -1.208 23.778 17.457 1.00 2.50 C ATOM 837 O GLY A 55 0.002 23.549 17.544 1.00 3.20 O ATOM 0 H GLY A 55 -3.509 25.309 15.886 1.00 1.84 H new ATOM 0 HA2 GLY A 55 -1.294 25.310 15.952 1.00 2.27 H new ATOM 0 HA3 GLY A 55 -1.342 25.919 17.594 1.00 2.27 H new ATOM 841 N LYS A 56 -2.113 22.849 17.784 1.00 2.23 N ATOM 842 CA LYS A 56 -1.813 21.486 18.189 1.00 2.72 C ATOM 843 C LYS A 56 -1.495 20.657 16.937 1.00 2.40 C ATOM 844 O LYS A 56 -2.252 20.661 15.963 1.00 1.82 O ATOM 845 CB LYS A 56 -3.002 20.911 18.975 1.00 2.95 C ATOM 846 CG LYS A 56 -3.621 21.816 20.061 1.00 3.42 C ATOM 847 CD LYS A 56 -2.656 22.250 21.178 1.00 2.83 C ATOM 848 CE LYS A 56 -3.383 23.158 22.185 1.00 3.14 C ATOM 849 NZ LYS A 56 -3.441 24.569 21.737 1.00 3.22 N ATOM 0 H LYS A 56 -3.114 23.042 17.771 1.00 2.23 H new ATOM 0 HA LYS A 56 -0.943 21.459 18.845 1.00 2.72 H new ATOM 0 HB2 LYS A 56 -3.785 20.650 18.263 1.00 2.95 H new ATOM 0 HB3 LYS A 56 -2.680 19.984 19.449 1.00 2.95 H new ATOM 0 HG2 LYS A 56 -4.023 22.709 19.582 1.00 3.42 H new ATOM 0 HG3 LYS A 56 -4.462 21.291 20.513 1.00 3.42 H new ATOM 0 HD2 LYS A 56 -2.261 21.372 21.689 1.00 2.83 H new ATOM 0 HD3 LYS A 56 -1.805 22.779 20.748 1.00 2.83 H new ATOM 0 HE2 LYS A 56 -4.396 22.787 22.338 1.00 3.14 H new ATOM 0 HE3 LYS A 56 -2.875 23.106 23.148 1.00 3.14 H new ATOM 0 HZ1 LYS A 56 -4.254 25.041 22.181 1.00 3.22 H new ATOM 0 HZ2 LYS A 56 -2.565 25.057 22.012 1.00 3.22 H new ATOM 0 HZ3 LYS A 56 -3.545 24.601 20.703 1.00 3.22 H new ATOM 863 N LYS A 57 -0.334 20.002 16.947 1.00 2.75 N ATOM 864 CA LYS A 57 0.350 19.461 15.760 1.00 2.36 C ATOM 865 C LYS A 57 0.209 17.930 15.699 1.00 1.97 C ATOM 866 O LYS A 57 0.470 17.255 16.691 1.00 2.26 O ATOM 867 CB LYS A 57 1.819 19.961 15.694 1.00 2.81 C ATOM 868 CG LYS A 57 2.382 20.672 16.951 1.00 4.18 C ATOM 869 CD LYS A 57 3.753 21.342 16.742 1.00 4.79 C ATOM 870 CE LYS A 57 3.721 22.495 15.724 1.00 4.80 C ATOM 871 NZ LYS A 57 2.843 23.626 16.124 1.00 6.21 N ATOM 0 H LYS A 57 0.179 19.824 17.810 1.00 2.75 H new ATOM 0 HA LYS A 57 -0.134 19.841 14.861 1.00 2.36 H new ATOM 0 HB2 LYS A 57 2.458 19.105 15.475 1.00 2.81 H new ATOM 0 HB3 LYS A 57 1.905 20.647 14.851 1.00 2.81 H new ATOM 0 HG2 LYS A 57 1.668 21.428 17.277 1.00 4.18 H new ATOM 0 HG3 LYS A 57 2.466 19.944 17.758 1.00 4.18 H new ATOM 0 HD2 LYS A 57 4.113 21.721 17.698 1.00 4.79 H new ATOM 0 HD3 LYS A 57 4.469 20.591 16.407 1.00 4.79 H new ATOM 0 HE2 LYS A 57 4.735 22.868 15.580 1.00 4.80 H new ATOM 0 HE3 LYS A 57 3.384 22.108 14.762 1.00 4.80 H new ATOM 0 HZ1 LYS A 57 2.696 24.256 15.310 1.00 6.21 H new ATOM 0 HZ2 LYS A 57 1.926 23.256 16.446 1.00 6.21 H new ATOM 0 HZ3 LYS A 57 3.292 24.158 16.896 1.00 6.21 H new ATOM 885 N VAL A 58 -0.269 17.412 14.563 1.00 1.52 N ATOM 886 CA VAL A 58 -0.929 16.096 14.446 1.00 1.26 C ATOM 887 C VAL A 58 -0.599 15.444 13.093 1.00 1.09 C ATOM 888 O VAL A 58 -0.361 16.139 12.106 1.00 1.22 O ATOM 889 CB VAL A 58 -2.467 16.269 14.606 1.00 1.13 C ATOM 890 CG1 VAL A 58 -3.286 14.993 14.346 1.00 1.59 C ATOM 891 CG2 VAL A 58 -2.847 16.793 16.004 1.00 1.55 C ATOM 0 H VAL A 58 -0.209 17.905 13.672 1.00 1.52 H new ATOM 0 HA VAL A 58 -0.559 15.442 15.235 1.00 1.26 H new ATOM 0 HB VAL A 58 -2.721 16.997 13.835 1.00 1.13 H new ATOM 0 HG11 VAL A 58 -4.346 15.207 14.480 1.00 1.59 H new ATOM 0 HG12 VAL A 58 -3.112 14.650 13.326 1.00 1.59 H new ATOM 0 HG13 VAL A 58 -2.981 14.216 15.047 1.00 1.59 H new ATOM 0 HG21 VAL A 58 -3.930 16.899 16.071 1.00 1.55 H new ATOM 0 HG22 VAL A 58 -2.503 16.089 16.762 1.00 1.55 H new ATOM 0 HG23 VAL A 58 -2.377 17.762 16.169 1.00 1.55 H new ATOM 901 N MET A 59 -0.629 14.109 13.032 1.00 1.08 N ATOM 902 CA MET A 59 -0.739 13.336 11.784 1.00 0.98 C ATOM 903 C MET A 59 -1.992 12.452 11.811 1.00 0.96 C ATOM 904 O MET A 59 -2.401 12.016 12.884 1.00 1.20 O ATOM 905 CB MET A 59 0.513 12.481 11.557 1.00 1.16 C ATOM 906 CG MET A 59 1.662 13.349 11.029 1.00 1.96 C ATOM 907 SD MET A 59 3.311 12.657 11.277 1.00 2.76 S ATOM 908 CE MET A 59 3.426 12.952 13.059 1.00 2.84 C ATOM 0 H MET A 59 -0.577 13.521 13.864 1.00 1.08 H new ATOM 0 HA MET A 59 -0.825 14.039 10.956 1.00 0.98 H new ATOM 0 HB2 MET A 59 0.809 12.003 12.491 1.00 1.16 H new ATOM 0 HB3 MET A 59 0.294 11.684 10.846 1.00 1.16 H new ATOM 0 HG2 MET A 59 1.511 13.517 9.963 1.00 1.96 H new ATOM 0 HG3 MET A 59 1.615 14.323 11.515 1.00 1.96 H new ATOM 0 HE1 MET A 59 4.244 13.643 13.261 1.00 2.84 H new ATOM 0 HE2 MET A 59 2.491 13.382 13.418 1.00 2.84 H new ATOM 0 HE3 MET A 59 3.613 12.009 13.573 1.00 2.84 H new ATOM 918 N GLY A 60 -2.593 12.185 10.649 1.00 0.90 N ATOM 919 CA GLY A 60 -3.781 11.332 10.518 1.00 0.95 C ATOM 920 C GLY A 60 -3.838 10.603 9.181 1.00 0.86 C ATOM 921 O GLY A 60 -3.211 11.027 8.214 1.00 1.14 O ATOM 0 H GLY A 60 -2.265 12.560 9.759 1.00 0.90 H new ATOM 0 HA2 GLY A 60 -3.789 10.601 11.326 1.00 0.95 H new ATOM 0 HA3 GLY A 60 -4.676 11.943 10.632 1.00 0.95 H new ATOM 925 N MET A 61 -4.597 9.508 9.130 1.00 0.76 N ATOM 926 CA MET A 61 -4.770 8.668 7.936 1.00 0.68 C ATOM 927 C MET A 61 -6.118 8.924 7.246 1.00 0.63 C ATOM 928 O MET A 61 -7.080 9.331 7.900 1.00 0.76 O ATOM 929 CB MET A 61 -4.644 7.176 8.298 1.00 0.85 C ATOM 930 CG MET A 61 -3.283 6.803 8.905 1.00 1.01 C ATOM 931 SD MET A 61 -3.064 7.202 10.662 1.00 1.56 S ATOM 932 CE MET A 61 -1.426 6.479 10.900 1.00 1.63 C ATOM 0 H MET A 61 -5.123 9.169 9.936 1.00 0.76 H new ATOM 0 HA MET A 61 -3.978 8.937 7.238 1.00 0.68 H new ATOM 0 HB2 MET A 61 -5.432 6.915 9.005 1.00 0.85 H new ATOM 0 HB3 MET A 61 -4.809 6.578 7.402 1.00 0.85 H new ATOM 0 HG2 MET A 61 -3.129 5.732 8.773 1.00 1.01 H new ATOM 0 HG3 MET A 61 -2.502 7.309 8.337 1.00 1.01 H new ATOM 0 HE1 MET A 61 -1.111 6.624 11.933 1.00 1.63 H new ATOM 0 HE2 MET A 61 -1.463 5.412 10.678 1.00 1.63 H new ATOM 0 HE3 MET A 61 -0.714 6.964 10.232 1.00 1.63 H new ATOM 942 N ARG A 62 -6.209 8.640 5.940 1.00 0.56 N ATOM 943 CA ARG A 62 -7.468 8.660 5.167 1.00 0.55 C ATOM 944 C ARG A 62 -7.338 7.923 3.822 1.00 0.52 C ATOM 945 O ARG A 62 -6.277 8.042 3.203 1.00 0.53 O ATOM 946 CB ARG A 62 -7.996 10.105 4.976 1.00 0.68 C ATOM 947 CG ARG A 62 -7.128 11.059 4.125 1.00 1.98 C ATOM 948 CD ARG A 62 -7.516 11.056 2.646 1.00 2.85 C ATOM 949 NE ARG A 62 -6.640 11.912 1.831 1.00 3.75 N ATOM 950 CZ ARG A 62 -6.870 13.113 1.328 1.00 4.24 C ATOM 951 NH1 ARG A 62 -8.035 13.719 1.442 1.00 3.98 N ATOM 952 NH2 ARG A 62 -5.897 13.705 0.678 1.00 5.67 N ATOM 0 H ARG A 62 -5.398 8.385 5.377 1.00 0.56 H new ATOM 0 HA ARG A 62 -8.207 8.115 5.754 1.00 0.55 H new ATOM 0 HB2 ARG A 62 -8.984 10.048 4.520 1.00 0.68 H new ATOM 0 HB3 ARG A 62 -8.125 10.552 5.962 1.00 0.68 H new ATOM 0 HG2 ARG A 62 -7.219 12.072 4.517 1.00 1.98 H new ATOM 0 HG3 ARG A 62 -6.081 10.773 4.221 1.00 1.98 H new ATOM 0 HD2 ARG A 62 -7.477 10.035 2.266 1.00 2.85 H new ATOM 0 HD3 ARG A 62 -8.547 11.395 2.544 1.00 2.85 H new ATOM 0 HE ARG A 62 -5.721 11.522 1.624 1.00 3.75 H new ATOM 0 HH11 ARG A 62 -8.802 13.261 1.934 1.00 3.98 H new ATOM 0 HH12 ARG A 62 -8.169 14.646 1.039 1.00 3.98 H new ATOM 0 HH21 ARG A 62 -4.996 13.239 0.573 1.00 5.67 H new ATOM 0 HH22 ARG A 62 -6.041 14.632 0.277 1.00 5.67 H new ATOM 966 N PRO A 63 -8.396 7.254 3.312 1.00 0.52 N ATOM 967 CA PRO A 63 -8.398 6.679 1.971 1.00 0.50 C ATOM 968 C PRO A 63 -8.393 7.766 0.898 1.00 0.53 C ATOM 969 O PRO A 63 -9.053 8.797 1.039 1.00 0.64 O ATOM 970 CB PRO A 63 -9.623 5.776 1.856 1.00 0.53 C ATOM 971 CG PRO A 63 -10.554 6.304 2.933 1.00 0.64 C ATOM 972 CD PRO A 63 -9.667 6.995 3.969 1.00 0.56 C ATOM 0 HA PRO A 63 -7.492 6.095 1.811 1.00 0.50 H new ATOM 0 HB2 PRO A 63 -10.077 5.839 0.867 1.00 0.53 H new ATOM 0 HB3 PRO A 63 -9.368 4.730 2.024 1.00 0.53 H new ATOM 0 HG2 PRO A 63 -11.277 7.003 2.513 1.00 0.64 H new ATOM 0 HG3 PRO A 63 -11.122 5.492 3.387 1.00 0.64 H new ATOM 0 HD2 PRO A 63 -10.123 7.923 4.313 1.00 0.56 H new ATOM 0 HD3 PRO A 63 -9.529 6.363 4.846 1.00 0.56 H new ATOM 980 N VAL A 64 -7.655 7.501 -0.178 1.00 0.47 N ATOM 981 CA VAL A 64 -7.568 8.347 -1.379 1.00 0.49 C ATOM 982 C VAL A 64 -8.242 7.664 -2.575 1.00 0.48 C ATOM 983 O VAL A 64 -8.345 6.435 -2.586 1.00 0.50 O ATOM 984 CB VAL A 64 -6.105 8.682 -1.745 1.00 0.55 C ATOM 985 CG1 VAL A 64 -5.557 9.747 -0.794 1.00 0.63 C ATOM 986 CG2 VAL A 64 -5.170 7.466 -1.741 1.00 0.72 C ATOM 0 H VAL A 64 -7.078 6.662 -0.246 1.00 0.47 H new ATOM 0 HA VAL A 64 -8.087 9.277 -1.147 1.00 0.49 H new ATOM 0 HB VAL A 64 -6.130 9.054 -2.769 1.00 0.55 H new ATOM 0 HG11 VAL A 64 -4.525 9.976 -1.060 1.00 0.63 H new ATOM 0 HG12 VAL A 64 -6.161 10.651 -0.873 1.00 0.63 H new ATOM 0 HG13 VAL A 64 -5.593 9.374 0.230 1.00 0.63 H new ATOM 0 HG21 VAL A 64 -4.161 7.782 -2.007 1.00 0.72 H new ATOM 0 HG22 VAL A 64 -5.159 7.018 -0.747 1.00 0.72 H new ATOM 0 HG23 VAL A 64 -5.524 6.733 -2.466 1.00 0.72 H new ATOM 996 N PRO A 65 -8.670 8.423 -3.605 1.00 0.51 N ATOM 997 CA PRO A 65 -9.212 7.846 -4.829 1.00 0.54 C ATOM 998 C PRO A 65 -8.145 7.126 -5.670 1.00 0.50 C ATOM 999 O PRO A 65 -8.526 6.311 -6.503 1.00 0.52 O ATOM 1000 CB PRO A 65 -9.836 9.024 -5.585 1.00 0.62 C ATOM 1001 CG PRO A 65 -8.991 10.215 -5.140 1.00 0.61 C ATOM 1002 CD PRO A 65 -8.696 9.880 -3.679 1.00 0.56 C ATOM 0 HA PRO A 65 -9.945 7.071 -4.606 1.00 0.54 H new ATOM 0 HB2 PRO A 65 -9.790 8.879 -6.664 1.00 0.62 H new ATOM 0 HB3 PRO A 65 -10.886 9.157 -5.326 1.00 0.62 H new ATOM 0 HG2 PRO A 65 -8.078 10.308 -5.728 1.00 0.61 H new ATOM 0 HG3 PRO A 65 -9.531 11.156 -5.240 1.00 0.61 H new ATOM 0 HD2 PRO A 65 -7.743 10.305 -3.365 1.00 0.56 H new ATOM 0 HD3 PRO A 65 -9.461 10.292 -3.021 1.00 0.56 H new ATOM 1010 N PHE A 66 -6.844 7.398 -5.454 1.00 0.50 N ATOM 1011 CA PHE A 66 -5.710 6.804 -6.161 1.00 0.51 C ATOM 1012 C PHE A 66 -4.393 7.367 -5.611 1.00 0.53 C ATOM 1013 O PHE A 66 -4.359 8.392 -4.930 1.00 0.59 O ATOM 1014 CB PHE A 66 -5.796 6.992 -7.696 1.00 0.58 C ATOM 1015 CG PHE A 66 -5.880 8.428 -8.186 1.00 0.66 C ATOM 1016 CD1 PHE A 66 -4.711 9.181 -8.401 1.00 1.62 C ATOM 1017 CD2 PHE A 66 -7.135 9.006 -8.458 1.00 1.77 C ATOM 1018 CE1 PHE A 66 -4.792 10.504 -8.866 1.00 1.68 C ATOM 1019 CE2 PHE A 66 -7.220 10.331 -8.916 1.00 1.81 C ATOM 1020 CZ PHE A 66 -6.049 11.084 -9.117 1.00 0.88 C ATOM 0 H PHE A 66 -6.549 8.071 -4.747 1.00 0.50 H new ATOM 0 HA PHE A 66 -5.743 5.729 -5.982 1.00 0.51 H new ATOM 0 HB2 PHE A 66 -4.922 6.525 -8.149 1.00 0.58 H new ATOM 0 HB3 PHE A 66 -6.670 6.453 -8.060 1.00 0.58 H new ATOM 0 HD1 PHE A 66 -3.745 8.739 -8.207 1.00 1.62 H new ATOM 0 HD2 PHE A 66 -8.036 8.428 -8.314 1.00 1.77 H new ATOM 0 HE1 PHE A 66 -3.890 11.075 -9.031 1.00 1.68 H new ATOM 0 HE2 PHE A 66 -8.186 10.772 -9.114 1.00 1.81 H new ATOM 0 HZ PHE A 66 -6.115 12.105 -9.463 1.00 0.88 H new ATOM 1030 N LEU A 67 -3.305 6.706 -5.988 1.00 0.53 N ATOM 1031 CA LEU A 67 -1.947 7.231 -6.024 1.00 0.54 C ATOM 1032 C LEU A 67 -1.468 7.270 -7.481 1.00 0.52 C ATOM 1033 O LEU A 67 -2.087 6.658 -8.350 1.00 0.54 O ATOM 1034 CB LEU A 67 -1.038 6.307 -5.195 1.00 0.58 C ATOM 1035 CG LEU A 67 -0.456 6.966 -3.939 1.00 0.58 C ATOM 1036 CD1 LEU A 67 0.475 5.920 -3.309 1.00 0.99 C ATOM 1037 CD2 LEU A 67 0.379 8.217 -4.258 1.00 0.89 C ATOM 0 H LEU A 67 -3.350 5.734 -6.294 1.00 0.53 H new ATOM 0 HA LEU A 67 -1.915 8.238 -5.608 1.00 0.54 H new ATOM 0 HB2 LEU A 67 -1.607 5.425 -4.900 1.00 0.58 H new ATOM 0 HB3 LEU A 67 -0.218 5.961 -5.824 1.00 0.58 H new ATOM 0 HG LEU A 67 -1.271 7.281 -3.287 1.00 0.58 H new ATOM 0 HD11 LEU A 67 0.924 6.330 -2.404 1.00 0.99 H new ATOM 0 HD12 LEU A 67 -0.098 5.028 -3.057 1.00 0.99 H new ATOM 0 HD13 LEU A 67 1.261 5.658 -4.018 1.00 0.99 H new ATOM 0 HD21 LEU A 67 0.766 8.642 -3.332 1.00 0.89 H new ATOM 0 HD22 LEU A 67 1.211 7.943 -4.907 1.00 0.89 H new ATOM 0 HD23 LEU A 67 -0.247 8.954 -4.762 1.00 0.89 H new ATOM 1049 N GLU A 68 -0.320 7.884 -7.757 1.00 0.55 N ATOM 1050 CA GLU A 68 0.327 7.731 -9.062 1.00 0.63 C ATOM 1051 C GLU A 68 1.819 8.018 -9.032 1.00 0.63 C ATOM 1052 O GLU A 68 2.352 8.520 -8.045 1.00 0.64 O ATOM 1053 CB GLU A 68 -0.409 8.496 -10.172 1.00 0.85 C ATOM 1054 CG GLU A 68 -0.167 9.995 -10.299 1.00 1.04 C ATOM 1055 CD GLU A 68 -1.204 10.552 -11.285 1.00 1.33 C ATOM 1056 OE1 GLU A 68 -1.649 9.817 -12.197 1.00 2.52 O ATOM 1057 OE2 GLU A 68 -1.691 11.683 -11.086 1.00 1.52 O ATOM 0 H GLU A 68 0.179 8.487 -7.103 1.00 0.55 H new ATOM 0 HA GLU A 68 0.246 6.673 -9.313 1.00 0.63 H new ATOM 0 HB2 GLU A 68 -0.146 8.035 -11.124 1.00 0.85 H new ATOM 0 HB3 GLU A 68 -1.479 8.343 -10.028 1.00 0.85 H new ATOM 0 HG2 GLU A 68 -0.262 10.482 -9.328 1.00 1.04 H new ATOM 0 HG3 GLU A 68 0.844 10.191 -10.656 1.00 1.04 H new ATOM 1064 N VAL A 69 2.485 7.648 -10.123 1.00 0.67 N ATOM 1065 CA VAL A 69 3.934 7.670 -10.266 1.00 0.65 C ATOM 1066 C VAL A 69 4.299 8.166 -11.669 1.00 0.65 C ATOM 1067 O VAL A 69 3.695 7.698 -12.642 1.00 0.67 O ATOM 1068 CB VAL A 69 4.543 6.256 -10.064 1.00 0.69 C ATOM 1069 CG1 VAL A 69 6.045 6.355 -9.771 1.00 0.71 C ATOM 1070 CG2 VAL A 69 3.873 5.417 -8.959 1.00 0.79 C ATOM 0 H VAL A 69 2.011 7.313 -10.961 1.00 0.67 H new ATOM 0 HA VAL A 69 4.338 8.337 -9.504 1.00 0.65 H new ATOM 0 HB VAL A 69 4.359 5.736 -11.004 1.00 0.69 H new ATOM 0 HG11 VAL A 69 6.455 5.355 -9.632 1.00 0.71 H new ATOM 0 HG12 VAL A 69 6.548 6.841 -10.607 1.00 0.71 H new ATOM 0 HG13 VAL A 69 6.201 6.940 -8.865 1.00 0.71 H new ATOM 0 HG21 VAL A 69 4.364 4.446 -8.891 1.00 0.79 H new ATOM 0 HG22 VAL A 69 3.960 5.936 -8.005 1.00 0.79 H new ATOM 0 HG23 VAL A 69 2.819 5.274 -9.199 1.00 0.79 H new ATOM 1080 N PRO A 70 5.273 9.083 -11.808 1.00 0.67 N ATOM 1081 CA PRO A 70 5.741 9.525 -13.111 1.00 0.70 C ATOM 1082 C PRO A 70 6.618 8.457 -13.791 1.00 0.67 C ATOM 1083 O PRO A 70 7.098 7.535 -13.127 1.00 0.69 O ATOM 1084 CB PRO A 70 6.523 10.814 -12.841 1.00 0.80 C ATOM 1085 CG PRO A 70 7.081 10.594 -11.436 1.00 0.79 C ATOM 1086 CD PRO A 70 5.970 9.803 -10.748 1.00 0.71 C ATOM 0 HA PRO A 70 4.914 9.695 -13.800 1.00 0.70 H new ATOM 0 HB2 PRO A 70 7.318 10.963 -13.571 1.00 0.80 H new ATOM 0 HB3 PRO A 70 5.880 11.693 -12.886 1.00 0.80 H new ATOM 0 HG2 PRO A 70 8.019 10.039 -11.456 1.00 0.79 H new ATOM 0 HG3 PRO A 70 7.280 11.538 -10.928 1.00 0.79 H new ATOM 0 HD2 PRO A 70 6.381 9.112 -10.012 1.00 0.71 H new ATOM 0 HD3 PRO A 70 5.290 10.468 -10.216 1.00 0.71 H new ATOM 1094 N PRO A 71 6.856 8.587 -15.106 1.00 0.70 N ATOM 1095 CA PRO A 71 7.759 7.721 -15.858 1.00 0.70 C ATOM 1096 C PRO A 71 9.197 7.800 -15.333 1.00 0.73 C ATOM 1097 O PRO A 71 9.657 8.875 -14.953 1.00 0.80 O ATOM 1098 CB PRO A 71 7.628 8.177 -17.311 1.00 0.78 C ATOM 1099 CG PRO A 71 7.027 9.574 -17.267 1.00 0.84 C ATOM 1100 CD PRO A 71 6.239 9.583 -15.968 1.00 0.78 C ATOM 0 HA PRO A 71 7.498 6.668 -15.754 1.00 0.70 H new ATOM 0 HB2 PRO A 71 8.600 8.187 -17.805 1.00 0.78 H new ATOM 0 HB3 PRO A 71 6.991 7.497 -17.876 1.00 0.78 H new ATOM 0 HG2 PRO A 71 7.799 10.343 -17.273 1.00 0.84 H new ATOM 0 HG3 PRO A 71 6.384 9.761 -18.127 1.00 0.84 H new ATOM 0 HD2 PRO A 71 6.267 10.569 -15.504 1.00 0.78 H new ATOM 0 HD3 PRO A 71 5.191 9.345 -16.148 1.00 0.78 H new ATOM 1108 N LYS A 72 9.893 6.650 -15.263 1.00 0.76 N ATOM 1109 CA LYS A 72 11.229 6.465 -14.636 1.00 0.84 C ATOM 1110 C LYS A 72 11.275 6.697 -13.113 1.00 0.88 C ATOM 1111 O LYS A 72 12.311 6.566 -12.462 1.00 0.98 O ATOM 1112 CB LYS A 72 12.293 7.261 -15.400 1.00 0.90 C ATOM 1113 CG LYS A 72 12.874 6.443 -16.552 1.00 1.08 C ATOM 1114 CD LYS A 72 11.900 5.867 -17.597 1.00 1.04 C ATOM 1115 CE LYS A 72 11.189 6.962 -18.397 1.00 2.15 C ATOM 1116 NZ LYS A 72 11.972 7.377 -19.584 1.00 3.18 N ATOM 0 H LYS A 72 9.530 5.782 -15.657 1.00 0.76 H new ATOM 0 HA LYS A 72 11.462 5.404 -14.727 1.00 0.84 H new ATOM 0 HB2 LYS A 72 11.854 8.180 -15.788 1.00 0.90 H new ATOM 0 HB3 LYS A 72 13.092 7.552 -14.718 1.00 0.90 H new ATOM 0 HG2 LYS A 72 13.593 7.071 -17.077 1.00 1.08 H new ATOM 0 HG3 LYS A 72 13.432 5.611 -16.122 1.00 1.08 H new ATOM 0 HD2 LYS A 72 12.447 5.218 -18.281 1.00 1.04 H new ATOM 0 HD3 LYS A 72 11.157 5.247 -17.095 1.00 1.04 H new ATOM 0 HE2 LYS A 72 10.211 6.602 -18.715 1.00 2.15 H new ATOM 0 HE3 LYS A 72 11.017 7.826 -17.756 1.00 2.15 H new ATOM 0 HZ1 LYS A 72 11.472 8.143 -20.079 1.00 3.18 H new ATOM 0 HZ2 LYS A 72 12.909 7.713 -19.282 1.00 3.18 H new ATOM 0 HZ3 LYS A 72 12.086 6.566 -20.226 1.00 3.18 H new ATOM 1130 N GLY A 73 10.119 6.998 -12.542 1.00 0.84 N ATOM 1131 CA GLY A 73 9.871 7.299 -11.138 1.00 0.90 C ATOM 1132 C GLY A 73 9.802 6.041 -10.291 1.00 0.79 C ATOM 1133 O GLY A 73 8.911 5.211 -10.452 1.00 0.82 O ATOM 0 H GLY A 73 9.261 7.042 -13.091 1.00 0.84 H new ATOM 0 HA2 GLY A 73 10.662 7.947 -10.761 1.00 0.90 H new ATOM 0 HA3 GLY A 73 8.935 7.851 -11.045 1.00 0.90 H new ATOM 1137 N ARG A 74 10.728 5.964 -9.344 1.00 1.07 N ATOM 1138 CA ARG A 74 10.637 5.117 -8.147 1.00 1.14 C ATOM 1139 C ARG A 74 10.008 5.883 -6.978 1.00 1.14 C ATOM 1140 O ARG A 74 10.399 7.018 -6.720 1.00 1.28 O ATOM 1141 CB ARG A 74 12.028 4.568 -7.764 1.00 1.45 C ATOM 1142 CG ARG A 74 12.017 3.789 -6.433 1.00 1.38 C ATOM 1143 CD ARG A 74 13.394 3.244 -6.036 1.00 1.71 C ATOM 1144 NE ARG A 74 13.514 1.803 -6.296 1.00 2.11 N ATOM 1145 CZ ARG A 74 13.856 0.861 -5.428 1.00 2.69 C ATOM 1146 NH1 ARG A 74 14.359 1.120 -4.242 1.00 3.27 N ATOM 1147 NH2 ARG A 74 13.674 -0.391 -5.759 1.00 3.83 N ATOM 0 H ARG A 74 11.593 6.504 -9.383 1.00 1.07 H new ATOM 0 HA ARG A 74 9.989 4.272 -8.377 1.00 1.14 H new ATOM 0 HB2 ARG A 74 12.387 3.915 -8.559 1.00 1.45 H new ATOM 0 HB3 ARG A 74 12.733 5.396 -7.689 1.00 1.45 H new ATOM 0 HG2 ARG A 74 11.651 4.442 -5.641 1.00 1.38 H new ATOM 0 HG3 ARG A 74 11.315 2.959 -6.512 1.00 1.38 H new ATOM 0 HD2 ARG A 74 14.168 3.777 -6.589 1.00 1.71 H new ATOM 0 HD3 ARG A 74 13.568 3.437 -4.977 1.00 1.71 H new ATOM 0 HE ARG A 74 13.312 1.494 -7.247 1.00 2.11 H new ATOM 0 HH11 ARG A 74 14.504 2.086 -3.949 1.00 3.27 H new ATOM 0 HH12 ARG A 74 14.605 0.355 -3.614 1.00 3.27 H new ATOM 0 HH21 ARG A 74 13.277 -0.625 -6.669 1.00 3.83 H new ATOM 0 HH22 ARG A 74 13.930 -1.133 -5.108 1.00 3.83 H new ATOM 1161 N VAL A 75 9.103 5.236 -6.241 1.00 1.06 N ATOM 1162 CA VAL A 75 8.476 5.742 -5.001 1.00 1.07 C ATOM 1163 C VAL A 75 8.106 4.580 -4.066 1.00 0.94 C ATOM 1164 O VAL A 75 7.916 3.458 -4.532 1.00 1.08 O ATOM 1165 CB VAL A 75 7.199 6.578 -5.280 1.00 1.30 C ATOM 1166 CG1 VAL A 75 7.483 7.903 -6.009 1.00 1.52 C ATOM 1167 CG2 VAL A 75 6.147 5.779 -6.070 1.00 1.37 C ATOM 0 H VAL A 75 8.768 4.307 -6.495 1.00 1.06 H new ATOM 0 HA VAL A 75 9.215 6.388 -4.528 1.00 1.07 H new ATOM 0 HB VAL A 75 6.803 6.819 -4.293 1.00 1.30 H new ATOM 0 HG11 VAL A 75 6.547 8.437 -6.172 1.00 1.52 H new ATOM 0 HG12 VAL A 75 8.149 8.516 -5.403 1.00 1.52 H new ATOM 0 HG13 VAL A 75 7.955 7.696 -6.970 1.00 1.52 H new ATOM 0 HG21 VAL A 75 5.270 6.403 -6.243 1.00 1.37 H new ATOM 0 HG22 VAL A 75 6.567 5.471 -7.027 1.00 1.37 H new ATOM 0 HG23 VAL A 75 5.857 4.896 -5.500 1.00 1.37 H new ATOM 1177 N GLU A 76 7.966 4.833 -2.765 1.00 0.93 N ATOM 1178 CA GLU A 76 7.411 3.878 -1.796 1.00 0.93 C ATOM 1179 C GLU A 76 6.115 4.377 -1.144 1.00 1.02 C ATOM 1180 O GLU A 76 5.899 5.573 -0.934 1.00 1.33 O ATOM 1181 CB GLU A 76 8.416 3.444 -0.695 1.00 1.13 C ATOM 1182 CG GLU A 76 9.846 4.004 -0.754 1.00 1.76 C ATOM 1183 CD GLU A 76 9.871 5.475 -0.366 1.00 2.70 C ATOM 1184 OE1 GLU A 76 9.930 5.797 0.839 1.00 3.25 O ATOM 1185 OE2 GLU A 76 9.771 6.348 -1.258 1.00 3.73 O ATOM 0 H GLU A 76 8.239 5.721 -2.344 1.00 0.93 H new ATOM 0 HA GLU A 76 7.183 2.998 -2.397 1.00 0.93 H new ATOM 0 HB2 GLU A 76 7.991 3.718 0.270 1.00 1.13 H new ATOM 0 HB3 GLU A 76 8.483 2.356 -0.716 1.00 1.13 H new ATOM 0 HG2 GLU A 76 10.491 3.436 -0.083 1.00 1.76 H new ATOM 0 HG3 GLU A 76 10.247 3.883 -1.760 1.00 1.76 H new ATOM 1192 N LEU A 77 5.285 3.416 -0.734 1.00 0.87 N ATOM 1193 CA LEU A 77 4.207 3.599 0.227 1.00 0.88 C ATOM 1194 C LEU A 77 4.812 3.691 1.635 1.00 1.14 C ATOM 1195 O LEU A 77 4.808 2.732 2.403 1.00 1.40 O ATOM 1196 CB LEU A 77 3.160 2.471 0.082 1.00 0.78 C ATOM 1197 CG LEU A 77 2.182 2.628 -1.102 1.00 0.68 C ATOM 1198 CD1 LEU A 77 2.828 2.346 -2.467 1.00 0.73 C ATOM 1199 CD2 LEU A 77 0.997 1.674 -0.900 1.00 0.80 C ATOM 0 H LEU A 77 5.351 2.458 -1.077 1.00 0.87 H new ATOM 0 HA LEU A 77 3.672 4.529 0.036 1.00 0.88 H new ATOM 0 HB2 LEU A 77 3.685 1.522 -0.025 1.00 0.78 H new ATOM 0 HB3 LEU A 77 2.582 2.413 1.004 1.00 0.78 H new ATOM 0 HG LEU A 77 1.858 3.669 -1.114 1.00 0.68 H new ATOM 0 HD11 LEU A 77 2.085 2.474 -3.254 1.00 0.73 H new ATOM 0 HD12 LEU A 77 3.653 3.040 -2.629 1.00 0.73 H new ATOM 0 HD13 LEU A 77 3.205 1.323 -2.487 1.00 0.73 H new ATOM 0 HD21 LEU A 77 0.300 1.778 -1.732 1.00 0.80 H new ATOM 0 HD22 LEU A 77 1.360 0.647 -0.857 1.00 0.80 H new ATOM 0 HD23 LEU A 77 0.488 1.919 0.032 1.00 0.80 H new ATOM 1211 N LYS A 78 5.380 4.852 1.964 1.00 1.40 N ATOM 1212 CA LYS A 78 5.964 5.146 3.277 1.00 1.60 C ATOM 1213 C LYS A 78 4.884 5.355 4.371 1.00 1.44 C ATOM 1214 O LYS A 78 3.911 6.061 4.109 1.00 1.34 O ATOM 1215 CB LYS A 78 6.932 6.344 3.152 1.00 1.84 C ATOM 1216 CG LYS A 78 6.419 7.545 2.317 1.00 1.85 C ATOM 1217 CD LYS A 78 7.277 7.812 1.077 1.00 2.34 C ATOM 1218 CE LYS A 78 8.600 8.465 1.497 1.00 2.46 C ATOM 1219 NZ LYS A 78 9.551 8.492 0.369 1.00 3.37 N ATOM 0 H LYS A 78 5.449 5.633 1.311 1.00 1.40 H new ATOM 0 HA LYS A 78 6.536 4.279 3.608 1.00 1.60 H new ATOM 0 HB2 LYS A 78 7.171 6.699 4.154 1.00 1.84 H new ATOM 0 HB3 LYS A 78 7.863 5.990 2.709 1.00 1.84 H new ATOM 0 HG2 LYS A 78 5.391 7.355 2.008 1.00 1.85 H new ATOM 0 HG3 LYS A 78 6.404 8.437 2.943 1.00 1.85 H new ATOM 0 HD2 LYS A 78 7.472 6.878 0.550 1.00 2.34 H new ATOM 0 HD3 LYS A 78 6.742 8.463 0.386 1.00 2.34 H new ATOM 0 HE2 LYS A 78 8.415 9.481 1.847 1.00 2.46 H new ATOM 0 HE3 LYS A 78 9.034 7.914 2.332 1.00 2.46 H new ATOM 0 HZ1 LYS A 78 10.497 8.222 0.706 1.00 3.37 H new ATOM 0 HZ2 LYS A 78 9.240 7.822 -0.363 1.00 3.37 H new ATOM 0 HZ3 LYS A 78 9.587 9.451 -0.032 1.00 3.37 H new ATOM 1233 N PRO A 79 5.045 4.815 5.599 1.00 1.44 N ATOM 1234 CA PRO A 79 3.988 4.771 6.621 1.00 1.23 C ATOM 1235 C PRO A 79 3.483 6.152 7.076 1.00 1.11 C ATOM 1236 O PRO A 79 2.283 6.300 7.292 1.00 0.97 O ATOM 1237 CB PRO A 79 4.563 3.949 7.782 1.00 1.28 C ATOM 1238 CG PRO A 79 6.076 4.022 7.585 1.00 1.55 C ATOM 1239 CD PRO A 79 6.215 4.085 6.067 1.00 1.63 C ATOM 0 HA PRO A 79 3.092 4.313 6.202 1.00 1.23 H new ATOM 0 HB2 PRO A 79 4.267 4.362 8.746 1.00 1.28 H new ATOM 0 HB3 PRO A 79 4.208 2.919 7.754 1.00 1.28 H new ATOM 0 HG2 PRO A 79 6.505 4.900 8.067 1.00 1.55 H new ATOM 0 HG3 PRO A 79 6.581 3.151 8.002 1.00 1.55 H new ATOM 0 HD2 PRO A 79 7.135 4.592 5.778 1.00 1.63 H new ATOM 0 HD3 PRO A 79 6.253 3.085 5.635 1.00 1.63 H new ATOM 1247 N GLY A 80 4.352 7.169 7.138 1.00 1.35 N ATOM 1248 CA GLY A 80 3.961 8.570 6.937 1.00 1.47 C ATOM 1249 C GLY A 80 4.118 8.865 5.447 1.00 1.29 C ATOM 1250 O GLY A 80 5.217 8.657 4.944 1.00 1.29 O ATOM 0 H GLY A 80 5.346 7.044 7.329 1.00 1.35 H new ATOM 0 HA2 GLY A 80 2.932 8.733 7.257 1.00 1.47 H new ATOM 0 HA3 GLY A 80 4.588 9.235 7.531 1.00 1.47 H new ATOM 1254 N GLY A 81 3.063 9.280 4.737 1.00 1.60 N ATOM 1255 CA GLY A 81 2.989 9.208 3.271 1.00 1.30 C ATOM 1256 C GLY A 81 1.772 8.430 2.773 1.00 1.00 C ATOM 1257 O GLY A 81 0.710 9.012 2.621 1.00 1.04 O ATOM 0 H GLY A 81 2.228 9.679 5.166 1.00 1.60 H new ATOM 0 HA2 GLY A 81 2.959 10.219 2.864 1.00 1.30 H new ATOM 0 HA3 GLY A 81 3.895 8.738 2.889 1.00 1.30 H new ATOM 1261 N TYR A 82 1.927 7.134 2.494 1.00 0.81 N ATOM 1262 CA TYR A 82 0.962 6.250 1.814 1.00 0.60 C ATOM 1263 C TYR A 82 1.062 4.805 2.323 1.00 0.62 C ATOM 1264 O TYR A 82 2.133 4.344 2.703 1.00 0.78 O ATOM 1265 CB TYR A 82 1.170 6.313 0.296 1.00 0.55 C ATOM 1266 CG TYR A 82 1.179 7.718 -0.265 1.00 0.64 C ATOM 1267 CD1 TYR A 82 -0.031 8.423 -0.415 1.00 1.80 C ATOM 1268 CD2 TYR A 82 2.404 8.336 -0.591 1.00 1.70 C ATOM 1269 CE1 TYR A 82 -0.019 9.764 -0.840 1.00 1.92 C ATOM 1270 CE2 TYR A 82 2.422 9.673 -1.022 1.00 1.73 C ATOM 1271 CZ TYR A 82 1.215 10.393 -1.132 1.00 0.94 C ATOM 1272 OH TYR A 82 1.239 11.697 -1.510 1.00 1.10 O ATOM 0 H TYR A 82 2.780 6.638 2.750 1.00 0.81 H new ATOM 0 HA TYR A 82 -0.043 6.603 2.046 1.00 0.60 H new ATOM 0 HB2 TYR A 82 2.114 5.828 0.048 1.00 0.55 H new ATOM 0 HB3 TYR A 82 0.380 5.742 -0.193 1.00 0.55 H new ATOM 0 HD1 TYR A 82 -0.970 7.933 -0.203 1.00 1.80 H new ATOM 0 HD2 TYR A 82 3.327 7.782 -0.509 1.00 1.70 H new ATOM 0 HE1 TYR A 82 -0.945 10.310 -0.943 1.00 1.92 H new ATOM 0 HE2 TYR A 82 3.360 10.149 -1.269 1.00 1.73 H new ATOM 0 HH TYR A 82 2.165 11.974 -1.672 1.00 1.10 H new ATOM 1282 N HIS A 83 -0.045 4.065 2.323 1.00 0.57 N ATOM 1283 CA HIS A 83 -0.117 2.686 2.815 1.00 0.63 C ATOM 1284 C HIS A 83 -1.443 2.046 2.388 1.00 0.59 C ATOM 1285 O HIS A 83 -2.392 2.751 2.044 1.00 0.57 O ATOM 1286 CB HIS A 83 0.068 2.640 4.344 1.00 0.76 C ATOM 1287 CG HIS A 83 -1.015 3.331 5.137 1.00 0.71 C ATOM 1288 ND1 HIS A 83 -1.202 4.691 5.272 1.00 1.01 N ATOM 1289 CD2 HIS A 83 -1.975 2.722 5.899 1.00 0.68 C ATOM 1290 CE1 HIS A 83 -2.246 4.889 6.087 1.00 1.01 C ATOM 1291 NE2 HIS A 83 -2.742 3.717 6.514 1.00 0.74 N ATOM 0 H HIS A 83 -0.938 4.413 1.974 1.00 0.57 H new ATOM 0 HA HIS A 83 0.696 2.110 2.373 1.00 0.63 H new ATOM 0 HB2 HIS A 83 0.119 1.597 4.658 1.00 0.76 H new ATOM 0 HB3 HIS A 83 1.027 3.095 4.593 1.00 0.76 H new ATOM 0 HD2 HIS A 83 -2.116 1.657 6.007 1.00 0.68 H new ATOM 0 HE1 HIS A 83 -2.635 5.858 6.363 1.00 1.01 H new ATOM 0 HE2 HIS A 83 -3.521 3.580 7.157 1.00 0.74 H new ATOM 1299 N PHE A 84 -1.537 0.721 2.456 1.00 0.64 N ATOM 1300 CA PHE A 84 -2.820 0.037 2.341 1.00 0.66 C ATOM 1301 C PHE A 84 -3.412 -0.197 3.730 1.00 0.78 C ATOM 1302 O PHE A 84 -2.709 -0.634 4.643 1.00 1.16 O ATOM 1303 CB PHE A 84 -2.649 -1.283 1.584 1.00 0.78 C ATOM 1304 CG PHE A 84 -2.289 -1.111 0.123 1.00 0.79 C ATOM 1305 CD1 PHE A 84 -3.271 -0.662 -0.781 1.00 1.63 C ATOM 1306 CD2 PHE A 84 -0.988 -1.394 -0.336 1.00 2.32 C ATOM 1307 CE1 PHE A 84 -2.957 -0.519 -2.140 1.00 1.57 C ATOM 1308 CE2 PHE A 84 -0.670 -1.221 -1.696 1.00 2.43 C ATOM 1309 CZ PHE A 84 -1.652 -0.773 -2.596 1.00 0.97 C ATOM 0 H PHE A 84 -0.739 0.100 2.590 1.00 0.64 H new ATOM 0 HA PHE A 84 -3.511 0.662 1.776 1.00 0.66 H new ATOM 0 HB2 PHE A 84 -1.873 -1.872 2.072 1.00 0.78 H new ATOM 0 HB3 PHE A 84 -3.575 -1.854 1.655 1.00 0.78 H new ATOM 0 HD1 PHE A 84 -4.265 -0.428 -0.428 1.00 1.63 H new ATOM 0 HD2 PHE A 84 -0.235 -1.743 0.355 1.00 2.32 H new ATOM 0 HE1 PHE A 84 -3.721 -0.212 -2.839 1.00 1.57 H new ATOM 0 HE2 PHE A 84 0.329 -1.433 -2.048 1.00 2.43 H new ATOM 0 HZ PHE A 84 -1.404 -0.624 -3.637 1.00 0.97 H new ATOM 1319 N MET A 85 -4.718 0.022 3.854 1.00 0.54 N ATOM 1320 CA MET A 85 -5.560 -0.571 4.895 1.00 0.51 C ATOM 1321 C MET A 85 -6.261 -1.812 4.337 1.00 0.50 C ATOM 1322 O MET A 85 -6.697 -1.830 3.186 1.00 0.60 O ATOM 1323 CB MET A 85 -6.572 0.464 5.411 1.00 0.56 C ATOM 1324 CG MET A 85 -5.982 1.332 6.529 1.00 0.75 C ATOM 1325 SD MET A 85 -5.806 0.488 8.126 1.00 0.84 S ATOM 1326 CE MET A 85 -4.024 0.191 8.153 1.00 0.61 C ATOM 0 H MET A 85 -5.235 0.631 3.220 1.00 0.54 H new ATOM 0 HA MET A 85 -4.942 -0.877 5.739 1.00 0.51 H new ATOM 0 HB2 MET A 85 -6.892 1.102 4.587 1.00 0.56 H new ATOM 0 HB3 MET A 85 -7.460 -0.049 5.780 1.00 0.56 H new ATOM 0 HG2 MET A 85 -5.003 1.692 6.213 1.00 0.75 H new ATOM 0 HG3 MET A 85 -6.616 2.208 6.664 1.00 0.75 H new ATOM 0 HE1 MET A 85 -3.829 -0.819 8.513 1.00 0.61 H new ATOM 0 HE2 MET A 85 -3.621 0.301 7.146 1.00 0.61 H new ATOM 0 HE3 MET A 85 -3.545 0.912 8.816 1.00 0.61 H new ATOM 1336 N LEU A 86 -6.340 -2.860 5.160 1.00 0.61 N ATOM 1337 CA LEU A 86 -6.938 -4.154 4.832 1.00 0.61 C ATOM 1338 C LEU A 86 -7.990 -4.526 5.885 1.00 0.56 C ATOM 1339 O LEU A 86 -7.781 -4.296 7.076 1.00 0.86 O ATOM 1340 CB LEU A 86 -5.841 -5.243 4.789 1.00 0.65 C ATOM 1341 CG LEU A 86 -4.844 -5.237 3.606 1.00 0.82 C ATOM 1342 CD1 LEU A 86 -5.515 -5.066 2.236 1.00 2.88 C ATOM 1343 CD2 LEU A 86 -3.749 -4.171 3.741 1.00 1.79 C ATOM 0 H LEU A 86 -5.974 -2.828 6.112 1.00 0.61 H new ATOM 0 HA LEU A 86 -7.417 -4.085 3.855 1.00 0.61 H new ATOM 0 HB2 LEU A 86 -5.263 -5.169 5.710 1.00 0.65 H new ATOM 0 HB3 LEU A 86 -6.336 -6.214 4.801 1.00 0.65 H new ATOM 0 HG LEU A 86 -4.390 -6.227 3.655 1.00 0.82 H new ATOM 0 HD11 LEU A 86 -4.754 -5.071 1.455 1.00 2.88 H new ATOM 0 HD12 LEU A 86 -6.213 -5.886 2.068 1.00 2.88 H new ATOM 0 HD13 LEU A 86 -6.054 -4.119 2.211 1.00 2.88 H new ATOM 0 HD21 LEU A 86 -3.084 -4.221 2.879 1.00 1.79 H new ATOM 0 HD22 LEU A 86 -4.207 -3.183 3.789 1.00 1.79 H new ATOM 0 HD23 LEU A 86 -3.177 -4.350 4.651 1.00 1.79 H new ATOM 1355 N LEU A 87 -9.094 -5.147 5.455 1.00 0.55 N ATOM 1356 CA LEU A 87 -10.263 -5.492 6.275 1.00 0.68 C ATOM 1357 C LEU A 87 -10.908 -6.814 5.812 1.00 0.73 C ATOM 1358 O LEU A 87 -11.144 -7.015 4.618 1.00 0.90 O ATOM 1359 CB LEU A 87 -11.265 -4.319 6.168 1.00 0.73 C ATOM 1360 CG LEU A 87 -11.246 -3.352 7.362 1.00 1.11 C ATOM 1361 CD1 LEU A 87 -11.908 -2.022 6.975 1.00 1.45 C ATOM 1362 CD2 LEU A 87 -12.006 -3.963 8.546 1.00 3.03 C ATOM 0 H LEU A 87 -9.203 -5.436 4.483 1.00 0.55 H new ATOM 0 HA LEU A 87 -9.961 -5.644 7.311 1.00 0.68 H new ATOM 0 HB2 LEU A 87 -11.051 -3.757 5.259 1.00 0.73 H new ATOM 0 HB3 LEU A 87 -12.271 -4.726 6.062 1.00 0.73 H new ATOM 0 HG LEU A 87 -10.209 -3.174 7.646 1.00 1.11 H new ATOM 0 HD11 LEU A 87 -11.889 -1.344 7.828 1.00 1.45 H new ATOM 0 HD12 LEU A 87 -11.365 -1.574 6.143 1.00 1.45 H new ATOM 0 HD13 LEU A 87 -12.941 -2.203 6.678 1.00 1.45 H new ATOM 0 HD21 LEU A 87 -11.987 -3.270 9.387 1.00 3.03 H new ATOM 0 HD22 LEU A 87 -13.039 -4.153 8.256 1.00 3.03 H new ATOM 0 HD23 LEU A 87 -11.533 -4.901 8.837 1.00 3.03 H new ATOM 1374 N GLY A 88 -11.225 -7.710 6.758 1.00 0.79 N ATOM 1375 CA GLY A 88 -11.864 -9.010 6.477 1.00 0.92 C ATOM 1376 C GLY A 88 -10.843 -10.035 5.987 1.00 1.00 C ATOM 1377 O GLY A 88 -10.769 -10.298 4.789 1.00 1.47 O ATOM 0 H GLY A 88 -11.045 -7.554 7.750 1.00 0.79 H new ATOM 0 HA2 GLY A 88 -12.351 -9.381 7.379 1.00 0.92 H new ATOM 0 HA3 GLY A 88 -12.642 -8.880 5.725 1.00 0.92 H new ATOM 1381 N LEU A 89 -10.005 -10.561 6.890 1.00 0.91 N ATOM 1382 CA LEU A 89 -8.775 -11.269 6.511 1.00 0.79 C ATOM 1383 C LEU A 89 -9.000 -12.754 6.181 1.00 0.84 C ATOM 1384 O LEU A 89 -9.438 -13.518 7.036 1.00 1.04 O ATOM 1385 CB LEU A 89 -7.688 -11.083 7.591 1.00 0.84 C ATOM 1386 CG LEU A 89 -7.463 -9.635 8.082 1.00 0.88 C ATOM 1387 CD1 LEU A 89 -6.271 -9.595 9.045 1.00 0.95 C ATOM 1388 CD2 LEU A 89 -7.228 -8.605 6.964 1.00 1.13 C ATOM 0 H LEU A 89 -10.159 -10.509 7.897 1.00 0.91 H new ATOM 0 HA LEU A 89 -8.426 -10.816 5.583 1.00 0.79 H new ATOM 0 HB2 LEU A 89 -7.948 -11.701 8.450 1.00 0.84 H new ATOM 0 HB3 LEU A 89 -6.745 -11.463 7.199 1.00 0.84 H new ATOM 0 HG LEU A 89 -8.392 -9.349 8.575 1.00 0.88 H new ATOM 0 HD11 LEU A 89 -6.115 -8.573 9.389 1.00 0.95 H new ATOM 0 HD12 LEU A 89 -6.473 -10.239 9.901 1.00 0.95 H new ATOM 0 HD13 LEU A 89 -5.376 -9.945 8.531 1.00 0.95 H new ATOM 0 HD21 LEU A 89 -7.080 -7.618 7.403 1.00 1.13 H new ATOM 0 HD22 LEU A 89 -6.343 -8.884 6.392 1.00 1.13 H new ATOM 0 HD23 LEU A 89 -8.094 -8.582 6.303 1.00 1.13 H new ATOM 1400 N LYS A 90 -8.691 -13.188 4.950 1.00 0.88 N ATOM 1401 CA LYS A 90 -9.079 -14.536 4.473 1.00 0.99 C ATOM 1402 C LYS A 90 -8.039 -15.641 4.736 1.00 1.22 C ATOM 1403 O LYS A 90 -8.344 -16.818 4.558 1.00 1.36 O ATOM 1404 CB LYS A 90 -9.504 -14.551 2.991 1.00 1.11 C ATOM 1405 CG LYS A 90 -9.933 -13.210 2.381 1.00 0.93 C ATOM 1406 CD LYS A 90 -10.592 -13.465 1.020 1.00 1.34 C ATOM 1407 CE LYS A 90 -10.887 -12.142 0.313 1.00 1.64 C ATOM 1408 NZ LYS A 90 -11.992 -12.273 -0.659 1.00 1.81 N ATOM 0 H LYS A 90 -8.177 -12.633 4.266 1.00 0.88 H new ATOM 0 HA LYS A 90 -9.947 -14.776 5.088 1.00 0.99 H new ATOM 0 HB2 LYS A 90 -8.673 -14.941 2.403 1.00 1.11 H new ATOM 0 HB3 LYS A 90 -10.330 -15.254 2.881 1.00 1.11 H new ATOM 0 HG2 LYS A 90 -10.630 -12.700 3.046 1.00 0.93 H new ATOM 0 HG3 LYS A 90 -9.068 -12.557 2.264 1.00 0.93 H new ATOM 0 HD2 LYS A 90 -9.936 -14.077 0.401 1.00 1.34 H new ATOM 0 HD3 LYS A 90 -11.517 -14.026 1.156 1.00 1.34 H new ATOM 0 HE2 LYS A 90 -11.142 -11.384 1.053 1.00 1.64 H new ATOM 0 HE3 LYS A 90 -9.990 -11.797 -0.201 1.00 1.64 H new ATOM 0 HZ1 LYS A 90 -12.207 -11.341 -1.068 1.00 1.81 H new ATOM 0 HZ2 LYS A 90 -11.712 -12.928 -1.417 1.00 1.81 H new ATOM 0 HZ3 LYS A 90 -12.836 -12.643 -0.177 1.00 1.81 H new ATOM 1422 N ARG A 91 -6.834 -15.279 5.186 1.00 1.37 N ATOM 1423 CA ARG A 91 -5.882 -16.167 5.863 1.00 1.56 C ATOM 1424 C ARG A 91 -5.393 -15.458 7.138 1.00 1.39 C ATOM 1425 O ARG A 91 -5.287 -14.231 7.115 1.00 1.17 O ATOM 1426 CB ARG A 91 -4.713 -16.574 4.932 1.00 1.76 C ATOM 1427 CG ARG A 91 -3.808 -15.426 4.426 1.00 2.25 C ATOM 1428 CD ARG A 91 -3.708 -15.353 2.893 1.00 3.06 C ATOM 1429 NE ARG A 91 -2.749 -16.302 2.287 1.00 3.55 N ATOM 1430 CZ ARG A 91 -1.826 -15.952 1.389 1.00 5.00 C ATOM 1431 NH1 ARG A 91 -1.256 -14.767 1.374 1.00 6.15 N ATOM 1432 NH2 ARG A 91 -1.482 -16.799 0.447 1.00 5.74 N ATOM 0 H ARG A 91 -6.482 -14.327 5.086 1.00 1.37 H new ATOM 0 HA ARG A 91 -6.375 -17.101 6.135 1.00 1.56 H new ATOM 0 HB2 ARG A 91 -4.089 -17.294 5.461 1.00 1.76 H new ATOM 0 HB3 ARG A 91 -5.129 -17.089 4.066 1.00 1.76 H new ATOM 0 HG2 ARG A 91 -4.193 -14.478 4.803 1.00 2.25 H new ATOM 0 HG3 ARG A 91 -2.808 -15.552 4.842 1.00 2.25 H new ATOM 0 HD2 ARG A 91 -4.696 -15.536 2.470 1.00 3.06 H new ATOM 0 HD3 ARG A 91 -3.423 -14.340 2.610 1.00 3.06 H new ATOM 0 HE ARG A 91 -2.796 -17.280 2.572 1.00 3.55 H new ATOM 0 HH11 ARG A 91 -1.515 -14.068 2.070 1.00 6.15 H new ATOM 0 HH12 ARG A 91 -0.555 -14.547 0.666 1.00 6.15 H new ATOM 0 HH21 ARG A 91 -1.920 -17.719 0.404 1.00 5.74 H new ATOM 0 HH22 ARG A 91 -0.777 -16.537 -0.242 1.00 5.74 H new ATOM 1446 N PRO A 92 -5.125 -16.170 8.251 1.00 1.60 N ATOM 1447 CA PRO A 92 -4.428 -15.578 9.381 1.00 1.53 C ATOM 1448 C PRO A 92 -2.974 -15.375 8.958 1.00 1.29 C ATOM 1449 O PRO A 92 -2.353 -16.296 8.435 1.00 1.44 O ATOM 1450 CB PRO A 92 -4.573 -16.576 10.525 1.00 1.92 C ATOM 1451 CG PRO A 92 -4.684 -17.925 9.811 1.00 2.08 C ATOM 1452 CD PRO A 92 -5.369 -17.587 8.483 1.00 2.01 C ATOM 0 HA PRO A 92 -4.820 -14.612 9.697 1.00 1.53 H new ATOM 0 HB2 PRO A 92 -3.714 -16.546 11.195 1.00 1.92 H new ATOM 0 HB3 PRO A 92 -5.456 -16.368 11.129 1.00 1.92 H new ATOM 0 HG2 PRO A 92 -3.704 -18.374 9.651 1.00 2.08 H new ATOM 0 HG3 PRO A 92 -5.270 -18.637 10.392 1.00 2.08 H new ATOM 0 HD2 PRO A 92 -4.963 -18.190 7.671 1.00 2.01 H new ATOM 0 HD3 PRO A 92 -6.438 -17.795 8.532 1.00 2.01 H new ATOM 1460 N LEU A 93 -2.468 -14.156 9.152 1.00 1.25 N ATOM 1461 CA LEU A 93 -1.194 -13.676 8.608 1.00 1.24 C ATOM 1462 C LEU A 93 -0.018 -14.442 9.235 1.00 1.35 C ATOM 1463 O LEU A 93 0.476 -14.105 10.312 1.00 1.56 O ATOM 1464 CB LEU A 93 -1.104 -12.147 8.845 1.00 1.43 C ATOM 1465 CG LEU A 93 -1.819 -11.225 7.831 1.00 1.54 C ATOM 1466 CD1 LEU A 93 -1.062 -11.149 6.500 1.00 1.58 C ATOM 1467 CD2 LEU A 93 -3.281 -11.603 7.568 1.00 2.32 C ATOM 0 H LEU A 93 -2.949 -13.451 9.711 1.00 1.25 H new ATOM 0 HA LEU A 93 -1.141 -13.861 7.535 1.00 1.24 H new ATOM 0 HB2 LEU A 93 -1.508 -11.936 9.835 1.00 1.43 H new ATOM 0 HB3 LEU A 93 -0.050 -11.871 8.865 1.00 1.43 H new ATOM 0 HG LEU A 93 -1.822 -10.244 8.306 1.00 1.54 H new ATOM 0 HD11 LEU A 93 -1.597 -10.491 5.814 1.00 1.58 H new ATOM 0 HD12 LEU A 93 -0.060 -10.756 6.673 1.00 1.58 H new ATOM 0 HD13 LEU A 93 -0.990 -12.146 6.065 1.00 1.58 H new ATOM 0 HD21 LEU A 93 -3.712 -10.909 6.846 1.00 2.32 H new ATOM 0 HD22 LEU A 93 -3.329 -12.617 7.170 1.00 2.32 H new ATOM 0 HD23 LEU A 93 -3.843 -11.552 8.500 1.00 2.32 H new ATOM 1479 N LYS A 94 0.465 -15.487 8.563 1.00 1.50 N ATOM 1480 CA LYS A 94 1.606 -16.261 9.024 1.00 1.73 C ATOM 1481 C LYS A 94 2.869 -15.389 8.917 1.00 1.49 C ATOM 1482 O LYS A 94 3.357 -15.119 7.826 1.00 1.80 O ATOM 1483 CB LYS A 94 1.627 -17.597 8.239 1.00 2.19 C ATOM 1484 CG LYS A 94 2.959 -18.343 8.091 1.00 2.75 C ATOM 1485 CD LYS A 94 3.657 -18.667 9.412 1.00 2.57 C ATOM 1486 CE LYS A 94 5.001 -19.334 9.083 1.00 3.86 C ATOM 1487 NZ LYS A 94 5.982 -19.169 10.181 1.00 4.99 N ATOM 0 H LYS A 94 0.071 -15.817 7.682 1.00 1.50 H new ATOM 0 HA LYS A 94 1.548 -16.540 10.076 1.00 1.73 H new ATOM 0 HB2 LYS A 94 0.921 -18.274 8.720 1.00 2.19 H new ATOM 0 HB3 LYS A 94 1.247 -17.398 7.237 1.00 2.19 H new ATOM 0 HG2 LYS A 94 2.781 -19.273 7.551 1.00 2.75 H new ATOM 0 HG3 LYS A 94 3.631 -17.742 7.478 1.00 2.75 H new ATOM 0 HD2 LYS A 94 3.814 -17.759 9.994 1.00 2.57 H new ATOM 0 HD3 LYS A 94 3.040 -19.331 10.017 1.00 2.57 H new ATOM 0 HE2 LYS A 94 4.843 -20.396 8.894 1.00 3.86 H new ATOM 0 HE3 LYS A 94 5.405 -18.904 8.167 1.00 3.86 H new ATOM 0 HZ1 LYS A 94 6.832 -19.731 9.974 1.00 4.99 H new ATOM 0 HZ2 LYS A 94 6.242 -18.166 10.266 1.00 4.99 H new ATOM 0 HZ3 LYS A 94 5.561 -19.495 11.075 1.00 4.99 H new ATOM 1501 N ALA A 95 3.460 -15.000 10.056 1.00 1.43 N ATOM 1502 CA ALA A 95 4.802 -14.403 10.090 1.00 1.41 C ATOM 1503 C ALA A 95 5.809 -15.296 9.331 1.00 1.25 C ATOM 1504 O ALA A 95 6.114 -16.414 9.770 1.00 1.30 O ATOM 1505 CB ALA A 95 5.195 -14.152 11.551 1.00 1.78 C ATOM 0 H ALA A 95 3.024 -15.090 10.974 1.00 1.43 H new ATOM 0 HA ALA A 95 4.808 -13.442 9.576 1.00 1.41 H new ATOM 0 HB1 ALA A 95 6.190 -13.709 11.589 1.00 1.78 H new ATOM 0 HB2 ALA A 95 4.477 -13.472 12.009 1.00 1.78 H new ATOM 0 HB3 ALA A 95 5.198 -15.097 12.095 1.00 1.78 H new ATOM 1511 N GLY A 96 6.259 -14.831 8.160 1.00 1.30 N ATOM 1512 CA GLY A 96 7.060 -15.603 7.206 1.00 1.37 C ATOM 1513 C GLY A 96 6.281 -16.297 6.077 1.00 1.35 C ATOM 1514 O GLY A 96 6.855 -17.191 5.468 1.00 1.79 O ATOM 0 H GLY A 96 6.070 -13.880 7.842 1.00 1.30 H new ATOM 0 HA2 GLY A 96 7.795 -14.936 6.756 1.00 1.37 H new ATOM 0 HA3 GLY A 96 7.614 -16.362 7.758 1.00 1.37 H new ATOM 1518 N GLU A 97 5.024 -15.935 5.788 1.00 1.16 N ATOM 1519 CA GLU A 97 4.463 -16.060 4.433 1.00 1.13 C ATOM 1520 C GLU A 97 4.858 -14.824 3.611 1.00 1.08 C ATOM 1521 O GLU A 97 5.355 -13.831 4.153 1.00 1.14 O ATOM 1522 CB GLU A 97 2.923 -16.281 4.415 1.00 1.32 C ATOM 1523 CG GLU A 97 2.072 -15.020 4.660 1.00 2.49 C ATOM 1524 CD GLU A 97 0.556 -15.245 4.755 1.00 2.98 C ATOM 1525 OE1 GLU A 97 0.137 -15.949 5.697 1.00 2.72 O ATOM 1526 OE2 GLU A 97 -0.197 -14.669 3.933 1.00 4.39 O ATOM 0 H GLU A 97 4.374 -15.552 6.475 1.00 1.16 H new ATOM 0 HA GLU A 97 4.886 -16.959 3.984 1.00 1.13 H new ATOM 0 HB2 GLU A 97 2.645 -16.705 3.450 1.00 1.32 H new ATOM 0 HB3 GLU A 97 2.670 -17.022 5.173 1.00 1.32 H new ATOM 0 HG2 GLU A 97 2.409 -14.551 5.584 1.00 2.49 H new ATOM 0 HG3 GLU A 97 2.265 -14.312 3.854 1.00 2.49 H new ATOM 1533 N GLU A 98 4.569 -14.878 2.316 1.00 1.22 N ATOM 1534 CA GLU A 98 4.670 -13.760 1.384 1.00 1.35 C ATOM 1535 C GLU A 98 3.294 -13.509 0.773 1.00 1.17 C ATOM 1536 O GLU A 98 2.570 -14.454 0.468 1.00 1.39 O ATOM 1537 CB GLU A 98 5.671 -14.067 0.265 1.00 1.85 C ATOM 1538 CG GLU A 98 7.109 -14.139 0.780 1.00 2.80 C ATOM 1539 CD GLU A 98 8.029 -14.528 -0.368 1.00 3.33 C ATOM 1540 OE1 GLU A 98 8.283 -13.647 -1.216 1.00 4.33 O ATOM 1541 OE2 GLU A 98 8.441 -15.707 -0.402 1.00 3.56 O ATOM 0 H GLU A 98 4.245 -15.735 1.868 1.00 1.22 H new ATOM 0 HA GLU A 98 5.019 -12.879 1.924 1.00 1.35 H new ATOM 0 HB2 GLU A 98 5.408 -15.014 -0.206 1.00 1.85 H new ATOM 0 HB3 GLU A 98 5.600 -13.298 -0.504 1.00 1.85 H new ATOM 0 HG2 GLU A 98 7.409 -13.176 1.193 1.00 2.80 H new ATOM 0 HG3 GLU A 98 7.184 -14.869 1.586 1.00 2.80 H new ATOM 1548 N VAL A 99 2.941 -12.241 0.578 1.00 1.08 N ATOM 1549 CA VAL A 99 1.659 -11.829 0.003 1.00 0.93 C ATOM 1550 C VAL A 99 1.826 -11.522 -1.482 1.00 0.91 C ATOM 1551 O VAL A 99 2.561 -10.620 -1.874 1.00 0.97 O ATOM 1552 CB VAL A 99 1.052 -10.638 0.759 1.00 0.88 C ATOM 1553 CG1 VAL A 99 -0.309 -10.266 0.153 1.00 0.72 C ATOM 1554 CG2 VAL A 99 0.931 -10.987 2.251 1.00 1.02 C ATOM 0 H VAL A 99 3.547 -11.456 0.818 1.00 1.08 H new ATOM 0 HA VAL A 99 0.957 -12.656 0.108 1.00 0.93 H new ATOM 0 HB VAL A 99 1.703 -9.769 0.663 1.00 0.88 H new ATOM 0 HG11 VAL A 99 -0.730 -9.420 0.697 1.00 0.72 H new ATOM 0 HG12 VAL A 99 -0.179 -9.995 -0.895 1.00 0.72 H new ATOM 0 HG13 VAL A 99 -0.985 -11.118 0.226 1.00 0.72 H new ATOM 0 HG21 VAL A 99 0.500 -10.142 2.789 1.00 1.02 H new ATOM 0 HG22 VAL A 99 0.288 -11.859 2.370 1.00 1.02 H new ATOM 0 HG23 VAL A 99 1.919 -11.208 2.654 1.00 1.02 H new ATOM 1564 N GLU A 100 1.084 -12.281 -2.280 1.00 0.89 N ATOM 1565 CA GLU A 100 1.134 -12.382 -3.736 1.00 1.10 C ATOM 1566 C GLU A 100 0.318 -11.278 -4.452 1.00 1.43 C ATOM 1567 O GLU A 100 -0.454 -11.553 -5.381 1.00 2.95 O ATOM 1568 CB GLU A 100 0.711 -13.821 -4.109 1.00 1.53 C ATOM 1569 CG GLU A 100 -0.735 -14.232 -3.742 1.00 1.88 C ATOM 1570 CD GLU A 100 -0.910 -14.733 -2.305 1.00 4.11 C ATOM 1571 OE1 GLU A 100 -0.943 -13.894 -1.377 1.00 5.60 O ATOM 1572 OE2 GLU A 100 -1.083 -15.954 -2.125 1.00 5.09 O ATOM 0 H GLU A 100 0.369 -12.896 -1.892 1.00 0.89 H new ATOM 0 HA GLU A 100 2.148 -12.201 -4.092 1.00 1.10 H new ATOM 0 HB2 GLU A 100 0.839 -13.946 -5.184 1.00 1.53 H new ATOM 0 HB3 GLU A 100 1.397 -14.515 -3.623 1.00 1.53 H new ATOM 0 HG2 GLU A 100 -1.392 -13.377 -3.897 1.00 1.88 H new ATOM 0 HG3 GLU A 100 -1.062 -15.014 -4.428 1.00 1.88 H new ATOM 1579 N LEU A 101 0.477 -10.035 -3.979 1.00 1.14 N ATOM 1580 CA LEU A 101 -0.392 -8.884 -4.243 1.00 0.95 C ATOM 1581 C LEU A 101 -0.379 -8.419 -5.700 1.00 0.99 C ATOM 1582 O LEU A 101 0.673 -8.133 -6.273 1.00 1.04 O ATOM 1583 CB LEU A 101 0.026 -7.710 -3.336 1.00 0.84 C ATOM 1584 CG LEU A 101 -0.874 -7.482 -2.114 1.00 1.20 C ATOM 1585 CD1 LEU A 101 -0.031 -6.948 -0.961 1.00 1.79 C ATOM 1586 CD2 LEU A 101 -1.959 -6.434 -2.388 1.00 1.38 C ATOM 0 H LEU A 101 1.258 -9.794 -3.369 1.00 1.14 H new ATOM 0 HA LEU A 101 -1.409 -9.211 -4.028 1.00 0.95 H new ATOM 0 HB2 LEU A 101 1.045 -7.883 -2.991 1.00 0.84 H new ATOM 0 HB3 LEU A 101 0.042 -6.798 -3.932 1.00 0.84 H new ATOM 0 HG LEU A 101 -1.340 -8.438 -1.878 1.00 1.20 H new ATOM 0 HD11 LEU A 101 -0.667 -6.785 -0.091 1.00 1.79 H new ATOM 0 HD12 LEU A 101 0.746 -7.671 -0.712 1.00 1.79 H new ATOM 0 HD13 LEU A 101 0.432 -6.006 -1.254 1.00 1.79 H new ATOM 0 HD21 LEU A 101 -2.573 -6.304 -1.497 1.00 1.38 H new ATOM 0 HD22 LEU A 101 -1.491 -5.485 -2.647 1.00 1.38 H new ATOM 0 HD23 LEU A 101 -2.586 -6.767 -3.215 1.00 1.38 H new ATOM 1598 N ASP A 102 -1.585 -8.258 -6.238 1.00 0.99 N ATOM 1599 CA ASP A 102 -1.928 -7.742 -7.560 1.00 1.00 C ATOM 1600 C ASP A 102 -2.167 -6.224 -7.511 1.00 0.91 C ATOM 1601 O ASP A 102 -3.276 -5.765 -7.231 1.00 0.90 O ATOM 1602 CB ASP A 102 -3.198 -8.478 -8.007 1.00 1.14 C ATOM 1603 CG ASP A 102 -3.033 -9.954 -8.367 1.00 1.47 C ATOM 1604 OD1 ASP A 102 -2.602 -10.262 -9.497 1.00 2.17 O ATOM 1605 OD2 ASP A 102 -3.591 -10.801 -7.629 1.00 2.32 O ATOM 0 H ASP A 102 -2.422 -8.508 -5.712 1.00 0.99 H new ATOM 0 HA ASP A 102 -1.113 -7.910 -8.264 1.00 1.00 H new ATOM 0 HB2 ASP A 102 -3.937 -8.401 -7.209 1.00 1.14 H new ATOM 0 HB3 ASP A 102 -3.608 -7.958 -8.873 1.00 1.14 H new ATOM 1610 N LEU A 103 -1.130 -5.424 -7.782 1.00 0.96 N ATOM 1611 CA LEU A 103 -1.209 -3.957 -7.768 1.00 0.89 C ATOM 1612 C LEU A 103 -2.022 -3.449 -8.972 1.00 0.92 C ATOM 1613 O LEU A 103 -1.672 -3.707 -10.125 1.00 1.00 O ATOM 1614 CB LEU A 103 0.205 -3.342 -7.742 1.00 0.94 C ATOM 1615 CG LEU A 103 1.217 -3.971 -6.759 1.00 1.08 C ATOM 1616 CD1 LEU A 103 2.536 -3.195 -6.825 1.00 1.31 C ATOM 1617 CD2 LEU A 103 0.719 -4.007 -5.310 1.00 1.47 C ATOM 0 H LEU A 103 -0.204 -5.779 -8.019 1.00 0.96 H new ATOM 0 HA LEU A 103 -1.726 -3.642 -6.862 1.00 0.89 H new ATOM 0 HB2 LEU A 103 0.622 -3.406 -8.747 1.00 0.94 H new ATOM 0 HB3 LEU A 103 0.111 -2.283 -7.502 1.00 0.94 H new ATOM 0 HG LEU A 103 1.355 -5.007 -7.068 1.00 1.08 H new ATOM 0 HD11 LEU A 103 3.253 -3.636 -6.132 1.00 1.31 H new ATOM 0 HD12 LEU A 103 2.935 -3.241 -7.838 1.00 1.31 H new ATOM 0 HD13 LEU A 103 2.360 -2.155 -6.551 1.00 1.31 H new ATOM 0 HD21 LEU A 103 1.480 -4.461 -4.675 1.00 1.47 H new ATOM 0 HD22 LEU A 103 0.520 -2.991 -4.968 1.00 1.47 H new ATOM 0 HD23 LEU A 103 -0.198 -4.594 -5.255 1.00 1.47 H new ATOM 1629 N LEU A 104 -3.117 -2.728 -8.708 1.00 0.87 N ATOM 1630 CA LEU A 104 -4.135 -2.330 -9.690 1.00 0.91 C ATOM 1631 C LEU A 104 -3.833 -0.941 -10.267 1.00 0.86 C ATOM 1632 O LEU A 104 -3.756 0.044 -9.522 1.00 0.76 O ATOM 1633 CB LEU A 104 -5.539 -2.303 -9.043 1.00 0.91 C ATOM 1634 CG LEU A 104 -5.956 -3.533 -8.223 1.00 0.95 C ATOM 1635 CD1 LEU A 104 -7.356 -3.327 -7.630 1.00 1.00 C ATOM 1636 CD2 LEU A 104 -5.922 -4.827 -9.047 1.00 0.96 C ATOM 0 H LEU A 104 -3.328 -2.392 -7.768 1.00 0.87 H new ATOM 0 HA LEU A 104 -4.114 -3.067 -10.493 1.00 0.91 H new ATOM 0 HB2 LEU A 104 -5.596 -1.429 -8.394 1.00 0.91 H new ATOM 0 HB3 LEU A 104 -6.274 -2.160 -9.835 1.00 0.91 H new ATOM 0 HG LEU A 104 -5.229 -3.641 -7.418 1.00 0.95 H new ATOM 0 HD11 LEU A 104 -7.639 -4.206 -7.051 1.00 1.00 H new ATOM 0 HD12 LEU A 104 -7.351 -2.451 -6.981 1.00 1.00 H new ATOM 0 HD13 LEU A 104 -8.074 -3.177 -8.436 1.00 1.00 H new ATOM 0 HD21 LEU A 104 -6.225 -5.666 -8.420 1.00 0.96 H new ATOM 0 HD22 LEU A 104 -6.606 -4.739 -9.891 1.00 0.96 H new ATOM 0 HD23 LEU A 104 -4.911 -4.997 -9.416 1.00 0.96 H new ATOM 1648 N PHE A 105 -3.748 -0.821 -11.593 1.00 0.93 N ATOM 1649 CA PHE A 105 -3.415 0.442 -12.252 1.00 0.90 C ATOM 1650 C PHE A 105 -4.454 0.882 -13.288 1.00 1.00 C ATOM 1651 O PHE A 105 -4.738 0.175 -14.256 1.00 1.31 O ATOM 1652 CB PHE A 105 -2.062 0.315 -12.942 1.00 0.92 C ATOM 1653 CG PHE A 105 -0.878 0.224 -12.008 1.00 0.80 C ATOM 1654 CD1 PHE A 105 -0.250 1.410 -11.591 1.00 1.70 C ATOM 1655 CD2 PHE A 105 -0.367 -1.023 -11.601 1.00 1.86 C ATOM 1656 CE1 PHE A 105 0.916 1.360 -10.817 1.00 1.86 C ATOM 1657 CE2 PHE A 105 0.784 -1.071 -10.795 1.00 1.74 C ATOM 1658 CZ PHE A 105 1.429 0.117 -10.410 1.00 0.87 C ATOM 0 H PHE A 105 -3.908 -1.595 -12.238 1.00 0.93 H new ATOM 0 HA PHE A 105 -3.394 1.201 -11.470 1.00 0.90 H new ATOM 0 HB2 PHE A 105 -2.075 -0.572 -13.576 1.00 0.92 H new ATOM 0 HB3 PHE A 105 -1.923 1.174 -13.599 1.00 0.92 H new ATOM 0 HD1 PHE A 105 -0.669 2.366 -11.869 1.00 1.70 H new ATOM 0 HD2 PHE A 105 -0.856 -1.937 -11.906 1.00 1.86 H new ATOM 0 HE1 PHE A 105 1.419 2.273 -10.534 1.00 1.86 H new ATOM 0 HE2 PHE A 105 1.174 -2.024 -10.470 1.00 1.74 H new ATOM 0 HZ PHE A 105 2.320 0.074 -9.801 1.00 0.87 H new ATOM 1668 N ALA A 106 -4.943 2.110 -13.114 1.00 0.89 N ATOM 1669 CA ALA A 106 -5.746 2.897 -14.065 1.00 0.95 C ATOM 1670 C ALA A 106 -7.020 2.218 -14.629 1.00 1.40 C ATOM 1671 O ALA A 106 -7.559 2.679 -15.631 1.00 2.03 O ATOM 1672 CB ALA A 106 -4.806 3.372 -15.187 1.00 2.11 C ATOM 0 H ALA A 106 -4.780 2.621 -12.246 1.00 0.89 H new ATOM 0 HA ALA A 106 -6.166 3.731 -13.503 1.00 0.95 H new ATOM 0 HB1 ALA A 106 -5.371 3.960 -15.911 1.00 2.11 H new ATOM 0 HB2 ALA A 106 -4.012 3.986 -14.761 1.00 2.11 H new ATOM 0 HB3 ALA A 106 -4.368 2.507 -15.685 1.00 2.11 H new ATOM 1678 N GLY A 107 -7.456 1.079 -14.074 1.00 2.21 N ATOM 1679 CA GLY A 107 -8.496 0.219 -14.672 1.00 3.06 C ATOM 1680 C GLY A 107 -8.055 -0.518 -15.948 1.00 2.33 C ATOM 1681 O GLY A 107 -8.868 -1.200 -16.564 1.00 3.34 O ATOM 0 H GLY A 107 -7.096 0.722 -13.189 1.00 2.21 H new ATOM 0 HA2 GLY A 107 -8.811 -0.517 -13.932 1.00 3.06 H new ATOM 0 HA3 GLY A 107 -9.368 0.831 -14.904 1.00 3.06 H new ATOM 1685 N GLY A 108 -6.780 -0.387 -16.347 1.00 1.59 N ATOM 1686 CA GLY A 108 -6.250 -0.869 -17.633 1.00 1.52 C ATOM 1687 C GLY A 108 -4.975 -1.710 -17.550 1.00 1.39 C ATOM 1688 O GLY A 108 -4.518 -2.190 -18.587 1.00 1.80 O ATOM 0 H GLY A 108 -6.072 0.068 -15.771 1.00 1.59 H new ATOM 0 HA2 GLY A 108 -7.022 -1.460 -18.125 1.00 1.52 H new ATOM 0 HA3 GLY A 108 -6.054 -0.007 -18.271 1.00 1.52 H new ATOM 1692 N LYS A 109 -4.378 -1.873 -16.363 1.00 1.15 N ATOM 1693 CA LYS A 109 -3.240 -2.746 -16.049 1.00 1.16 C ATOM 1694 C LYS A 109 -3.378 -3.339 -14.630 1.00 1.11 C ATOM 1695 O LYS A 109 -4.005 -2.749 -13.755 1.00 1.08 O ATOM 1696 CB LYS A 109 -1.930 -1.928 -16.138 1.00 1.35 C ATOM 1697 CG LYS A 109 -0.907 -2.394 -17.183 1.00 1.90 C ATOM 1698 CD LYS A 109 -1.353 -2.383 -18.653 1.00 2.56 C ATOM 1699 CE LYS A 109 -1.717 -0.971 -19.141 1.00 3.05 C ATOM 1700 NZ LYS A 109 -2.631 -1.017 -20.311 1.00 4.10 N ATOM 0 H LYS A 109 -4.699 -1.363 -15.540 1.00 1.15 H new ATOM 0 HA LYS A 109 -3.220 -3.566 -16.767 1.00 1.16 H new ATOM 0 HB2 LYS A 109 -2.188 -0.891 -16.351 1.00 1.35 H new ATOM 0 HB3 LYS A 109 -1.450 -1.943 -15.159 1.00 1.35 H new ATOM 0 HG2 LYS A 109 -0.022 -1.765 -17.094 1.00 1.90 H new ATOM 0 HG3 LYS A 109 -0.603 -3.410 -16.929 1.00 1.90 H new ATOM 0 HD2 LYS A 109 -0.554 -2.786 -19.276 1.00 2.56 H new ATOM 0 HD3 LYS A 109 -2.214 -3.040 -18.774 1.00 2.56 H new ATOM 0 HE2 LYS A 109 -2.189 -0.416 -18.331 1.00 3.05 H new ATOM 0 HE3 LYS A 109 -0.808 -0.432 -19.409 1.00 3.05 H new ATOM 0 HZ1 LYS A 109 -2.802 -0.051 -20.656 1.00 4.10 H new ATOM 0 HZ2 LYS A 109 -2.198 -1.584 -21.068 1.00 4.10 H new ATOM 0 HZ3 LYS A 109 -3.534 -1.449 -20.029 1.00 4.10 H new ATOM 1714 N VAL A 110 -2.695 -4.453 -14.379 1.00 1.22 N ATOM 1715 CA VAL A 110 -2.435 -5.021 -13.057 1.00 1.19 C ATOM 1716 C VAL A 110 -1.064 -5.693 -13.105 1.00 1.26 C ATOM 1717 O VAL A 110 -0.738 -6.322 -14.113 1.00 1.40 O ATOM 1718 CB VAL A 110 -3.563 -5.985 -12.629 1.00 1.31 C ATOM 1719 CG1 VAL A 110 -3.883 -7.069 -13.672 1.00 1.54 C ATOM 1720 CG2 VAL A 110 -3.295 -6.655 -11.274 1.00 1.31 C ATOM 0 H VAL A 110 -2.287 -5.012 -15.128 1.00 1.22 H new ATOM 0 HA VAL A 110 -2.423 -4.240 -12.296 1.00 1.19 H new ATOM 0 HB VAL A 110 -4.435 -5.338 -12.538 1.00 1.31 H new ATOM 0 HG11 VAL A 110 -4.685 -7.707 -13.300 1.00 1.54 H new ATOM 0 HG12 VAL A 110 -4.197 -6.597 -14.603 1.00 1.54 H new ATOM 0 HG13 VAL A 110 -2.994 -7.673 -13.854 1.00 1.54 H new ATOM 0 HG21 VAL A 110 -4.122 -7.321 -11.027 1.00 1.31 H new ATOM 0 HG22 VAL A 110 -2.371 -7.230 -11.329 1.00 1.31 H new ATOM 0 HG23 VAL A 110 -3.202 -5.891 -10.502 1.00 1.31 H new ATOM 1730 N LEU A 111 -0.246 -5.483 -12.073 1.00 1.20 N ATOM 1731 CA LEU A 111 1.144 -5.935 -12.002 1.00 1.29 C ATOM 1732 C LEU A 111 1.370 -6.530 -10.615 1.00 1.41 C ATOM 1733 O LEU A 111 1.258 -5.813 -9.622 1.00 1.45 O ATOM 1734 CB LEU A 111 2.093 -4.740 -12.235 1.00 1.24 C ATOM 1735 CG LEU A 111 2.004 -4.063 -13.619 1.00 1.21 C ATOM 1736 CD1 LEU A 111 2.876 -2.798 -13.637 1.00 1.72 C ATOM 1737 CD2 LEU A 111 2.455 -4.997 -14.752 1.00 1.72 C ATOM 0 H LEU A 111 -0.542 -4.978 -11.238 1.00 1.20 H new ATOM 0 HA LEU A 111 1.346 -6.684 -12.768 1.00 1.29 H new ATOM 0 HB2 LEU A 111 1.892 -3.988 -11.472 1.00 1.24 H new ATOM 0 HB3 LEU A 111 3.117 -5.081 -12.085 1.00 1.24 H new ATOM 0 HG LEU A 111 0.958 -3.808 -13.787 1.00 1.21 H new ATOM 0 HD11 LEU A 111 2.809 -2.324 -14.616 1.00 1.72 H new ATOM 0 HD12 LEU A 111 2.526 -2.104 -12.873 1.00 1.72 H new ATOM 0 HD13 LEU A 111 3.912 -3.068 -13.434 1.00 1.72 H new ATOM 0 HD21 LEU A 111 2.375 -4.476 -15.706 1.00 1.72 H new ATOM 0 HD22 LEU A 111 3.490 -5.295 -14.587 1.00 1.72 H new ATOM 0 HD23 LEU A 111 1.820 -5.883 -14.767 1.00 1.72 H new ATOM 1749 N LYS A 112 1.650 -7.833 -10.517 1.00 1.54 N ATOM 1750 CA LYS A 112 1.690 -8.495 -9.215 1.00 1.53 C ATOM 1751 C LYS A 112 3.102 -8.758 -8.680 1.00 1.52 C ATOM 1752 O LYS A 112 4.010 -9.109 -9.431 1.00 1.68 O ATOM 1753 CB LYS A 112 0.704 -9.671 -9.188 1.00 1.55 C ATOM 1754 CG LYS A 112 1.219 -11.110 -9.101 1.00 1.86 C ATOM 1755 CD LYS A 112 -0.030 -11.975 -8.859 1.00 1.54 C ATOM 1756 CE LYS A 112 0.274 -13.317 -8.206 1.00 2.37 C ATOM 1757 NZ LYS A 112 -0.822 -13.655 -7.262 1.00 2.72 N ATOM 0 H LYS A 112 1.849 -8.440 -11.312 1.00 1.54 H new ATOM 0 HA LYS A 112 1.328 -7.797 -8.460 1.00 1.53 H new ATOM 0 HB2 LYS A 112 0.039 -9.515 -8.339 1.00 1.55 H new ATOM 0 HB3 LYS A 112 0.094 -9.601 -10.088 1.00 1.55 H new ATOM 0 HG2 LYS A 112 1.727 -11.402 -10.020 1.00 1.86 H new ATOM 0 HG3 LYS A 112 1.938 -11.222 -8.290 1.00 1.86 H new ATOM 0 HD2 LYS A 112 -0.727 -11.423 -8.228 1.00 1.54 H new ATOM 0 HD3 LYS A 112 -0.531 -12.149 -9.811 1.00 1.54 H new ATOM 0 HE2 LYS A 112 0.369 -14.093 -8.966 1.00 2.37 H new ATOM 0 HE3 LYS A 112 1.226 -13.271 -7.677 1.00 2.37 H new ATOM 0 HZ1 LYS A 112 -0.666 -14.608 -6.875 1.00 2.72 H new ATOM 0 HZ2 LYS A 112 -0.836 -12.964 -6.485 1.00 2.72 H new ATOM 0 HZ3 LYS A 112 -1.732 -13.630 -7.764 1.00 2.72 H new ATOM 1771 N VAL A 113 3.255 -8.586 -7.369 1.00 1.42 N ATOM 1772 CA VAL A 113 4.532 -8.649 -6.641 1.00 1.44 C ATOM 1773 C VAL A 113 4.397 -9.564 -5.420 1.00 1.44 C ATOM 1774 O VAL A 113 3.284 -9.936 -5.050 1.00 1.41 O ATOM 1775 CB VAL A 113 5.017 -7.238 -6.220 1.00 1.45 C ATOM 1776 CG1 VAL A 113 5.369 -6.376 -7.444 1.00 1.52 C ATOM 1777 CG2 VAL A 113 3.990 -6.492 -5.350 1.00 1.51 C ATOM 0 H VAL A 113 2.464 -8.391 -6.755 1.00 1.42 H new ATOM 0 HA VAL A 113 5.284 -9.065 -7.312 1.00 1.44 H new ATOM 0 HB VAL A 113 5.913 -7.399 -5.621 1.00 1.45 H new ATOM 0 HG11 VAL A 113 5.705 -5.394 -7.113 1.00 1.52 H new ATOM 0 HG12 VAL A 113 6.164 -6.859 -8.013 1.00 1.52 H new ATOM 0 HG13 VAL A 113 4.488 -6.264 -8.076 1.00 1.52 H new ATOM 0 HG21 VAL A 113 4.383 -5.510 -5.085 1.00 1.51 H new ATOM 0 HG22 VAL A 113 3.060 -6.373 -5.906 1.00 1.51 H new ATOM 0 HG23 VAL A 113 3.799 -7.064 -4.442 1.00 1.51 H new ATOM 1787 N VAL A 114 5.524 -9.924 -4.802 1.00 1.52 N ATOM 1788 CA VAL A 114 5.581 -10.651 -3.540 1.00 1.51 C ATOM 1789 C VAL A 114 6.186 -9.760 -2.459 1.00 1.45 C ATOM 1790 O VAL A 114 7.064 -8.948 -2.749 1.00 1.59 O ATOM 1791 CB VAL A 114 6.339 -11.974 -3.644 1.00 1.85 C ATOM 1792 CG1 VAL A 114 5.466 -13.057 -4.303 1.00 1.82 C ATOM 1793 CG2 VAL A 114 7.648 -11.797 -4.398 1.00 2.91 C ATOM 0 H VAL A 114 6.447 -9.710 -5.180 1.00 1.52 H new ATOM 0 HA VAL A 114 4.558 -10.911 -3.270 1.00 1.51 H new ATOM 0 HB VAL A 114 6.578 -12.303 -2.633 1.00 1.85 H new ATOM 0 HG11 VAL A 114 6.028 -13.989 -4.366 1.00 1.82 H new ATOM 0 HG12 VAL A 114 4.568 -13.214 -3.705 1.00 1.82 H new ATOM 0 HG13 VAL A 114 5.183 -12.736 -5.305 1.00 1.82 H new ATOM 0 HG21 VAL A 114 8.166 -12.754 -4.457 1.00 2.91 H new ATOM 0 HG22 VAL A 114 7.442 -11.434 -5.405 1.00 2.91 H new ATOM 0 HG23 VAL A 114 8.275 -11.076 -3.874 1.00 2.91 H new ATOM 1803 N LEU A 115 5.705 -9.893 -1.222 1.00 1.34 N ATOM 1804 CA LEU A 115 6.231 -9.167 -0.070 1.00 1.36 C ATOM 1805 C LEU A 115 5.942 -9.919 1.239 1.00 1.38 C ATOM 1806 O LEU A 115 4.807 -10.376 1.420 1.00 1.49 O ATOM 1807 CB LEU A 115 5.758 -7.706 -0.037 1.00 1.52 C ATOM 1808 CG LEU A 115 4.252 -7.438 -0.239 1.00 1.74 C ATOM 1809 CD1 LEU A 115 3.915 -6.132 0.476 1.00 2.31 C ATOM 1810 CD2 LEU A 115 3.876 -7.261 -1.713 1.00 2.26 C ATOM 0 H LEU A 115 4.930 -10.515 -0.992 1.00 1.34 H new ATOM 0 HA LEU A 115 7.315 -9.122 -0.176 1.00 1.36 H new ATOM 0 HB2 LEU A 115 6.049 -7.280 0.923 1.00 1.52 H new ATOM 0 HB3 LEU A 115 6.303 -7.159 -0.807 1.00 1.52 H new ATOM 0 HG LEU A 115 3.704 -8.295 0.152 1.00 1.74 H new ATOM 0 HD11 LEU A 115 2.854 -5.913 0.352 1.00 2.31 H new ATOM 0 HD12 LEU A 115 4.144 -6.229 1.537 1.00 2.31 H new ATOM 0 HD13 LEU A 115 4.505 -5.321 0.050 1.00 2.31 H new ATOM 0 HD21 LEU A 115 2.805 -7.075 -1.796 1.00 2.26 H new ATOM 0 HD22 LEU A 115 4.424 -6.416 -2.129 1.00 2.26 H new ATOM 0 HD23 LEU A 115 4.131 -8.166 -2.265 1.00 2.26 H new ATOM 1822 N PRO A 116 6.940 -10.073 2.133 1.00 1.36 N ATOM 1823 CA PRO A 116 6.828 -10.892 3.331 1.00 1.32 C ATOM 1824 C PRO A 116 5.832 -10.324 4.340 1.00 1.23 C ATOM 1825 O PRO A 116 5.639 -9.111 4.460 1.00 1.32 O ATOM 1826 CB PRO A 116 8.242 -10.980 3.920 1.00 1.49 C ATOM 1827 CG PRO A 116 8.917 -9.716 3.397 1.00 1.51 C ATOM 1828 CD PRO A 116 8.308 -9.591 2.006 1.00 1.42 C ATOM 0 HA PRO A 116 6.438 -11.879 3.082 1.00 1.32 H new ATOM 0 HB2 PRO A 116 8.223 -11.005 5.010 1.00 1.49 H new ATOM 0 HB3 PRO A 116 8.761 -11.880 3.589 1.00 1.49 H new ATOM 0 HG2 PRO A 116 8.698 -8.848 4.019 1.00 1.51 H new ATOM 0 HG3 PRO A 116 10.002 -9.817 3.361 1.00 1.51 H new ATOM 0 HD2 PRO A 116 8.329 -8.557 1.660 1.00 1.42 H new ATOM 0 HD3 PRO A 116 8.866 -10.182 1.279 1.00 1.42 H new ATOM 1836 N VAL A 117 5.222 -11.226 5.104 1.00 1.13 N ATOM 1837 CA VAL A 117 4.456 -10.906 6.300 1.00 1.13 C ATOM 1838 C VAL A 117 5.426 -10.765 7.474 1.00 1.26 C ATOM 1839 O VAL A 117 6.032 -11.739 7.931 1.00 1.61 O ATOM 1840 CB VAL A 117 3.372 -11.968 6.544 1.00 1.09 C ATOM 1841 CG1 VAL A 117 2.693 -11.794 7.904 1.00 1.17 C ATOM 1842 CG2 VAL A 117 2.302 -11.847 5.451 1.00 1.14 C ATOM 0 H VAL A 117 5.249 -12.225 4.901 1.00 1.13 H new ATOM 0 HA VAL A 117 3.930 -9.959 6.179 1.00 1.13 H new ATOM 0 HB VAL A 117 3.854 -12.945 6.524 1.00 1.09 H new ATOM 0 HG11 VAL A 117 1.934 -12.566 8.033 1.00 1.17 H new ATOM 0 HG12 VAL A 117 3.437 -11.880 8.696 1.00 1.17 H new ATOM 0 HG13 VAL A 117 2.223 -10.812 7.953 1.00 1.17 H new ATOM 0 HG21 VAL A 117 1.528 -12.597 5.615 1.00 1.14 H new ATOM 0 HG22 VAL A 117 1.857 -10.852 5.486 1.00 1.14 H new ATOM 0 HG23 VAL A 117 2.760 -12.006 4.475 1.00 1.14 H new ATOM 1852 N GLU A 118 5.528 -9.522 7.942 1.00 1.06 N ATOM 1853 CA GLU A 118 6.327 -9.020 9.058 1.00 1.21 C ATOM 1854 C GLU A 118 5.406 -8.220 10.004 1.00 1.35 C ATOM 1855 O GLU A 118 4.187 -8.304 9.869 1.00 1.47 O ATOM 1856 CB GLU A 118 7.493 -8.175 8.517 1.00 1.31 C ATOM 1857 CG GLU A 118 8.378 -9.010 7.582 1.00 1.76 C ATOM 1858 CD GLU A 118 9.649 -8.260 7.222 1.00 2.40 C ATOM 1859 OE1 GLU A 118 10.514 -8.159 8.117 1.00 2.66 O ATOM 1860 OE2 GLU A 118 9.742 -7.802 6.066 1.00 3.74 O ATOM 0 H GLU A 118 5.000 -8.766 7.505 1.00 1.06 H new ATOM 0 HA GLU A 118 6.764 -9.840 9.627 1.00 1.21 H new ATOM 0 HB2 GLU A 118 7.104 -7.309 7.981 1.00 1.31 H new ATOM 0 HB3 GLU A 118 8.089 -7.795 9.347 1.00 1.31 H new ATOM 0 HG2 GLU A 118 8.633 -9.954 8.064 1.00 1.76 H new ATOM 0 HG3 GLU A 118 7.826 -9.254 6.674 1.00 1.76 H new ATOM 1867 N ALA A 119 5.937 -7.491 10.993 1.00 1.75 N ATOM 1868 CA ALA A 119 5.142 -7.045 12.148 1.00 1.89 C ATOM 1869 C ALA A 119 5.409 -5.595 12.610 1.00 2.05 C ATOM 1870 O ALA A 119 5.664 -5.362 13.794 1.00 2.62 O ATOM 1871 CB ALA A 119 5.339 -8.092 13.258 1.00 2.09 C ATOM 0 H ALA A 119 6.913 -7.197 11.018 1.00 1.75 H new ATOM 0 HA ALA A 119 4.094 -6.989 11.855 1.00 1.89 H new ATOM 0 HB1 ALA A 119 4.765 -7.801 14.138 1.00 2.09 H new ATOM 0 HB2 ALA A 119 4.996 -9.065 12.906 1.00 2.09 H new ATOM 0 HB3 ALA A 119 6.396 -8.153 13.518 1.00 2.09 H new ATOM 1877 N ARG A 120 5.328 -4.609 11.700 1.00 1.94 N ATOM 1878 CA ARG A 120 5.533 -3.175 12.027 1.00 2.15 C ATOM 1879 C ARG A 120 4.930 -2.190 11.025 1.00 2.38 C ATOM 1880 O ARG A 120 4.143 -1.348 11.504 1.00 2.84 O ATOM 1881 CB ARG A 120 7.025 -2.874 12.260 1.00 2.61 C ATOM 1882 CG ARG A 120 7.204 -1.395 12.632 1.00 3.96 C ATOM 1883 CD ARG A 120 8.604 -1.083 13.161 1.00 4.54 C ATOM 1884 NE ARG A 120 8.757 0.361 13.424 1.00 5.58 N ATOM 1885 CZ ARG A 120 8.285 1.039 14.454 1.00 7.19 C ATOM 1886 NH1 ARG A 120 7.645 0.473 15.438 1.00 8.11 N ATOM 1887 NH2 ARG A 120 8.450 2.329 14.518 1.00 8.37 N ATOM 1888 OXT ARG A 120 5.250 -2.296 9.826 1.00 3.06 O ATOM 0 H ARG A 120 5.119 -4.777 10.716 1.00 1.94 H new ATOM 0 HA ARG A 120 4.976 -3.014 12.950 1.00 2.15 H new ATOM 0 HB2 ARG A 120 7.414 -3.509 13.056 1.00 2.61 H new ATOM 0 HB3 ARG A 120 7.597 -3.104 11.361 1.00 2.61 H new ATOM 0 HG2 ARG A 120 7.006 -0.778 11.756 1.00 3.96 H new ATOM 0 HG3 ARG A 120 6.466 -1.123 13.387 1.00 3.96 H new ATOM 0 HD2 ARG A 120 8.785 -1.645 14.077 1.00 4.54 H new ATOM 0 HD3 ARG A 120 9.351 -1.406 12.436 1.00 4.54 H new ATOM 0 HE ARG A 120 9.286 0.894 12.734 1.00 5.58 H new ATOM 0 HH11 ARG A 120 7.491 -0.535 15.433 1.00 8.11 H new ATOM 0 HH12 ARG A 120 7.298 1.038 16.213 1.00 8.11 H new ATOM 0 HH21 ARG A 120 8.945 2.818 13.772 1.00 8.37 H new ATOM 0 HH22 ARG A 120 8.085 2.851 15.315 1.00 8.37 H new