USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 809 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 29 TYR OH : rot 140:sc= 0.264 USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= -0.152 USER MOD Set 2.1: A 57 CYS SG : rot 60:sc= 0.703 USER MOD Set 2.2: A 89 HIS : no HD1:sc= -0.357 K(o=0.35,f=-3.3!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0145) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.0261 F(o=-1.8,f=-0.026) USER MOD Single : A 30 LYS NZ :NH3+ 162:sc= -0.0304 (180deg=-0.207) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.292 K(o=0.29,f=-5!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-1.5e-05) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.364 USER MOD Single : A 54 SER OG : rot 180:sc= 0.128 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.041 X(o=-0.041,f=-0.37) USER MOD Single : A 70 THR OG1 : rot 63:sc= 0.0998 USER MOD Single : A 72 SER OG : rot 180:sc= 0.276 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 130:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.122 K(o=-0.12,f=-4.6!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -62:sc= 0.706 USER MOD Single : A 90 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.081) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.113) USER MOD Single : A 103 LYS NZ :NH3+ -137:sc= 1.12 (180deg=0.0569) USER MOD ----------------------------------------------------------------- ATOM 63 N ARG A 7 6.945 6.064 -4.195 1.00 52.54 N ATOM 64 CA ARG A 7 8.155 5.786 -3.431 1.00 61.04 C ATOM 65 C ARG A 7 8.627 4.354 -3.664 1.00 70.05 C ATOM 66 O ARG A 7 9.810 4.047 -3.516 1.00 22.30 O ATOM 67 CB ARG A 7 7.907 6.017 -1.940 1.00 42.34 C ATOM 68 CG ARG A 7 9.134 5.781 -1.075 1.00 41.00 C ATOM 69 CD ARG A 7 9.461 7.001 -0.228 1.00 61.30 C ATOM 70 NE ARG A 7 10.359 7.922 -0.919 1.00 52.31 N ATOM 71 CZ ARG A 7 11.024 8.896 -0.309 1.00 10.41 C ATOM 72 NH1 ARG A 7 10.895 9.074 0.999 1.00 43.23 N ATOM 73 NH2 ARG A 7 11.823 9.695 -1.007 1.00 35.22 N ATOM 0 HA ARG A 7 8.935 6.467 -3.772 1.00 61.04 H new ATOM 0 HB2 ARG A 7 7.560 7.040 -1.792 1.00 42.34 H new ATOM 0 HB3 ARG A 7 7.106 5.357 -1.607 1.00 42.34 H new ATOM 0 HG2 ARG A 7 8.964 4.922 -0.427 1.00 41.00 H new ATOM 0 HG3 ARG A 7 9.986 5.538 -1.709 1.00 41.00 H new ATOM 0 HD2 ARG A 7 8.538 7.520 0.031 1.00 61.30 H new ATOM 0 HD3 ARG A 7 9.920 6.681 0.707 1.00 61.30 H new ATOM 0 HE ARG A 7 10.482 7.811 -1.925 1.00 52.31 H new ATOM 0 HH11 ARG A 7 10.284 8.462 1.539 1.00 43.23 H new ATOM 0 HH12 ARG A 7 11.407 9.823 1.465 1.00 43.23 H new ATOM 0 HH21 ARG A 7 11.926 9.561 -2.013 1.00 35.22 H new ATOM 0 HH22 ARG A 7 12.333 10.443 -0.537 1.00 35.22 H new ATOM 87 N LEU A 8 7.694 3.481 -4.027 1.00 62.22 N ATOM 88 CA LEU A 8 8.013 2.080 -4.280 1.00 24.14 C ATOM 89 C LEU A 8 8.567 1.893 -5.688 1.00 61.15 C ATOM 90 O LEU A 8 8.432 2.771 -6.541 1.00 61.31 O ATOM 91 CB LEU A 8 6.770 1.211 -4.089 1.00 60.12 C ATOM 92 CG LEU A 8 6.134 1.245 -2.699 1.00 20.52 C ATOM 93 CD1 LEU A 8 4.995 0.239 -2.608 1.00 45.11 C ATOM 94 CD2 LEU A 8 7.179 0.967 -1.628 1.00 63.12 C ATOM 0 H LEU A 8 6.710 3.718 -4.153 1.00 62.22 H new ATOM 0 HA LEU A 8 8.777 1.772 -3.566 1.00 24.14 H new ATOM 0 HB2 LEU A 8 6.020 1.520 -4.817 1.00 60.12 H new ATOM 0 HB3 LEU A 8 7.034 0.179 -4.321 1.00 60.12 H new ATOM 0 HG LEU A 8 5.726 2.242 -2.531 1.00 20.52 H new ATOM 0 HD11 LEU A 8 4.554 0.277 -1.612 1.00 45.11 H new ATOM 0 HD12 LEU A 8 4.235 0.482 -3.351 1.00 45.11 H new ATOM 0 HD13 LEU A 8 5.379 -0.764 -2.796 1.00 45.11 H new ATOM 0 HD21 LEU A 8 6.709 0.995 -0.645 1.00 63.12 H new ATOM 0 HD22 LEU A 8 7.616 -0.018 -1.793 1.00 63.12 H new ATOM 0 HD23 LEU A 8 7.961 1.724 -1.678 1.00 63.12 H new ATOM 106 N SER A 9 9.189 0.743 -5.926 1.00 62.14 N ATOM 107 CA SER A 9 9.765 0.441 -7.232 1.00 63.24 C ATOM 108 C SER A 9 9.455 -0.995 -7.644 1.00 42.32 C ATOM 109 O SER A 9 8.743 -1.713 -6.944 1.00 4.20 O ATOM 110 CB SER A 9 11.279 0.661 -7.209 1.00 30.13 C ATOM 111 OG SER A 9 11.657 1.500 -6.131 1.00 14.23 O ATOM 0 H SER A 9 9.307 0.005 -5.232 1.00 62.14 H new ATOM 0 HA SER A 9 9.318 1.115 -7.963 1.00 63.24 H new ATOM 0 HB2 SER A 9 11.788 -0.299 -7.122 1.00 30.13 H new ATOM 0 HB3 SER A 9 11.599 1.107 -8.151 1.00 30.13 H new ATOM 0 HG SER A 9 12.629 1.623 -6.138 1.00 14.23 H new ATOM 117 N GLY A 10 9.995 -1.405 -8.788 1.00 30.14 N ATOM 118 CA GLY A 10 9.764 -2.753 -9.275 1.00 30.23 C ATOM 119 C GLY A 10 10.027 -3.805 -8.216 1.00 34.02 C ATOM 120 O GLY A 10 9.252 -4.749 -8.063 1.00 64.34 O ATOM 0 H GLY A 10 10.588 -0.829 -9.386 1.00 30.14 H new ATOM 0 HA2 GLY A 10 8.734 -2.840 -9.621 1.00 30.23 H new ATOM 0 HA3 GLY A 10 10.406 -2.940 -10.136 1.00 30.23 H new ATOM 124 N GLY A 11 11.122 -3.643 -7.481 1.00 22.31 N ATOM 125 CA GLY A 11 11.466 -4.595 -6.440 1.00 45.13 C ATOM 126 C GLY A 11 10.358 -4.765 -5.421 1.00 15.32 C ATOM 127 O GLY A 11 9.843 -5.866 -5.233 1.00 32.41 O ATOM 0 H GLY A 11 11.778 -2.869 -7.587 1.00 22.31 H new ATOM 0 HA2 GLY A 11 11.689 -5.560 -6.894 1.00 45.13 H new ATOM 0 HA3 GLY A 11 12.373 -4.264 -5.934 1.00 45.13 H new ATOM 131 N GLU A 12 9.991 -3.671 -4.760 1.00 74.50 N ATOM 132 CA GLU A 12 8.938 -3.706 -3.752 1.00 14.21 C ATOM 133 C GLU A 12 7.586 -4.016 -4.388 1.00 61.31 C ATOM 134 O GLU A 12 6.660 -4.473 -3.715 1.00 64.35 O ATOM 135 CB GLU A 12 8.869 -2.371 -3.007 1.00 65.04 C ATOM 136 CG GLU A 12 9.022 -2.505 -1.502 1.00 21.20 C ATOM 137 CD GLU A 12 10.408 -2.124 -1.020 1.00 13.05 C ATOM 138 OE1 GLU A 12 11.295 -3.003 -1.007 1.00 11.32 O ATOM 139 OE2 GLU A 12 10.606 -0.946 -0.655 1.00 33.35 O ATOM 0 H GLU A 12 10.407 -2.751 -4.904 1.00 74.50 H new ATOM 0 HA GLU A 12 9.177 -4.498 -3.042 1.00 14.21 H new ATOM 0 HB2 GLU A 12 9.651 -1.712 -3.386 1.00 65.04 H new ATOM 0 HB3 GLU A 12 7.915 -1.892 -3.225 1.00 65.04 H new ATOM 0 HG2 GLU A 12 8.283 -1.874 -1.008 1.00 21.20 H new ATOM 0 HG3 GLU A 12 8.810 -3.533 -1.209 1.00 21.20 H new ATOM 146 N LEU A 13 7.478 -3.763 -5.688 1.00 24.10 N ATOM 147 CA LEU A 13 6.240 -4.014 -6.416 1.00 55.32 C ATOM 148 C LEU A 13 5.964 -5.510 -6.523 1.00 32.25 C ATOM 149 O LEU A 13 4.818 -5.931 -6.678 1.00 33.22 O ATOM 150 CB LEU A 13 6.313 -3.397 -7.814 1.00 43.22 C ATOM 151 CG LEU A 13 5.057 -3.537 -8.676 1.00 64.11 C ATOM 152 CD1 LEU A 13 3.948 -2.640 -8.151 1.00 53.32 C ATOM 153 CD2 LEU A 13 5.369 -3.208 -10.129 1.00 72.42 C ATOM 0 H LEU A 13 8.233 -3.384 -6.259 1.00 24.10 H new ATOM 0 HA LEU A 13 5.423 -3.551 -5.863 1.00 55.32 H new ATOM 0 HB2 LEU A 13 6.541 -2.336 -7.710 1.00 43.22 H new ATOM 0 HB3 LEU A 13 7.148 -3.852 -8.347 1.00 43.22 H new ATOM 0 HG LEU A 13 4.716 -4.571 -8.623 1.00 64.11 H new ATOM 0 HD11 LEU A 13 3.062 -2.753 -8.776 1.00 53.32 H new ATOM 0 HD12 LEU A 13 3.707 -2.922 -7.126 1.00 53.32 H new ATOM 0 HD13 LEU A 13 4.279 -1.602 -8.174 1.00 53.32 H new ATOM 0 HD21 LEU A 13 4.464 -3.313 -10.728 1.00 72.42 H new ATOM 0 HD22 LEU A 13 5.735 -2.184 -10.200 1.00 72.42 H new ATOM 0 HD23 LEU A 13 6.132 -3.892 -10.501 1.00 72.42 H new ATOM 165 N ASP A 14 7.022 -6.309 -6.435 1.00 72.41 N ATOM 166 CA ASP A 14 6.894 -7.759 -6.518 1.00 34.32 C ATOM 167 C ASP A 14 6.115 -8.305 -5.324 1.00 74.33 C ATOM 168 O ASP A 14 5.290 -9.208 -5.468 1.00 54.11 O ATOM 169 CB ASP A 14 8.275 -8.412 -6.581 1.00 41.14 C ATOM 170 CG ASP A 14 8.394 -9.405 -7.721 1.00 22.11 C ATOM 171 OD1 ASP A 14 7.443 -10.187 -7.928 1.00 53.42 O ATOM 172 OD2 ASP A 14 9.439 -9.402 -8.405 1.00 24.14 O ATOM 0 H ASP A 14 7.978 -5.977 -6.306 1.00 72.41 H new ATOM 0 HA ASP A 14 6.345 -7.998 -7.429 1.00 34.32 H new ATOM 0 HB2 ASP A 14 9.035 -7.639 -6.696 1.00 41.14 H new ATOM 0 HB3 ASP A 14 8.477 -8.920 -5.638 1.00 41.14 H new ATOM 177 N LYS A 15 6.382 -7.752 -4.147 1.00 20.15 N ATOM 178 CA LYS A 15 5.707 -8.183 -2.927 1.00 42.54 C ATOM 179 C LYS A 15 4.328 -7.539 -2.814 1.00 23.01 C ATOM 180 O LYS A 15 3.361 -8.189 -2.415 1.00 3.42 O ATOM 181 CB LYS A 15 6.550 -7.828 -1.701 1.00 12.24 C ATOM 182 CG LYS A 15 7.211 -9.030 -1.049 1.00 11.52 C ATOM 183 CD LYS A 15 8.181 -9.716 -1.997 1.00 14.31 C ATOM 184 CE LYS A 15 9.332 -10.364 -1.245 1.00 3.33 C ATOM 185 NZ LYS A 15 8.860 -11.435 -0.324 1.00 24.40 N ATOM 0 H LYS A 15 7.061 -7.004 -4.011 1.00 20.15 H new ATOM 0 HA LYS A 15 5.582 -9.265 -2.972 1.00 42.54 H new ATOM 0 HB2 LYS A 15 7.320 -7.115 -1.994 1.00 12.24 H new ATOM 0 HB3 LYS A 15 5.917 -7.329 -0.967 1.00 12.24 H new ATOM 0 HG2 LYS A 15 7.742 -8.712 -0.151 1.00 11.52 H new ATOM 0 HG3 LYS A 15 6.447 -9.740 -0.733 1.00 11.52 H new ATOM 0 HD2 LYS A 15 7.652 -10.473 -2.576 1.00 14.31 H new ATOM 0 HD3 LYS A 15 8.573 -8.988 -2.707 1.00 14.31 H new ATOM 0 HE2 LYS A 15 10.041 -10.785 -1.958 1.00 3.33 H new ATOM 0 HE3 LYS A 15 9.867 -9.604 -0.675 1.00 3.33 H new ATOM 0 HZ1 LYS A 15 9.680 -11.920 0.093 1.00 24.40 H new ATOM 0 HZ2 LYS A 15 8.285 -11.013 0.433 1.00 24.40 H new ATOM 0 HZ3 LYS A 15 8.285 -12.121 -0.854 1.00 24.40 H new ATOM 199 N TRP A 16 4.246 -6.261 -3.167 1.00 20.44 N ATOM 200 CA TRP A 16 2.984 -5.532 -3.105 1.00 43.12 C ATOM 201 C TRP A 16 1.914 -6.223 -3.942 1.00 62.13 C ATOM 202 O TRP A 16 0.743 -6.253 -3.566 1.00 65.12 O ATOM 203 CB TRP A 16 3.179 -4.094 -3.590 1.00 0.03 C ATOM 204 CG TRP A 16 1.903 -3.312 -3.656 1.00 1.24 C ATOM 205 CD1 TRP A 16 1.325 -2.779 -4.772 1.00 62.33 C ATOM 206 CD2 TRP A 16 1.048 -2.973 -2.559 1.00 32.42 C ATOM 207 NE1 TRP A 16 0.162 -2.129 -4.435 1.00 50.02 N ATOM 208 CE2 TRP A 16 -0.031 -2.234 -3.084 1.00 25.01 C ATOM 209 CE3 TRP A 16 1.087 -3.223 -1.184 1.00 42.11 C ATOM 210 CZ2 TRP A 16 -1.058 -1.744 -2.281 1.00 44.21 C ATOM 211 CZ3 TRP A 16 0.067 -2.736 -0.389 1.00 33.32 C ATOM 212 CH2 TRP A 16 -0.993 -2.004 -0.940 1.00 15.44 C ATOM 0 H TRP A 16 5.037 -5.709 -3.499 1.00 20.44 H new ATOM 0 HA TRP A 16 2.652 -5.517 -2.067 1.00 43.12 H new ATOM 0 HB2 TRP A 16 3.875 -3.585 -2.924 1.00 0.03 H new ATOM 0 HB3 TRP A 16 3.638 -4.111 -4.578 1.00 0.03 H new ATOM 0 HD1 TRP A 16 1.723 -2.857 -5.773 1.00 62.33 H new ATOM 0 HE1 TRP A 16 -0.457 -1.646 -5.086 1.00 50.02 H new ATOM 0 HE3 TRP A 16 1.900 -3.787 -0.751 1.00 42.11 H new ATOM 0 HZ2 TRP A 16 -1.876 -1.179 -2.702 1.00 44.21 H new ATOM 0 HZ3 TRP A 16 0.087 -2.923 0.675 1.00 33.32 H new ATOM 0 HH2 TRP A 16 -1.775 -1.637 -0.292 1.00 15.44 H new ATOM 223 N GLU A 17 2.324 -6.777 -5.080 1.00 22.34 N ATOM 224 CA GLU A 17 1.399 -7.468 -5.970 1.00 32.23 C ATOM 225 C GLU A 17 1.274 -8.940 -5.590 1.00 64.52 C ATOM 226 O GLU A 17 0.483 -9.680 -6.175 1.00 31.51 O ATOM 227 CB GLU A 17 1.862 -7.342 -7.423 1.00 3.35 C ATOM 228 CG GLU A 17 1.679 -5.948 -8.001 1.00 20.23 C ATOM 229 CD GLU A 17 1.487 -5.963 -9.505 1.00 51.11 C ATOM 230 OE1 GLU A 17 2.174 -6.753 -10.184 1.00 43.31 O ATOM 231 OE2 GLU A 17 0.647 -5.182 -10.003 1.00 23.45 O ATOM 0 H GLU A 17 3.290 -6.760 -5.406 1.00 22.34 H new ATOM 0 HA GLU A 17 0.420 -7.000 -5.867 1.00 32.23 H new ATOM 0 HB2 GLU A 17 2.915 -7.617 -7.485 1.00 3.35 H new ATOM 0 HB3 GLU A 17 1.310 -8.055 -8.035 1.00 3.35 H new ATOM 0 HG2 GLU A 17 0.816 -5.475 -7.533 1.00 20.23 H new ATOM 0 HG3 GLU A 17 2.549 -5.339 -7.755 1.00 20.23 H new ATOM 238 N LYS A 18 2.063 -9.361 -4.606 1.00 42.40 N ATOM 239 CA LYS A 18 2.044 -10.743 -4.146 1.00 73.41 C ATOM 240 C LYS A 18 0.877 -10.983 -3.194 1.00 74.50 C ATOM 241 O LYS A 18 0.443 -12.120 -3.004 1.00 53.41 O ATOM 242 CB LYS A 18 3.363 -11.091 -3.451 1.00 54.33 C ATOM 243 CG LYS A 18 3.743 -12.556 -3.567 1.00 12.02 C ATOM 244 CD LYS A 18 3.540 -13.290 -2.251 1.00 71.23 C ATOM 245 CE LYS A 18 4.863 -13.557 -1.552 1.00 63.12 C ATOM 246 NZ LYS A 18 4.770 -13.329 -0.083 1.00 24.24 N ATOM 0 H LYS A 18 2.724 -8.762 -4.112 1.00 42.40 H new ATOM 0 HA LYS A 18 1.919 -11.387 -5.016 1.00 73.41 H new ATOM 0 HB2 LYS A 18 4.160 -10.483 -3.878 1.00 54.33 H new ATOM 0 HB3 LYS A 18 3.289 -10.826 -2.396 1.00 54.33 H new ATOM 0 HG2 LYS A 18 3.143 -13.028 -4.345 1.00 12.02 H new ATOM 0 HG3 LYS A 18 4.785 -12.639 -3.874 1.00 12.02 H new ATOM 0 HD2 LYS A 18 2.896 -12.700 -1.600 1.00 71.23 H new ATOM 0 HD3 LYS A 18 3.028 -14.234 -2.435 1.00 71.23 H new ATOM 0 HE2 LYS A 18 5.173 -14.585 -1.741 1.00 63.12 H new ATOM 0 HE3 LYS A 18 5.633 -12.910 -1.972 1.00 63.12 H new ATOM 0 HZ1 LYS A 18 5.692 -13.522 0.357 1.00 24.24 H new ATOM 0 HZ2 LYS A 18 4.499 -12.341 0.099 1.00 24.24 H new ATOM 0 HZ3 LYS A 18 4.053 -13.965 0.322 1.00 24.24 H new ATOM 260 N ILE A 19 0.372 -9.907 -2.600 1.00 2.13 N ATOM 261 CA ILE A 19 -0.746 -10.001 -1.670 1.00 62.41 C ATOM 262 C ILE A 19 -2.075 -10.079 -2.414 1.00 61.52 C ATOM 263 O ILE A 19 -2.395 -9.212 -3.227 1.00 3.25 O ATOM 264 CB ILE A 19 -0.779 -8.801 -0.706 1.00 74.22 C ATOM 265 CG1 ILE A 19 0.535 -8.704 0.069 1.00 25.02 C ATOM 266 CG2 ILE A 19 -1.957 -8.922 0.250 1.00 44.51 C ATOM 267 CD1 ILE A 19 1.420 -7.564 -0.381 1.00 43.31 C ATOM 0 H ILE A 19 0.720 -8.959 -2.747 1.00 2.13 H new ATOM 0 HA ILE A 19 -0.601 -10.915 -1.094 1.00 62.41 H new ATOM 0 HB ILE A 19 -0.902 -7.889 -1.290 1.00 74.22 H new ATOM 0 HG12 ILE A 19 0.314 -8.584 1.130 1.00 25.02 H new ATOM 0 HG13 ILE A 19 1.081 -9.641 -0.039 1.00 25.02 H new ATOM 0 HG21 ILE A 19 -1.967 -8.066 0.925 1.00 44.51 H new ATOM 0 HG22 ILE A 19 -2.886 -8.946 -0.319 1.00 44.51 H new ATOM 0 HG23 ILE A 19 -1.863 -9.840 0.829 1.00 44.51 H new ATOM 0 HD11 ILE A 19 2.334 -7.557 0.213 1.00 43.31 H new ATOM 0 HD12 ILE A 19 1.672 -7.693 -1.434 1.00 43.31 H new ATOM 0 HD13 ILE A 19 0.893 -6.619 -0.247 1.00 43.31 H new ATOM 279 N ARG A 20 -2.846 -11.123 -2.130 1.00 22.41 N ATOM 280 CA ARG A 20 -4.141 -11.314 -2.772 1.00 24.13 C ATOM 281 C ARG A 20 -5.252 -10.654 -1.960 1.00 70.54 C ATOM 282 O ARG A 20 -5.323 -10.812 -0.741 1.00 50.41 O ATOM 283 CB ARG A 20 -4.436 -12.806 -2.940 1.00 23.53 C ATOM 284 CG ARG A 20 -3.455 -13.521 -3.854 1.00 71.24 C ATOM 285 CD ARG A 20 -4.059 -14.789 -4.438 1.00 11.25 C ATOM 286 NE ARG A 20 -3.708 -15.972 -3.658 1.00 24.23 N ATOM 287 CZ ARG A 20 -2.488 -16.497 -3.627 1.00 13.33 C ATOM 288 NH1 ARG A 20 -1.508 -15.944 -4.328 1.00 22.53 N ATOM 289 NH2 ARG A 20 -2.246 -17.574 -2.893 1.00 21.43 N ATOM 0 H ARG A 20 -2.596 -11.850 -1.459 1.00 22.41 H new ATOM 0 HA ARG A 20 -4.104 -10.845 -3.755 1.00 24.13 H new ATOM 0 HB2 ARG A 20 -4.421 -13.283 -1.960 1.00 23.53 H new ATOM 0 HB3 ARG A 20 -5.444 -12.926 -3.338 1.00 23.53 H new ATOM 0 HG2 ARG A 20 -3.156 -12.853 -4.662 1.00 71.24 H new ATOM 0 HG3 ARG A 20 -2.552 -13.770 -3.296 1.00 71.24 H new ATOM 0 HD2 ARG A 20 -5.144 -14.689 -4.477 1.00 11.25 H new ATOM 0 HD3 ARG A 20 -3.714 -14.916 -5.464 1.00 11.25 H new ATOM 0 HE ARG A 20 -4.440 -16.420 -3.106 1.00 24.23 H new ATOM 0 HH11 ARG A 20 -1.690 -15.114 -4.892 1.00 22.53 H new ATOM 0 HH12 ARG A 20 -0.572 -16.348 -4.303 1.00 22.53 H new ATOM 0 HH21 ARG A 20 -2.997 -18.001 -2.351 1.00 21.43 H new ATOM 0 HH22 ARG A 20 -1.309 -17.976 -2.870 1.00 21.43 H new ATOM 303 N LEU A 21 -6.117 -9.914 -2.646 1.00 10.11 N ATOM 304 CA LEU A 21 -7.225 -9.229 -1.989 1.00 51.44 C ATOM 305 C LEU A 21 -8.112 -10.219 -1.244 1.00 14.24 C ATOM 306 O LEU A 21 -8.499 -9.982 -0.098 1.00 2.11 O ATOM 307 CB LEU A 21 -8.054 -8.458 -3.018 1.00 11.44 C ATOM 308 CG LEU A 21 -7.283 -7.478 -3.904 1.00 2.22 C ATOM 309 CD1 LEU A 21 -8.240 -6.685 -4.782 1.00 25.14 C ATOM 310 CD2 LEU A 21 -6.437 -6.542 -3.053 1.00 70.23 C ATOM 0 H LEU A 21 -6.072 -9.773 -3.655 1.00 10.11 H new ATOM 0 HA LEU A 21 -6.809 -8.527 -1.266 1.00 51.44 H new ATOM 0 HB2 LEU A 21 -8.559 -9.179 -3.662 1.00 11.44 H new ATOM 0 HB3 LEU A 21 -8.830 -7.905 -2.489 1.00 11.44 H new ATOM 0 HG LEU A 21 -6.618 -8.049 -4.551 1.00 2.22 H new ATOM 0 HD11 LEU A 21 -7.673 -5.993 -5.405 1.00 25.14 H new ATOM 0 HD12 LEU A 21 -8.802 -7.369 -5.418 1.00 25.14 H new ATOM 0 HD13 LEU A 21 -8.931 -6.124 -4.153 1.00 25.14 H new ATOM 0 HD21 LEU A 21 -5.895 -5.852 -3.700 1.00 70.23 H new ATOM 0 HD22 LEU A 21 -7.083 -5.978 -2.381 1.00 70.23 H new ATOM 0 HD23 LEU A 21 -5.726 -7.125 -2.468 1.00 70.23 H new ATOM 322 N ARG A 22 -8.432 -11.331 -1.899 1.00 11.42 N ATOM 323 CA ARG A 22 -9.273 -12.358 -1.297 1.00 3.21 C ATOM 324 C ARG A 22 -8.443 -13.573 -0.892 1.00 51.51 C ATOM 325 O ARG A 22 -7.339 -13.794 -1.391 1.00 40.40 O ATOM 326 CB ARG A 22 -10.374 -12.780 -2.271 1.00 64.01 C ATOM 327 CG ARG A 22 -11.702 -12.081 -2.031 1.00 23.15 C ATOM 328 CD ARG A 22 -12.126 -11.260 -3.238 1.00 12.13 C ATOM 329 NE ARG A 22 -13.218 -10.344 -2.920 1.00 1.30 N ATOM 330 CZ ARG A 22 -14.493 -10.712 -2.859 1.00 1.10 C ATOM 331 NH1 ARG A 22 -14.833 -11.972 -3.092 1.00 0.54 N ATOM 332 NH2 ARG A 22 -15.429 -9.820 -2.564 1.00 22.15 N ATOM 0 H ARG A 22 -8.121 -11.543 -2.847 1.00 11.42 H new ATOM 0 HA ARG A 22 -9.731 -11.938 -0.401 1.00 3.21 H new ATOM 0 HB2 ARG A 22 -10.044 -12.575 -3.289 1.00 64.01 H new ATOM 0 HB3 ARG A 22 -10.521 -13.857 -2.195 1.00 64.01 H new ATOM 0 HG2 ARG A 22 -12.469 -12.822 -1.806 1.00 23.15 H new ATOM 0 HG3 ARG A 22 -11.620 -11.432 -1.159 1.00 23.15 H new ATOM 0 HD2 ARG A 22 -11.272 -10.692 -3.608 1.00 12.13 H new ATOM 0 HD3 ARG A 22 -12.436 -11.929 -4.041 1.00 12.13 H new ATOM 0 HE ARG A 22 -12.989 -9.368 -2.734 1.00 1.30 H new ATOM 0 HH11 ARG A 22 -14.115 -12.660 -3.318 1.00 0.54 H new ATOM 0 HH12 ARG A 22 -15.812 -12.253 -3.045 1.00 0.54 H new ATOM 0 HH21 ARG A 22 -15.170 -8.850 -2.384 1.00 22.15 H new ATOM 0 HH22 ARG A 22 -16.408 -10.104 -2.518 1.00 22.15 H new ATOM 346 N PRO A 23 -8.984 -14.378 0.033 1.00 41.33 N ATOM 347 CA PRO A 23 -8.310 -15.584 0.525 1.00 15.30 C ATOM 348 C PRO A 23 -8.242 -16.681 -0.532 1.00 0.32 C ATOM 349 O PRO A 23 -7.185 -17.267 -0.763 1.00 31.22 O ATOM 350 CB PRO A 23 -9.188 -16.026 1.699 1.00 61.24 C ATOM 351 CG PRO A 23 -10.536 -15.470 1.394 1.00 13.23 C ATOM 352 CD PRO A 23 -10.297 -14.175 0.670 1.00 23.15 C ATOM 0 HA PRO A 23 -7.273 -15.389 0.800 1.00 15.30 H new ATOM 0 HB2 PRO A 23 -9.218 -17.112 1.784 1.00 61.24 H new ATOM 0 HB3 PRO A 23 -8.806 -15.642 2.645 1.00 61.24 H new ATOM 0 HG2 PRO A 23 -11.112 -16.160 0.778 1.00 13.23 H new ATOM 0 HG3 PRO A 23 -11.106 -15.306 2.308 1.00 13.23 H new ATOM 0 HD2 PRO A 23 -11.075 -13.977 -0.067 1.00 23.15 H new ATOM 0 HD3 PRO A 23 -10.284 -13.328 1.355 1.00 23.15 H new ATOM 360 N GLY A 24 -9.376 -16.953 -1.171 1.00 3.13 N ATOM 361 CA GLY A 24 -9.421 -17.979 -2.196 1.00 65.51 C ATOM 362 C GLY A 24 -9.689 -17.411 -3.576 1.00 3.43 C ATOM 363 O GLY A 24 -10.281 -18.074 -4.424 1.00 53.24 O ATOM 0 H GLY A 24 -10.264 -16.481 -0.997 1.00 3.13 H new ATOM 0 HA2 GLY A 24 -8.474 -18.519 -2.207 1.00 65.51 H new ATOM 0 HA3 GLY A 24 -10.198 -18.702 -1.947 1.00 65.51 H new ATOM 367 N GLY A 25 -9.251 -16.175 -3.799 1.00 41.32 N ATOM 368 CA GLY A 25 -9.457 -15.536 -5.085 1.00 54.34 C ATOM 369 C GLY A 25 -8.168 -15.376 -5.867 1.00 33.33 C ATOM 370 O GLY A 25 -7.139 -15.950 -5.507 1.00 10.22 O ATOM 0 H GLY A 25 -8.757 -15.606 -3.112 1.00 41.32 H new ATOM 0 HA2 GLY A 25 -10.163 -16.125 -5.671 1.00 54.34 H new ATOM 0 HA3 GLY A 25 -9.909 -14.556 -4.932 1.00 54.34 H new ATOM 374 N LYS A 26 -8.222 -14.597 -6.942 1.00 62.30 N ATOM 375 CA LYS A 26 -7.051 -14.363 -7.778 1.00 5.41 C ATOM 376 C LYS A 26 -6.720 -12.875 -7.848 1.00 73.12 C ATOM 377 O LYS A 26 -5.781 -12.469 -8.533 1.00 75.23 O ATOM 378 CB LYS A 26 -7.287 -14.911 -9.187 1.00 51.42 C ATOM 379 CG LYS A 26 -6.645 -16.266 -9.429 1.00 2.22 C ATOM 380 CD LYS A 26 -7.281 -17.345 -8.570 1.00 31.43 C ATOM 381 CE LYS A 26 -6.971 -18.736 -9.102 1.00 1.02 C ATOM 382 NZ LYS A 26 -7.590 -19.802 -8.266 1.00 43.50 N ATOM 0 H LYS A 26 -9.066 -14.117 -7.255 1.00 62.30 H new ATOM 0 HA LYS A 26 -6.205 -14.884 -7.329 1.00 5.41 H new ATOM 0 HB2 LYS A 26 -8.360 -14.991 -9.362 1.00 51.42 H new ATOM 0 HB3 LYS A 26 -6.898 -14.199 -9.915 1.00 51.42 H new ATOM 0 HG2 LYS A 26 -6.742 -16.533 -10.481 1.00 2.22 H new ATOM 0 HG3 LYS A 26 -5.578 -16.208 -9.212 1.00 2.22 H new ATOM 0 HD2 LYS A 26 -6.918 -17.257 -7.546 1.00 31.43 H new ATOM 0 HD3 LYS A 26 -8.361 -17.198 -8.540 1.00 31.43 H new ATOM 0 HE2 LYS A 26 -7.334 -18.822 -10.126 1.00 1.02 H new ATOM 0 HE3 LYS A 26 -5.891 -18.880 -9.133 1.00 1.02 H new ATOM 0 HZ1 LYS A 26 -7.355 -20.734 -8.662 1.00 43.50 H new ATOM 0 HZ2 LYS A 26 -7.225 -19.737 -7.294 1.00 43.50 H new ATOM 0 HZ3 LYS A 26 -8.623 -19.680 -8.257 1.00 43.50 H new ATOM 396 N LYS A 27 -7.496 -12.068 -7.134 1.00 2.34 N ATOM 397 CA LYS A 27 -7.285 -10.625 -7.112 1.00 23.35 C ATOM 398 C LYS A 27 -6.125 -10.259 -6.192 1.00 33.05 C ATOM 399 O LYS A 27 -5.887 -10.924 -5.184 1.00 3.33 O ATOM 400 CB LYS A 27 -8.558 -9.909 -6.654 1.00 42.12 C ATOM 401 CG LYS A 27 -9.699 -10.001 -7.652 1.00 54.13 C ATOM 402 CD LYS A 27 -11.046 -9.787 -6.981 1.00 63.23 C ATOM 403 CE LYS A 27 -12.195 -10.104 -7.926 1.00 11.12 C ATOM 404 NZ LYS A 27 -13.011 -8.896 -8.231 1.00 32.25 N ATOM 0 H LYS A 27 -8.278 -12.388 -6.562 1.00 2.34 H new ATOM 0 HA LYS A 27 -7.039 -10.304 -8.124 1.00 23.35 H new ATOM 0 HB2 LYS A 27 -8.882 -10.334 -5.704 1.00 42.12 H new ATOM 0 HB3 LYS A 27 -8.329 -8.859 -6.472 1.00 42.12 H new ATOM 0 HG2 LYS A 27 -9.559 -9.256 -8.435 1.00 54.13 H new ATOM 0 HG3 LYS A 27 -9.683 -10.978 -8.135 1.00 54.13 H new ATOM 0 HD2 LYS A 27 -11.117 -10.418 -6.095 1.00 63.23 H new ATOM 0 HD3 LYS A 27 -11.126 -8.754 -6.643 1.00 63.23 H new ATOM 0 HE2 LYS A 27 -11.799 -10.518 -8.853 1.00 11.12 H new ATOM 0 HE3 LYS A 27 -12.831 -10.869 -7.481 1.00 11.12 H new ATOM 0 HZ1 LYS A 27 -13.784 -9.153 -8.878 1.00 32.25 H new ATOM 0 HZ2 LYS A 27 -13.410 -8.515 -7.349 1.00 32.25 H new ATOM 0 HZ3 LYS A 27 -12.410 -8.175 -8.679 1.00 32.25 H new ATOM 418 N GLN A 28 -5.408 -9.197 -6.545 1.00 11.34 N ATOM 419 CA GLN A 28 -4.273 -8.743 -5.750 1.00 2.44 C ATOM 420 C GLN A 28 -4.248 -7.221 -5.655 1.00 14.13 C ATOM 421 O GLN A 28 -5.198 -6.549 -6.058 1.00 51.41 O ATOM 422 CB GLN A 28 -2.963 -9.250 -6.356 1.00 12.15 C ATOM 423 CG GLN A 28 -2.936 -10.753 -6.575 1.00 23.11 C ATOM 424 CD GLN A 28 -2.939 -11.130 -8.043 1.00 53.52 C ATOM 425 OE1 GLN A 28 -3.849 -10.533 -8.805 1.00 74.52 O flip ATOM 426 NE2 GLN A 28 -2.132 -11.946 -8.489 1.00 71.34 N flip ATOM 0 H GLN A 28 -5.593 -8.635 -7.376 1.00 11.34 H new ATOM 0 HA GLN A 28 -4.381 -9.149 -4.744 1.00 2.44 H new ATOM 0 HB2 GLN A 28 -2.796 -8.749 -7.310 1.00 12.15 H new ATOM 0 HB3 GLN A 28 -2.138 -8.972 -5.701 1.00 12.15 H new ATOM 0 HG2 GLN A 28 -2.048 -11.170 -6.099 1.00 23.11 H new ATOM 0 HG3 GLN A 28 -3.800 -11.203 -6.087 1.00 23.11 H new ATOM 0 HE21 GLN A 28 -1.450 -12.381 -7.868 1.00 71.34 H new ATOM 0 HE22 GLN A 28 -2.146 -12.187 -9.480 1.00 71.34 H new ATOM 435 N TYR A 29 -3.158 -6.684 -5.121 1.00 4.43 N ATOM 436 CA TYR A 29 -3.011 -5.241 -4.971 1.00 45.14 C ATOM 437 C TYR A 29 -2.217 -4.651 -6.133 1.00 21.34 C ATOM 438 O TYR A 29 -1.360 -5.315 -6.715 1.00 62.22 O ATOM 439 CB TYR A 29 -2.320 -4.913 -3.647 1.00 4.40 C ATOM 440 CG TYR A 29 -3.242 -4.978 -2.450 1.00 45.21 C ATOM 441 CD1 TYR A 29 -4.119 -3.938 -2.167 1.00 43.31 C ATOM 442 CD2 TYR A 29 -3.234 -6.078 -1.601 1.00 55.52 C ATOM 443 CE1 TYR A 29 -4.962 -3.992 -1.075 1.00 53.00 C ATOM 444 CE2 TYR A 29 -4.075 -6.141 -0.508 1.00 3.24 C ATOM 445 CZ TYR A 29 -4.938 -5.096 -0.248 1.00 63.12 C ATOM 446 OH TYR A 29 -5.776 -5.155 0.842 1.00 61.33 O ATOM 0 H TYR A 29 -2.362 -7.226 -4.784 1.00 4.43 H new ATOM 0 HA TYR A 29 -4.007 -4.797 -4.973 1.00 45.14 H new ATOM 0 HB2 TYR A 29 -1.493 -5.607 -3.496 1.00 4.40 H new ATOM 0 HB3 TYR A 29 -1.889 -3.914 -3.709 1.00 4.40 H new ATOM 0 HD1 TYR A 29 -4.142 -3.072 -2.812 1.00 43.31 H new ATOM 0 HD2 TYR A 29 -2.559 -6.897 -1.799 1.00 55.52 H new ATOM 0 HE1 TYR A 29 -5.637 -3.174 -0.869 1.00 53.00 H new ATOM 0 HE2 TYR A 29 -4.058 -7.004 0.141 1.00 3.24 H new ATOM 0 HH TYR A 29 -6.130 -6.064 0.933 1.00 61.33 H new ATOM 456 N LYS A 30 -2.508 -3.397 -6.463 1.00 30.31 N ATOM 457 CA LYS A 30 -1.821 -2.714 -7.553 1.00 40.30 C ATOM 458 C LYS A 30 -1.609 -1.240 -7.223 1.00 1.03 C ATOM 459 O LYS A 30 -2.098 -0.744 -6.206 1.00 24.33 O ATOM 460 CB LYS A 30 -2.622 -2.846 -8.850 1.00 21.30 C ATOM 461 CG LYS A 30 -1.865 -3.552 -9.962 1.00 3.22 C ATOM 462 CD LYS A 30 -2.356 -3.118 -11.333 1.00 71.43 C ATOM 463 CE LYS A 30 -1.678 -1.835 -11.789 1.00 23.51 C ATOM 464 NZ LYS A 30 -0.247 -2.059 -12.138 1.00 14.41 N ATOM 0 H LYS A 30 -3.215 -2.833 -5.991 1.00 30.31 H new ATOM 0 HA LYS A 30 -0.846 -3.183 -7.685 1.00 40.30 H new ATOM 0 HB2 LYS A 30 -3.543 -3.392 -8.645 1.00 21.30 H new ATOM 0 HB3 LYS A 30 -2.910 -1.852 -9.192 1.00 21.30 H new ATOM 0 HG2 LYS A 30 -0.800 -3.338 -9.871 1.00 3.22 H new ATOM 0 HG3 LYS A 30 -1.984 -4.630 -9.857 1.00 3.22 H new ATOM 0 HD2 LYS A 30 -2.163 -3.910 -12.057 1.00 71.43 H new ATOM 0 HD3 LYS A 30 -3.435 -2.969 -11.304 1.00 71.43 H new ATOM 0 HE2 LYS A 30 -2.205 -1.434 -12.655 1.00 23.51 H new ATOM 0 HE3 LYS A 30 -1.747 -1.087 -10.999 1.00 23.51 H new ATOM 0 HZ1 LYS A 30 0.097 -1.268 -12.719 1.00 14.41 H new ATOM 0 HZ2 LYS A 30 0.318 -2.119 -11.267 1.00 14.41 H new ATOM 0 HZ3 LYS A 30 -0.155 -2.947 -12.672 1.00 14.41 H new ATOM 478 N LEU A 31 -0.880 -0.543 -8.087 1.00 64.53 N ATOM 479 CA LEU A 31 -0.605 0.875 -7.888 1.00 45.14 C ATOM 480 C LEU A 31 -1.898 1.657 -7.681 1.00 72.32 C ATOM 481 O LEU A 31 -1.923 2.662 -6.969 1.00 24.54 O ATOM 482 CB LEU A 31 0.159 1.440 -9.088 1.00 12.55 C ATOM 483 CG LEU A 31 1.560 1.979 -8.798 1.00 61.30 C ATOM 484 CD1 LEU A 31 2.448 0.880 -8.236 1.00 25.22 C ATOM 485 CD2 LEU A 31 2.174 2.572 -10.058 1.00 2.34 C ATOM 0 H LEU A 31 -0.468 -0.937 -8.933 1.00 64.53 H new ATOM 0 HA LEU A 31 0.008 0.978 -6.993 1.00 45.14 H new ATOM 0 HB2 LEU A 31 0.241 0.657 -9.842 1.00 12.55 H new ATOM 0 HB3 LEU A 31 -0.434 2.243 -9.526 1.00 12.55 H new ATOM 0 HG LEU A 31 1.478 2.769 -8.051 1.00 61.30 H new ATOM 0 HD11 LEU A 31 3.441 1.282 -8.036 1.00 25.22 H new ATOM 0 HD12 LEU A 31 2.016 0.501 -7.310 1.00 25.22 H new ATOM 0 HD13 LEU A 31 2.524 0.068 -8.959 1.00 25.22 H new ATOM 0 HD21 LEU A 31 3.171 2.951 -9.833 1.00 2.34 H new ATOM 0 HD22 LEU A 31 2.243 1.802 -10.826 1.00 2.34 H new ATOM 0 HD23 LEU A 31 1.548 3.389 -10.418 1.00 2.34 H new ATOM 497 N LYS A 32 -2.973 1.189 -8.305 1.00 73.52 N ATOM 498 CA LYS A 32 -4.272 1.840 -8.188 1.00 41.40 C ATOM 499 C LYS A 32 -4.604 2.131 -6.728 1.00 34.53 C ATOM 500 O LYS A 32 -5.077 3.217 -6.392 1.00 41.31 O ATOM 501 CB LYS A 32 -5.364 0.965 -8.807 1.00 32.35 C ATOM 502 CG LYS A 32 -5.606 1.245 -10.279 1.00 33.52 C ATOM 503 CD LYS A 32 -5.856 -0.037 -11.057 1.00 3.34 C ATOM 504 CE LYS A 32 -5.681 0.176 -12.552 1.00 61.54 C ATOM 505 NZ LYS A 32 -6.800 -0.421 -13.332 1.00 60.42 N ATOM 0 H LYS A 32 -2.970 0.359 -8.898 1.00 73.52 H new ATOM 0 HA LYS A 32 -4.226 2.786 -8.728 1.00 41.40 H new ATOM 0 HB2 LYS A 32 -5.090 -0.083 -8.685 1.00 32.35 H new ATOM 0 HB3 LYS A 32 -6.294 1.117 -8.259 1.00 32.35 H new ATOM 0 HG2 LYS A 32 -6.462 1.911 -10.388 1.00 33.52 H new ATOM 0 HG3 LYS A 32 -4.744 1.764 -10.698 1.00 33.52 H new ATOM 0 HD2 LYS A 32 -5.169 -0.811 -10.716 1.00 3.34 H new ATOM 0 HD3 LYS A 32 -6.865 -0.396 -10.855 1.00 3.34 H new ATOM 0 HE2 LYS A 32 -5.621 1.244 -12.762 1.00 61.54 H new ATOM 0 HE3 LYS A 32 -4.738 -0.266 -12.874 1.00 61.54 H new ATOM 0 HZ1 LYS A 32 -6.644 -0.254 -14.347 1.00 60.42 H new ATOM 0 HZ2 LYS A 32 -6.842 -1.444 -13.152 1.00 60.42 H new ATOM 0 HZ3 LYS A 32 -7.697 0.018 -13.043 1.00 60.42 H new ATOM 519 N HIS A 33 -4.354 1.152 -5.863 1.00 34.13 N ATOM 520 CA HIS A 33 -4.625 1.303 -4.437 1.00 2.40 C ATOM 521 C HIS A 33 -3.623 2.256 -3.792 1.00 43.45 C ATOM 522 O HIS A 33 -4.062 3.081 -2.991 1.00 52.44 O ATOM 523 CB HIS A 33 -4.575 -0.057 -3.739 1.00 44.43 C ATOM 524 CG HIS A 33 -5.391 -1.110 -4.422 1.00 63.53 C ATOM 525 ND1 HIS A 33 -4.836 -2.216 -5.033 1.00 3.51 N ATOM 526 CD2 HIS A 33 -6.729 -1.224 -4.588 1.00 74.41 C ATOM 527 CE1 HIS A 33 -5.797 -2.963 -5.545 1.00 11.41 C ATOM 528 NE2 HIS A 33 -6.956 -2.383 -5.289 1.00 34.45 N ATOM 0 H HIS A 33 -3.964 0.246 -6.125 1.00 34.13 H new ATOM 0 HA HIS A 33 -5.624 1.723 -4.325 1.00 2.40 H new ATOM 0 HB2 HIS A 33 -3.539 -0.390 -3.684 1.00 44.43 H new ATOM 0 HB3 HIS A 33 -4.928 0.057 -2.714 1.00 44.43 H new ATOM 0 HD2 HIS A 33 -7.479 -0.532 -4.235 1.00 74.41 H new ATOM 0 HE1 HIS A 33 -5.659 -3.890 -6.082 1.00 11.41 H new ATOM 0 HE2 HIS A 33 -7.871 -2.738 -5.567 1.00 34.45 H new ATOM 536 N ILE A 34 -2.335 2.168 -4.108 1.00 52.53 N ATOM 537 CA ILE A 34 -1.342 3.057 -3.519 1.00 41.22 C ATOM 538 C ILE A 34 -1.698 4.519 -3.767 1.00 44.12 C ATOM 539 O ILE A 34 -1.483 5.376 -2.909 1.00 45.51 O ATOM 540 CB ILE A 34 0.065 2.781 -4.080 1.00 22.43 C ATOM 541 CG1 ILE A 34 0.446 1.315 -3.861 1.00 23.41 C ATOM 542 CG2 ILE A 34 1.086 3.702 -3.429 1.00 23.42 C ATOM 543 CD1 ILE A 34 1.670 0.886 -4.639 1.00 2.44 C ATOM 0 H ILE A 34 -1.955 1.490 -4.769 1.00 52.53 H new ATOM 0 HA ILE A 34 -1.341 2.862 -2.447 1.00 41.22 H new ATOM 0 HB ILE A 34 0.058 2.979 -5.152 1.00 22.43 H new ATOM 0 HG12 ILE A 34 0.624 1.149 -2.799 1.00 23.41 H new ATOM 0 HG13 ILE A 34 -0.395 0.683 -4.145 1.00 23.41 H new ATOM 0 HG21 ILE A 34 2.075 3.494 -3.836 1.00 23.42 H new ATOM 0 HG22 ILE A 34 0.821 4.740 -3.631 1.00 23.42 H new ATOM 0 HG23 ILE A 34 1.094 3.533 -2.352 1.00 23.42 H new ATOM 0 HD11 ILE A 34 1.881 -0.164 -4.435 1.00 2.44 H new ATOM 0 HD12 ILE A 34 1.488 1.019 -5.705 1.00 2.44 H new ATOM 0 HD13 ILE A 34 2.524 1.493 -4.338 1.00 2.44 H new ATOM 555 N VAL A 35 -2.245 4.799 -4.946 1.00 23.44 N ATOM 556 CA VAL A 35 -2.633 6.156 -5.307 1.00 42.43 C ATOM 557 C VAL A 35 -3.913 6.571 -4.590 1.00 73.33 C ATOM 558 O VAL A 35 -3.934 7.559 -3.856 1.00 50.14 O ATOM 559 CB VAL A 35 -2.840 6.296 -6.826 1.00 71.22 C ATOM 560 CG1 VAL A 35 -3.291 7.706 -7.177 1.00 32.22 C ATOM 561 CG2 VAL A 35 -1.565 5.934 -7.573 1.00 42.10 C ATOM 0 H VAL A 35 -2.429 4.102 -5.668 1.00 23.44 H new ATOM 0 HA VAL A 35 -1.818 6.810 -4.998 1.00 42.43 H new ATOM 0 HB VAL A 35 -3.623 5.603 -7.133 1.00 71.22 H new ATOM 0 HG11 VAL A 35 -3.432 7.785 -8.255 1.00 32.22 H new ATOM 0 HG12 VAL A 35 -4.232 7.924 -6.671 1.00 32.22 H new ATOM 0 HG13 VAL A 35 -2.533 8.421 -6.857 1.00 32.22 H new ATOM 0 HG21 VAL A 35 -1.729 6.039 -8.645 1.00 42.10 H new ATOM 0 HG22 VAL A 35 -0.760 6.600 -7.263 1.00 42.10 H new ATOM 0 HG23 VAL A 35 -1.291 4.904 -7.347 1.00 42.10 H new ATOM 571 N TRP A 36 -4.978 5.808 -4.807 1.00 52.44 N ATOM 572 CA TRP A 36 -6.264 6.096 -4.181 1.00 12.13 C ATOM 573 C TRP A 36 -6.120 6.208 -2.668 1.00 20.21 C ATOM 574 O TRP A 36 -6.598 7.165 -2.059 1.00 25.34 O ATOM 575 CB TRP A 36 -7.279 5.006 -4.530 1.00 15.34 C ATOM 576 CG TRP A 36 -8.582 5.154 -3.803 1.00 31.01 C ATOM 577 CD1 TRP A 36 -9.676 5.860 -4.215 1.00 60.34 C ATOM 578 CD2 TRP A 36 -8.925 4.583 -2.536 1.00 33.43 C ATOM 579 NE1 TRP A 36 -10.678 5.762 -3.281 1.00 10.22 N ATOM 580 CE2 TRP A 36 -10.243 4.984 -2.241 1.00 73.30 C ATOM 581 CE3 TRP A 36 -8.249 3.771 -1.622 1.00 35.24 C ATOM 582 CZ2 TRP A 36 -10.895 4.599 -1.072 1.00 43.32 C ATOM 583 CZ3 TRP A 36 -8.897 3.390 -0.461 1.00 44.41 C ATOM 584 CH2 TRP A 36 -10.208 3.804 -0.195 1.00 14.21 C ATOM 0 H TRP A 36 -4.977 4.986 -5.411 1.00 52.44 H new ATOM 0 HA TRP A 36 -6.621 7.052 -4.564 1.00 12.13 H new ATOM 0 HB2 TRP A 36 -7.466 5.024 -5.604 1.00 15.34 H new ATOM 0 HB3 TRP A 36 -6.850 4.032 -4.297 1.00 15.34 H new ATOM 0 HD1 TRP A 36 -9.743 6.414 -5.140 1.00 60.34 H new ATOM 0 HE1 TRP A 36 -11.597 6.198 -3.351 1.00 10.22 H new ATOM 0 HE3 TRP A 36 -7.238 3.446 -1.819 1.00 35.24 H new ATOM 0 HZ2 TRP A 36 -11.906 4.916 -0.865 1.00 43.32 H new ATOM 0 HZ3 TRP A 36 -8.383 2.763 0.252 1.00 44.41 H new ATOM 0 HH2 TRP A 36 -10.687 3.490 0.721 1.00 14.21 H new ATOM 595 N ALA A 37 -5.457 5.225 -2.066 1.00 74.01 N ATOM 596 CA ALA A 37 -5.248 5.215 -0.624 1.00 54.10 C ATOM 597 C ALA A 37 -4.471 6.447 -0.174 1.00 1.33 C ATOM 598 O ALA A 37 -4.891 7.159 0.739 1.00 64.21 O ATOM 599 CB ALA A 37 -4.521 3.947 -0.205 1.00 34.53 C ATOM 0 H ALA A 37 -5.056 4.425 -2.556 1.00 74.01 H new ATOM 0 HA ALA A 37 -6.224 5.237 -0.140 1.00 54.10 H new ATOM 0 HB1 ALA A 37 -4.372 3.953 0.875 1.00 34.53 H new ATOM 0 HB2 ALA A 37 -5.116 3.077 -0.484 1.00 34.53 H new ATOM 0 HB3 ALA A 37 -3.553 3.900 -0.705 1.00 34.53 H new ATOM 605 N SER A 38 -3.334 6.692 -0.819 1.00 60.50 N ATOM 606 CA SER A 38 -2.495 7.836 -0.482 1.00 13.05 C ATOM 607 C SER A 38 -3.290 9.136 -0.563 1.00 31.31 C ATOM 608 O SER A 38 -3.017 10.090 0.166 1.00 25.42 O ATOM 609 CB SER A 38 -1.288 7.903 -1.418 1.00 24.21 C ATOM 610 OG SER A 38 -0.752 9.214 -1.467 1.00 53.04 O ATOM 0 H SER A 38 -2.973 6.113 -1.578 1.00 60.50 H new ATOM 0 HA SER A 38 -2.144 7.709 0.542 1.00 13.05 H new ATOM 0 HB2 SER A 38 -0.522 7.206 -1.079 1.00 24.21 H new ATOM 0 HB3 SER A 38 -1.583 7.590 -2.420 1.00 24.21 H new ATOM 0 HG SER A 38 0.020 9.230 -2.071 1.00 53.04 H new ATOM 616 N ARG A 39 -4.274 9.165 -1.455 1.00 71.43 N ATOM 617 CA ARG A 39 -5.108 10.347 -1.634 1.00 41.10 C ATOM 618 C ARG A 39 -6.203 10.406 -0.572 1.00 63.55 C ATOM 619 O ARG A 39 -6.413 11.440 0.060 1.00 60.04 O ATOM 620 CB ARG A 39 -5.735 10.350 -3.030 1.00 22.24 C ATOM 621 CG ARG A 39 -6.777 11.437 -3.227 1.00 34.12 C ATOM 622 CD ARG A 39 -6.856 11.875 -4.681 1.00 13.01 C ATOM 623 NE ARG A 39 -8.086 11.419 -5.324 1.00 42.15 N ATOM 624 CZ ARG A 39 -8.421 11.730 -6.572 1.00 35.31 C ATOM 625 NH1 ARG A 39 -7.623 12.492 -7.307 1.00 11.54 N ATOM 626 NH2 ARG A 39 -9.557 11.276 -7.087 1.00 55.21 N ATOM 0 H ARG A 39 -4.513 8.383 -2.065 1.00 71.43 H new ATOM 0 HA ARG A 39 -4.474 11.227 -1.527 1.00 41.10 H new ATOM 0 HB2 ARG A 39 -4.947 10.475 -3.773 1.00 22.24 H new ATOM 0 HB3 ARG A 39 -6.196 9.379 -3.214 1.00 22.24 H new ATOM 0 HG2 ARG A 39 -7.751 11.072 -2.902 1.00 34.12 H new ATOM 0 HG3 ARG A 39 -6.533 12.295 -2.600 1.00 34.12 H new ATOM 0 HD2 ARG A 39 -6.800 12.962 -4.736 1.00 13.01 H new ATOM 0 HD3 ARG A 39 -5.996 11.484 -5.225 1.00 13.01 H new ATOM 0 HE ARG A 39 -8.722 10.830 -4.786 1.00 42.15 H new ATOM 0 HH11 ARG A 39 -6.749 12.842 -6.915 1.00 11.54 H new ATOM 0 HH12 ARG A 39 -7.883 12.729 -8.264 1.00 11.54 H new ATOM 0 HH21 ARG A 39 -10.173 10.688 -6.525 1.00 55.21 H new ATOM 0 HH22 ARG A 39 -9.814 11.515 -8.045 1.00 55.21 H new ATOM 640 N GLU A 40 -6.898 9.288 -0.384 1.00 51.15 N ATOM 641 CA GLU A 40 -7.972 9.214 0.599 1.00 33.30 C ATOM 642 C GLU A 40 -7.492 9.693 1.966 1.00 13.12 C ATOM 643 O GLU A 40 -8.190 10.437 2.656 1.00 54.14 O ATOM 644 CB GLU A 40 -8.498 7.780 0.705 1.00 72.32 C ATOM 645 CG GLU A 40 -10.014 7.691 0.770 1.00 0.53 C ATOM 646 CD GLU A 40 -10.691 8.411 -0.380 1.00 5.41 C ATOM 647 OE1 GLU A 40 -10.722 7.849 -1.495 1.00 35.42 O ATOM 648 OE2 GLU A 40 -11.187 9.537 -0.166 1.00 74.42 O ATOM 0 H GLU A 40 -6.736 8.422 -0.899 1.00 51.15 H new ATOM 0 HA GLU A 40 -8.780 9.867 0.267 1.00 33.30 H new ATOM 0 HB2 GLU A 40 -8.145 7.208 -0.153 1.00 72.32 H new ATOM 0 HB3 GLU A 40 -8.076 7.312 1.595 1.00 72.32 H new ATOM 0 HG2 GLU A 40 -10.313 6.643 0.764 1.00 0.53 H new ATOM 0 HG3 GLU A 40 -10.359 8.115 1.713 1.00 0.53 H new ATOM 655 N LEU A 41 -6.297 9.260 2.351 1.00 2.04 N ATOM 656 CA LEU A 41 -5.723 9.644 3.636 1.00 3.34 C ATOM 657 C LEU A 41 -5.762 11.157 3.820 1.00 5.40 C ATOM 658 O LEU A 41 -6.038 11.652 4.912 1.00 43.43 O ATOM 659 CB LEU A 41 -4.282 9.142 3.744 1.00 22.11 C ATOM 660 CG LEU A 41 -4.101 7.625 3.791 1.00 73.43 C ATOM 661 CD1 LEU A 41 -2.655 7.250 3.503 1.00 71.30 C ATOM 662 CD2 LEU A 41 -4.537 7.078 5.142 1.00 25.54 C ATOM 0 H LEU A 41 -5.707 8.643 1.793 1.00 2.04 H new ATOM 0 HA LEU A 41 -6.321 9.186 4.424 1.00 3.34 H new ATOM 0 HB2 LEU A 41 -3.719 9.529 2.894 1.00 22.11 H new ATOM 0 HB3 LEU A 41 -3.836 9.569 4.642 1.00 22.11 H new ATOM 0 HG LEU A 41 -4.730 7.179 3.021 1.00 73.43 H new ATOM 0 HD11 LEU A 41 -2.546 6.166 3.541 1.00 71.30 H new ATOM 0 HD12 LEU A 41 -2.377 7.608 2.512 1.00 71.30 H new ATOM 0 HD13 LEU A 41 -2.005 7.706 4.250 1.00 71.30 H new ATOM 0 HD21 LEU A 41 -4.401 5.997 5.158 1.00 25.54 H new ATOM 0 HD22 LEU A 41 -3.935 7.531 5.929 1.00 25.54 H new ATOM 0 HD23 LEU A 41 -5.588 7.314 5.308 1.00 25.54 H new ATOM 674 N GLU A 42 -5.483 11.886 2.744 1.00 51.32 N ATOM 675 CA GLU A 42 -5.488 13.344 2.786 1.00 74.42 C ATOM 676 C GLU A 42 -6.853 13.871 3.221 1.00 2.32 C ATOM 677 O GLU A 42 -6.956 14.951 3.802 1.00 4.34 O ATOM 678 CB GLU A 42 -5.121 13.917 1.416 1.00 10.20 C ATOM 679 CG GLU A 42 -4.860 15.414 1.433 1.00 12.41 C ATOM 680 CD GLU A 42 -4.482 15.957 0.069 1.00 70.32 C ATOM 681 OE1 GLU A 42 -5.237 15.712 -0.896 1.00 0.33 O ATOM 682 OE2 GLU A 42 -3.431 16.623 -0.035 1.00 43.21 O ATOM 0 H GLU A 42 -5.251 11.491 1.833 1.00 51.32 H new ATOM 0 HA GLU A 42 -4.745 13.664 3.516 1.00 74.42 H new ATOM 0 HB2 GLU A 42 -4.233 13.406 1.044 1.00 10.20 H new ATOM 0 HB3 GLU A 42 -5.928 13.705 0.715 1.00 10.20 H new ATOM 0 HG2 GLU A 42 -5.751 15.930 1.791 1.00 12.41 H new ATOM 0 HG3 GLU A 42 -4.060 15.631 2.141 1.00 12.41 H new ATOM 689 N ARG A 43 -7.897 13.101 2.935 1.00 61.14 N ATOM 690 CA ARG A 43 -9.255 13.490 3.295 1.00 42.24 C ATOM 691 C ARG A 43 -9.587 13.053 4.718 1.00 22.12 C ATOM 692 O ARG A 43 -10.441 13.646 5.377 1.00 34.34 O ATOM 693 CB ARG A 43 -10.260 12.880 2.314 1.00 5.43 C ATOM 694 CG ARG A 43 -10.861 13.890 1.351 1.00 12.30 C ATOM 695 CD ARG A 43 -12.260 13.482 0.918 1.00 22.10 C ATOM 696 NE ARG A 43 -13.279 13.929 1.864 1.00 45.11 N ATOM 697 CZ ARG A 43 -14.545 13.531 1.822 1.00 12.45 C ATOM 698 NH1 ARG A 43 -14.948 12.684 0.886 1.00 23.11 N ATOM 699 NH2 ARG A 43 -15.413 13.983 2.719 1.00 11.42 N ATOM 0 H ARG A 43 -7.829 12.204 2.455 1.00 61.14 H new ATOM 0 HA ARG A 43 -9.321 14.577 3.243 1.00 42.24 H new ATOM 0 HB2 ARG A 43 -9.766 12.095 1.742 1.00 5.43 H new ATOM 0 HB3 ARG A 43 -11.063 12.406 2.878 1.00 5.43 H new ATOM 0 HG2 ARG A 43 -10.897 14.870 1.826 1.00 12.30 H new ATOM 0 HG3 ARG A 43 -10.220 13.984 0.474 1.00 12.30 H new ATOM 0 HD2 ARG A 43 -12.471 13.900 -0.066 1.00 22.10 H new ATOM 0 HD3 ARG A 43 -12.307 12.397 0.820 1.00 22.10 H new ATOM 0 HE ARG A 43 -13.003 14.583 2.597 1.00 45.11 H new ATOM 0 HH11 ARG A 43 -14.285 12.335 0.194 1.00 23.11 H new ATOM 0 HH12 ARG A 43 -15.921 12.381 0.857 1.00 23.11 H new ATOM 0 HH21 ARG A 43 -15.107 14.636 3.440 1.00 11.42 H new ATOM 0 HH22 ARG A 43 -16.386 13.677 2.687 1.00 11.42 H new ATOM 713 N PHE A 44 -8.907 12.011 5.185 1.00 42.01 N ATOM 714 CA PHE A 44 -9.131 11.493 6.530 1.00 42.43 C ATOM 715 C PHE A 44 -8.185 12.152 7.530 1.00 35.33 C ATOM 716 O PHE A 44 -7.740 11.521 8.489 1.00 73.50 O ATOM 717 CB PHE A 44 -8.939 9.975 6.553 1.00 2.11 C ATOM 718 CG PHE A 44 -10.146 9.212 6.087 1.00 20.42 C ATOM 719 CD1 PHE A 44 -11.394 9.459 6.636 1.00 4.00 C ATOM 720 CD2 PHE A 44 -10.032 8.246 5.100 1.00 71.04 C ATOM 721 CE1 PHE A 44 -12.505 8.758 6.209 1.00 54.32 C ATOM 722 CE2 PHE A 44 -11.140 7.543 4.668 1.00 70.13 C ATOM 723 CZ PHE A 44 -12.379 7.798 5.224 1.00 5.12 C ATOM 0 H PHE A 44 -8.197 11.509 4.652 1.00 42.01 H new ATOM 0 HA PHE A 44 -10.156 11.727 6.817 1.00 42.43 H new ATOM 0 HB2 PHE A 44 -8.089 9.715 5.923 1.00 2.11 H new ATOM 0 HB3 PHE A 44 -8.691 9.663 7.568 1.00 2.11 H new ATOM 0 HD1 PHE A 44 -11.499 10.208 7.407 1.00 4.00 H new ATOM 0 HD2 PHE A 44 -9.066 8.040 4.663 1.00 71.04 H new ATOM 0 HE1 PHE A 44 -13.472 8.961 6.645 1.00 54.32 H new ATOM 0 HE2 PHE A 44 -11.038 6.795 3.896 1.00 70.13 H new ATOM 0 HZ PHE A 44 -13.246 7.248 4.889 1.00 5.12 H new ATOM 733 N ALA A 45 -7.883 13.425 7.300 1.00 21.10 N ATOM 734 CA ALA A 45 -6.992 14.170 8.181 1.00 61.24 C ATOM 735 C ALA A 45 -5.700 13.399 8.436 1.00 55.35 C ATOM 736 O ALA A 45 -5.023 13.618 9.440 1.00 50.44 O ATOM 737 CB ALA A 45 -7.691 14.483 9.495 1.00 2.53 C ATOM 0 H ALA A 45 -8.242 13.962 6.511 1.00 21.10 H new ATOM 0 HA ALA A 45 -6.733 15.107 7.688 1.00 61.24 H new ATOM 0 HB1 ALA A 45 -7.014 15.040 10.144 1.00 2.53 H new ATOM 0 HB2 ALA A 45 -8.581 15.081 9.300 1.00 2.53 H new ATOM 0 HB3 ALA A 45 -7.979 13.553 9.984 1.00 2.53 H new ATOM 743 N VAL A 46 -5.366 12.496 7.521 1.00 60.23 N ATOM 744 CA VAL A 46 -4.156 11.693 7.646 1.00 23.43 C ATOM 745 C VAL A 46 -3.189 11.973 6.501 1.00 71.25 C ATOM 746 O VAL A 46 -3.492 11.704 5.340 1.00 62.22 O ATOM 747 CB VAL A 46 -4.481 10.187 7.672 1.00 12.51 C ATOM 748 CG1 VAL A 46 -3.203 9.364 7.708 1.00 45.34 C ATOM 749 CG2 VAL A 46 -5.372 9.856 8.859 1.00 24.35 C ATOM 0 H VAL A 46 -5.916 12.302 6.685 1.00 60.23 H new ATOM 0 HA VAL A 46 -3.688 11.972 8.590 1.00 23.43 H new ATOM 0 HB VAL A 46 -5.021 9.934 6.759 1.00 12.51 H new ATOM 0 HG11 VAL A 46 -3.454 8.303 7.726 1.00 45.34 H new ATOM 0 HG12 VAL A 46 -2.606 9.581 6.822 1.00 45.34 H new ATOM 0 HG13 VAL A 46 -2.632 9.617 8.601 1.00 45.34 H new ATOM 0 HG21 VAL A 46 -5.592 8.788 8.862 1.00 24.35 H new ATOM 0 HG22 VAL A 46 -4.861 10.124 9.784 1.00 24.35 H new ATOM 0 HG23 VAL A 46 -6.303 10.418 8.783 1.00 24.35 H new ATOM 759 N ASN A 47 -2.023 12.515 6.837 1.00 21.42 N ATOM 760 CA ASN A 47 -1.011 12.832 5.837 1.00 40.01 C ATOM 761 C ASN A 47 -0.607 11.585 5.057 1.00 42.10 C ATOM 762 O ASN A 47 -0.444 10.499 5.615 1.00 2.14 O ATOM 763 CB ASN A 47 0.220 13.450 6.505 1.00 52.22 C ATOM 764 CG ASN A 47 0.427 14.898 6.105 1.00 45.43 C ATOM 765 OD1 ASN A 47 -0.464 15.733 6.265 1.00 43.04 O ATOM 766 ND2 ASN A 47 1.609 15.203 5.580 1.00 25.12 N ATOM 0 H ASN A 47 -1.756 12.744 7.794 1.00 21.42 H new ATOM 0 HA ASN A 47 -1.439 13.552 5.140 1.00 40.01 H new ATOM 0 HB2 ASN A 47 0.113 13.386 7.588 1.00 52.22 H new ATOM 0 HB3 ASN A 47 1.104 12.872 6.237 1.00 52.22 H new ATOM 0 HD21 ASN A 47 1.807 16.161 5.291 1.00 25.12 H new ATOM 0 HD22 ASN A 47 2.318 14.479 5.466 1.00 25.12 H new ATOM 773 N PRO A 48 -0.440 11.740 3.735 1.00 1.53 N ATOM 774 CA PRO A 48 -0.052 10.638 2.851 1.00 13.51 C ATOM 775 C PRO A 48 1.388 10.192 3.078 1.00 4.32 C ATOM 776 O PRO A 48 1.844 9.211 2.493 1.00 72.41 O ATOM 777 CB PRO A 48 -0.213 11.234 1.450 1.00 43.41 C ATOM 778 CG PRO A 48 -0.053 12.703 1.643 1.00 4.21 C ATOM 779 CD PRO A 48 -0.618 13.006 3.003 1.00 3.13 C ATOM 0 HA PRO A 48 -0.655 9.747 3.022 1.00 13.51 H new ATOM 0 HB2 PRO A 48 0.537 10.841 0.764 1.00 43.41 H new ATOM 0 HB3 PRO A 48 -1.189 10.994 1.027 1.00 43.41 H new ATOM 0 HG2 PRO A 48 0.996 12.992 1.583 1.00 4.21 H new ATOM 0 HG3 PRO A 48 -0.582 13.258 0.868 1.00 4.21 H new ATOM 0 HD2 PRO A 48 -0.087 13.827 3.485 1.00 3.13 H new ATOM 0 HD3 PRO A 48 -1.668 13.294 2.947 1.00 3.13 H new ATOM 787 N GLY A 49 2.101 10.920 3.933 1.00 42.31 N ATOM 788 CA GLY A 49 3.482 10.583 4.222 1.00 1.15 C ATOM 789 C GLY A 49 3.606 9.493 5.268 1.00 33.34 C ATOM 790 O GLY A 49 4.713 9.108 5.649 1.00 52.05 O ATOM 0 H GLY A 49 1.746 11.737 4.430 1.00 42.31 H new ATOM 0 HA2 GLY A 49 3.973 10.259 3.304 1.00 1.15 H new ATOM 0 HA3 GLY A 49 4.006 11.475 4.567 1.00 1.15 H new ATOM 794 N LEU A 50 2.468 8.993 5.738 1.00 51.51 N ATOM 795 CA LEU A 50 2.452 7.942 6.749 1.00 64.33 C ATOM 796 C LEU A 50 2.484 6.561 6.099 1.00 43.54 C ATOM 797 O LEU A 50 2.191 5.554 6.743 1.00 15.22 O ATOM 798 CB LEU A 50 1.211 8.074 7.632 1.00 61.24 C ATOM 799 CG LEU A 50 1.082 9.379 8.418 1.00 2.33 C ATOM 800 CD1 LEU A 50 -0.228 9.411 9.190 1.00 74.34 C ATOM 801 CD2 LEU A 50 2.263 9.552 9.362 1.00 23.22 C ATOM 0 H LEU A 50 1.544 9.299 5.434 1.00 51.51 H new ATOM 0 HA LEU A 50 3.343 8.053 7.367 1.00 64.33 H new ATOM 0 HB2 LEU A 50 0.328 7.964 7.002 1.00 61.24 H new ATOM 0 HB3 LEU A 50 1.203 7.245 8.340 1.00 61.24 H new ATOM 0 HG LEU A 50 1.083 10.208 7.710 1.00 2.33 H new ATOM 0 HD11 LEU A 50 -0.302 10.347 9.743 1.00 74.34 H new ATOM 0 HD12 LEU A 50 -1.063 9.334 8.493 1.00 74.34 H new ATOM 0 HD13 LEU A 50 -0.260 8.574 9.888 1.00 74.34 H new ATOM 0 HD21 LEU A 50 2.154 10.486 9.913 1.00 23.22 H new ATOM 0 HD22 LEU A 50 2.293 8.718 10.063 1.00 23.22 H new ATOM 0 HD23 LEU A 50 3.188 9.576 8.786 1.00 23.22 H new ATOM 813 N LEU A 51 2.843 6.524 4.821 1.00 1.11 N ATOM 814 CA LEU A 51 2.917 5.267 4.084 1.00 74.14 C ATOM 815 C LEU A 51 4.366 4.838 3.881 1.00 52.05 C ATOM 816 O LEU A 51 4.635 3.768 3.335 1.00 10.43 O ATOM 817 CB LEU A 51 2.219 5.407 2.729 1.00 63.42 C ATOM 818 CG LEU A 51 0.773 5.904 2.766 1.00 20.32 C ATOM 819 CD1 LEU A 51 0.160 5.866 1.375 1.00 2.24 C ATOM 820 CD2 LEU A 51 -0.051 5.073 3.737 1.00 33.03 C ATOM 0 H LEU A 51 3.087 7.349 4.273 1.00 1.11 H new ATOM 0 HA LEU A 51 2.411 4.500 4.670 1.00 74.14 H new ATOM 0 HB2 LEU A 51 2.801 6.091 2.112 1.00 63.42 H new ATOM 0 HB3 LEU A 51 2.236 4.437 2.232 1.00 63.42 H new ATOM 0 HG LEU A 51 0.773 6.937 3.112 1.00 20.32 H new ATOM 0 HD11 LEU A 51 -0.869 6.223 1.421 1.00 2.24 H new ATOM 0 HD12 LEU A 51 0.736 6.505 0.706 1.00 2.24 H new ATOM 0 HD13 LEU A 51 0.172 4.843 1.000 1.00 2.24 H new ATOM 0 HD21 LEU A 51 -1.077 5.441 3.751 1.00 33.03 H new ATOM 0 HD22 LEU A 51 -0.043 4.030 3.421 1.00 33.03 H new ATOM 0 HD23 LEU A 51 0.376 5.152 4.737 1.00 33.03 H new ATOM 832 N GLU A 52 5.294 5.679 4.324 1.00 21.42 N ATOM 833 CA GLU A 52 6.717 5.385 4.192 1.00 52.25 C ATOM 834 C GLU A 52 7.335 5.067 5.550 1.00 10.21 C ATOM 835 O GLU A 52 8.400 5.581 5.896 1.00 13.13 O ATOM 836 CB GLU A 52 7.446 6.567 3.550 1.00 24.42 C ATOM 837 CG GLU A 52 7.204 7.889 4.258 1.00 11.11 C ATOM 838 CD GLU A 52 8.067 9.010 3.711 1.00 11.14 C ATOM 839 OE1 GLU A 52 9.140 8.711 3.146 1.00 42.51 O ATOM 840 OE2 GLU A 52 7.668 10.186 3.849 1.00 24.52 O ATOM 0 H GLU A 52 5.087 6.569 4.777 1.00 21.42 H new ATOM 0 HA GLU A 52 6.824 4.510 3.551 1.00 52.25 H new ATOM 0 HB2 GLU A 52 8.516 6.361 3.540 1.00 24.42 H new ATOM 0 HB3 GLU A 52 7.129 6.658 2.511 1.00 24.42 H new ATOM 0 HG2 GLU A 52 6.154 8.163 4.159 1.00 11.11 H new ATOM 0 HG3 GLU A 52 7.403 7.769 5.323 1.00 11.11 H new ATOM 847 N THR A 53 6.660 4.217 6.317 1.00 23.04 N ATOM 848 CA THR A 53 7.141 3.832 7.638 1.00 3.13 C ATOM 849 C THR A 53 6.221 2.799 8.278 1.00 30.22 C ATOM 850 O THR A 53 5.032 3.048 8.474 1.00 41.21 O ATOM 851 CB THR A 53 7.253 5.052 8.573 1.00 72.43 C ATOM 852 OG1 THR A 53 7.087 4.642 9.935 1.00 70.31 O ATOM 853 CG2 THR A 53 6.208 6.100 8.222 1.00 21.20 C ATOM 0 H THR A 53 5.778 3.782 6.046 1.00 23.04 H new ATOM 0 HA THR A 53 8.131 3.397 7.500 1.00 3.13 H new ATOM 0 HB THR A 53 8.242 5.491 8.445 1.00 72.43 H new ATOM 0 HG1 THR A 53 7.161 5.423 10.523 1.00 70.31 H new ATOM 0 HG21 THR A 53 6.306 6.952 8.895 1.00 21.20 H new ATOM 0 HG22 THR A 53 6.356 6.431 7.194 1.00 21.20 H new ATOM 0 HG23 THR A 53 5.212 5.669 8.325 1.00 21.20 H new ATOM 861 N SER A 54 6.780 1.636 8.603 1.00 1.53 N ATOM 862 CA SER A 54 6.008 0.563 9.219 1.00 4.20 C ATOM 863 C SER A 54 5.273 1.064 10.459 1.00 40.35 C ATOM 864 O SER A 54 4.184 0.592 10.780 1.00 14.13 O ATOM 865 CB SER A 54 6.926 -0.603 9.594 1.00 53.44 C ATOM 866 OG SER A 54 8.287 -0.261 9.403 1.00 23.13 O ATOM 0 H SER A 54 7.764 1.414 8.450 1.00 1.53 H new ATOM 0 HA SER A 54 5.270 0.218 8.495 1.00 4.20 H new ATOM 0 HB2 SER A 54 6.760 -0.881 10.635 1.00 53.44 H new ATOM 0 HB3 SER A 54 6.678 -1.475 8.988 1.00 53.44 H new ATOM 0 HG SER A 54 8.853 -1.021 9.651 1.00 23.13 H new ATOM 872 N GLU A 55 5.879 2.026 11.150 1.00 11.01 N ATOM 873 CA GLU A 55 5.282 2.591 12.354 1.00 25.01 C ATOM 874 C GLU A 55 4.284 3.690 12.003 1.00 31.52 C ATOM 875 O GLU A 55 3.384 3.999 12.783 1.00 75.22 O ATOM 876 CB GLU A 55 6.369 3.150 13.275 1.00 70.21 C ATOM 877 CG GLU A 55 6.924 2.128 14.252 1.00 22.22 C ATOM 878 CD GLU A 55 5.900 1.687 15.281 1.00 45.54 C ATOM 879 OE1 GLU A 55 5.306 2.565 15.940 1.00 73.14 O ATOM 880 OE2 GLU A 55 5.694 0.464 15.425 1.00 3.33 O ATOM 0 H GLU A 55 6.781 2.429 10.897 1.00 11.01 H new ATOM 0 HA GLU A 55 4.750 1.793 12.873 1.00 25.01 H new ATOM 0 HB2 GLU A 55 7.185 3.538 12.666 1.00 70.21 H new ATOM 0 HB3 GLU A 55 5.961 3.991 13.835 1.00 70.21 H new ATOM 0 HG2 GLU A 55 7.276 1.257 13.699 1.00 22.22 H new ATOM 0 HG3 GLU A 55 7.788 2.552 14.764 1.00 22.22 H new ATOM 887 N GLY A 56 4.450 4.277 10.822 1.00 72.22 N ATOM 888 CA GLY A 56 3.557 5.336 10.387 1.00 72.55 C ATOM 889 C GLY A 56 2.259 4.801 9.816 1.00 12.03 C ATOM 890 O GLY A 56 1.213 5.441 9.927 1.00 1.51 O ATOM 0 H GLY A 56 5.187 4.038 10.158 1.00 72.22 H new ATOM 0 HA2 GLY A 56 3.337 5.991 11.230 1.00 72.55 H new ATOM 0 HA3 GLY A 56 4.059 5.944 9.634 1.00 72.55 H new ATOM 894 N CYS A 57 2.325 3.625 9.202 1.00 75.33 N ATOM 895 CA CYS A 57 1.145 3.005 8.609 1.00 32.30 C ATOM 896 C CYS A 57 0.171 2.545 9.689 1.00 41.14 C ATOM 897 O CYS A 57 -0.967 3.010 9.751 1.00 32.11 O ATOM 898 CB CYS A 57 1.552 1.818 7.734 1.00 10.21 C ATOM 899 SG CYS A 57 2.816 2.209 6.501 1.00 11.44 S ATOM 0 H CYS A 57 3.182 3.082 9.102 1.00 75.33 H new ATOM 0 HA CYS A 57 0.647 3.750 7.989 1.00 32.30 H new ATOM 0 HB2 CYS A 57 1.921 1.017 8.375 1.00 10.21 H new ATOM 0 HB3 CYS A 57 0.668 1.436 7.224 1.00 10.21 H new ATOM 0 HG CYS A 57 3.891 2.628 7.100 1.00 11.44 H new ATOM 905 N ARG A 58 0.625 1.628 10.537 1.00 42.10 N ATOM 906 CA ARG A 58 -0.206 1.103 11.613 1.00 50.43 C ATOM 907 C ARG A 58 -0.851 2.238 12.405 1.00 71.22 C ATOM 908 O ARG A 58 -1.959 2.095 12.920 1.00 32.44 O ATOM 909 CB ARG A 58 0.626 0.224 12.548 1.00 53.04 C ATOM 910 CG ARG A 58 0.197 -1.234 12.554 1.00 64.25 C ATOM 911 CD ARG A 58 -0.929 -1.480 13.545 1.00 53.43 C ATOM 912 NE ARG A 58 -0.498 -1.275 14.925 1.00 53.35 N ATOM 913 CZ ARG A 58 -1.249 -1.569 15.981 1.00 51.01 C ATOM 914 NH1 ARG A 58 -2.461 -2.080 15.815 1.00 41.34 N ATOM 915 NH2 ARG A 58 -0.787 -1.354 17.206 1.00 61.51 N ATOM 0 H ARG A 58 1.565 1.233 10.499 1.00 42.10 H new ATOM 0 HA ARG A 58 -0.996 0.499 11.166 1.00 50.43 H new ATOM 0 HB2 ARG A 58 1.674 0.285 12.253 1.00 53.04 H new ATOM 0 HB3 ARG A 58 0.557 0.619 13.562 1.00 53.04 H new ATOM 0 HG2 ARG A 58 -0.127 -1.523 11.554 1.00 64.25 H new ATOM 0 HG3 ARG A 58 1.050 -1.864 12.807 1.00 64.25 H new ATOM 0 HD2 ARG A 58 -1.761 -0.812 13.322 1.00 53.43 H new ATOM 0 HD3 ARG A 58 -1.299 -2.499 13.428 1.00 53.43 H new ATOM 0 HE ARG A 58 0.430 -0.885 15.087 1.00 53.35 H new ATOM 0 HH11 ARG A 58 -2.819 -2.248 14.875 1.00 41.34 H new ATOM 0 HH12 ARG A 58 -3.035 -2.305 16.627 1.00 41.34 H new ATOM 0 HH21 ARG A 58 0.146 -0.963 17.338 1.00 61.51 H new ATOM 0 HH22 ARG A 58 -1.364 -1.580 18.016 1.00 61.51 H new ATOM 929 N GLN A 59 -0.148 3.362 12.496 1.00 31.20 N ATOM 930 CA GLN A 59 -0.652 4.520 13.226 1.00 21.14 C ATOM 931 C GLN A 59 -1.939 5.043 12.596 1.00 42.22 C ATOM 932 O GLN A 59 -2.816 5.558 13.290 1.00 64.51 O ATOM 933 CB GLN A 59 0.403 5.627 13.257 1.00 15.52 C ATOM 934 CG GLN A 59 1.352 5.531 14.440 1.00 14.34 C ATOM 935 CD GLN A 59 1.115 6.619 15.469 1.00 21.52 C ATOM 936 OE1 GLN A 59 1.651 7.721 15.359 1.00 72.14 O ATOM 937 NE2 GLN A 59 0.308 6.313 16.478 1.00 14.14 N ATOM 0 H GLN A 59 0.771 3.496 12.074 1.00 31.20 H new ATOM 0 HA GLN A 59 -0.871 4.208 14.247 1.00 21.14 H new ATOM 0 HB2 GLN A 59 0.982 5.592 12.334 1.00 15.52 H new ATOM 0 HB3 GLN A 59 -0.098 6.594 13.282 1.00 15.52 H new ATOM 0 HG2 GLN A 59 1.237 4.556 14.915 1.00 14.34 H new ATOM 0 HG3 GLN A 59 2.380 5.592 14.082 1.00 14.34 H new ATOM 0 HE21 GLN A 59 -0.115 5.386 16.530 1.00 14.14 H new ATOM 0 HE22 GLN A 59 0.111 7.005 17.201 1.00 14.14 H new ATOM 946 N ILE A 60 -2.044 4.908 11.279 1.00 62.33 N ATOM 947 CA ILE A 60 -3.223 5.366 10.556 1.00 50.31 C ATOM 948 C ILE A 60 -4.457 4.561 10.950 1.00 61.24 C ATOM 949 O ILE A 60 -5.532 5.120 11.171 1.00 35.23 O ATOM 950 CB ILE A 60 -3.024 5.266 9.032 1.00 14.52 C ATOM 951 CG1 ILE A 60 -1.736 5.979 8.616 1.00 20.11 C ATOM 952 CG2 ILE A 60 -4.222 5.857 8.301 1.00 22.12 C ATOM 953 CD1 ILE A 60 -1.147 5.458 7.324 1.00 31.22 C ATOM 0 H ILE A 60 -1.326 4.485 10.691 1.00 62.33 H new ATOM 0 HA ILE A 60 -3.372 6.411 10.827 1.00 50.31 H new ATOM 0 HB ILE A 60 -2.939 4.214 8.760 1.00 14.52 H new ATOM 0 HG12 ILE A 60 -1.938 7.045 8.510 1.00 20.11 H new ATOM 0 HG13 ILE A 60 -0.998 5.872 9.411 1.00 20.11 H new ATOM 0 HG21 ILE A 60 -4.066 5.779 7.225 1.00 22.12 H new ATOM 0 HG22 ILE A 60 -5.123 5.310 8.578 1.00 22.12 H new ATOM 0 HG23 ILE A 60 -4.335 6.906 8.576 1.00 22.12 H new ATOM 0 HD11 ILE A 60 -0.236 6.009 7.091 1.00 31.22 H new ATOM 0 HD12 ILE A 60 -0.913 4.399 7.432 1.00 31.22 H new ATOM 0 HD13 ILE A 60 -1.867 5.590 6.517 1.00 31.22 H new ATOM 965 N LEU A 61 -4.295 3.246 11.038 1.00 45.12 N ATOM 966 CA LEU A 61 -5.395 2.362 11.408 1.00 53.25 C ATOM 967 C LEU A 61 -5.994 2.771 12.750 1.00 61.43 C ATOM 968 O LEU A 61 -7.164 2.505 13.026 1.00 65.02 O ATOM 969 CB LEU A 61 -4.911 0.913 11.472 1.00 33.44 C ATOM 970 CG LEU A 61 -4.191 0.388 10.228 1.00 11.53 C ATOM 971 CD1 LEU A 61 -3.341 -0.824 10.575 1.00 73.35 C ATOM 972 CD2 LEU A 61 -5.194 0.047 9.136 1.00 21.33 C ATOM 0 H LEU A 61 -3.412 2.768 10.858 1.00 45.12 H new ATOM 0 HA LEU A 61 -6.169 2.446 10.645 1.00 53.25 H new ATOM 0 HB2 LEU A 61 -4.240 0.813 12.325 1.00 33.44 H new ATOM 0 HB3 LEU A 61 -5.771 0.272 11.667 1.00 33.44 H new ATOM 0 HG LEU A 61 -3.532 1.171 9.854 1.00 11.53 H new ATOM 0 HD11 LEU A 61 -2.837 -1.184 9.678 1.00 73.35 H new ATOM 0 HD12 LEU A 61 -2.598 -0.545 11.322 1.00 73.35 H new ATOM 0 HD13 LEU A 61 -3.978 -1.613 10.974 1.00 73.35 H new ATOM 0 HD21 LEU A 61 -4.664 -0.325 8.259 1.00 21.33 H new ATOM 0 HD22 LEU A 61 -5.879 -0.719 9.498 1.00 21.33 H new ATOM 0 HD23 LEU A 61 -5.758 0.941 8.868 1.00 21.33 H new ATOM 984 N GLY A 62 -5.184 3.420 13.580 1.00 21.33 N ATOM 985 CA GLY A 62 -5.653 3.856 14.882 1.00 2.24 C ATOM 986 C GLY A 62 -6.641 5.002 14.789 1.00 12.30 C ATOM 987 O GLY A 62 -7.502 5.158 15.654 1.00 1.15 O ATOM 0 H GLY A 62 -4.212 3.652 13.374 1.00 21.33 H new ATOM 0 HA2 GLY A 62 -6.122 3.017 15.395 1.00 2.24 H new ATOM 0 HA3 GLY A 62 -4.800 4.164 15.487 1.00 2.24 H new ATOM 991 N GLN A 63 -6.517 5.805 13.737 1.00 25.34 N ATOM 992 CA GLN A 63 -7.405 6.943 13.536 1.00 31.43 C ATOM 993 C GLN A 63 -8.765 6.487 13.019 1.00 21.10 C ATOM 994 O GLN A 63 -9.722 7.262 12.990 1.00 62.24 O ATOM 995 CB GLN A 63 -6.780 7.938 12.556 1.00 12.24 C ATOM 996 CG GLN A 63 -6.138 9.138 13.234 1.00 61.34 C ATOM 997 CD GLN A 63 -7.069 10.333 13.307 1.00 25.12 C ATOM 998 OE1 GLN A 63 -8.286 10.181 13.402 1.00 33.52 O ATOM 999 NE2 GLN A 63 -6.497 11.531 13.264 1.00 32.11 N ATOM 0 H GLN A 63 -5.810 5.688 13.011 1.00 25.34 H new ATOM 0 HA GLN A 63 -7.549 7.434 14.498 1.00 31.43 H new ATOM 0 HB2 GLN A 63 -6.028 7.423 11.959 1.00 12.24 H new ATOM 0 HB3 GLN A 63 -7.549 8.288 11.867 1.00 12.24 H new ATOM 0 HG2 GLN A 63 -5.830 8.860 14.242 1.00 61.34 H new ATOM 0 HG3 GLN A 63 -5.235 9.418 12.691 1.00 61.34 H new ATOM 0 HE21 GLN A 63 -5.483 11.610 13.185 1.00 32.11 H new ATOM 0 HE22 GLN A 63 -7.072 12.372 13.310 1.00 32.11 H new ATOM 1008 N LEU A 64 -8.844 5.225 12.610 1.00 2.12 N ATOM 1009 CA LEU A 64 -10.088 4.666 12.093 1.00 65.42 C ATOM 1010 C LEU A 64 -10.571 3.511 12.966 1.00 4.54 C ATOM 1011 O LEU A 64 -11.732 3.111 12.896 1.00 13.41 O ATOM 1012 CB LEU A 64 -9.894 4.184 10.655 1.00 44.25 C ATOM 1013 CG LEU A 64 -9.060 5.093 9.750 1.00 74.35 C ATOM 1014 CD1 LEU A 64 -8.832 4.435 8.398 1.00 71.53 C ATOM 1015 CD2 LEU A 64 -9.740 6.444 9.578 1.00 30.31 C ATOM 0 H LEU A 64 -8.062 4.570 12.626 1.00 2.12 H new ATOM 0 HA LEU A 64 -10.844 5.451 12.109 1.00 65.42 H new ATOM 0 HB2 LEU A 64 -9.423 3.201 10.683 1.00 44.25 H new ATOM 0 HB3 LEU A 64 -10.876 4.054 10.201 1.00 44.25 H new ATOM 0 HG LEU A 64 -8.091 5.253 10.223 1.00 74.35 H new ATOM 0 HD11 LEU A 64 -8.237 5.096 7.767 1.00 71.53 H new ATOM 0 HD12 LEU A 64 -8.303 3.492 8.537 1.00 71.53 H new ATOM 0 HD13 LEU A 64 -9.793 4.245 7.919 1.00 71.53 H new ATOM 0 HD21 LEU A 64 -9.133 7.077 8.931 1.00 30.31 H new ATOM 0 HD22 LEU A 64 -10.723 6.302 9.128 1.00 30.31 H new ATOM 0 HD23 LEU A 64 -9.852 6.921 10.551 1.00 30.31 H new ATOM 1027 N GLN A 65 -9.671 2.983 13.790 1.00 54.41 N ATOM 1028 CA GLN A 65 -10.006 1.877 14.679 1.00 63.25 C ATOM 1029 C GLN A 65 -11.287 2.170 15.454 1.00 44.20 C ATOM 1030 O GLN A 65 -12.271 1.435 15.375 1.00 42.24 O ATOM 1031 CB GLN A 65 -8.856 1.610 15.651 1.00 21.43 C ATOM 1032 CG GLN A 65 -8.225 0.237 15.486 1.00 55.15 C ATOM 1033 CD GLN A 65 -7.827 -0.386 16.808 1.00 33.40 C ATOM 1034 OE1 GLN A 65 -6.644 -0.459 17.143 1.00 33.30 O ATOM 1035 NE2 GLN A 65 -8.816 -0.840 17.570 1.00 32.43 N ATOM 0 H GLN A 65 -8.705 3.303 13.860 1.00 54.41 H new ATOM 0 HA GLN A 65 -10.169 0.989 14.068 1.00 63.25 H new ATOM 0 HB2 GLN A 65 -8.089 2.372 15.511 1.00 21.43 H new ATOM 0 HB3 GLN A 65 -9.224 1.711 16.672 1.00 21.43 H new ATOM 0 HG2 GLN A 65 -8.927 -0.422 14.975 1.00 55.15 H new ATOM 0 HG3 GLN A 65 -7.345 0.320 14.849 1.00 55.15 H new ATOM 0 HE21 GLN A 65 -9.782 -0.759 17.253 1.00 32.43 H new ATOM 0 HE22 GLN A 65 -8.609 -1.269 18.472 1.00 32.43 H new ATOM 1044 N PRO A 66 -11.274 3.269 16.223 1.00 55.32 N ATOM 1045 CA PRO A 66 -12.428 3.684 17.027 1.00 2.10 C ATOM 1046 C PRO A 66 -13.586 4.178 16.168 1.00 52.24 C ATOM 1047 O PRO A 66 -14.624 4.591 16.686 1.00 3.24 O ATOM 1048 CB PRO A 66 -11.871 4.826 17.881 1.00 11.10 C ATOM 1049 CG PRO A 66 -10.727 5.366 17.094 1.00 71.44 C ATOM 1050 CD PRO A 66 -10.136 4.192 16.364 1.00 22.43 C ATOM 0 HA PRO A 66 -12.838 2.858 17.608 1.00 2.10 H new ATOM 0 HB2 PRO A 66 -12.626 5.592 18.058 1.00 11.10 H new ATOM 0 HB3 PRO A 66 -11.545 4.467 18.857 1.00 11.10 H new ATOM 0 HG2 PRO A 66 -11.062 6.132 16.395 1.00 71.44 H new ATOM 0 HG3 PRO A 66 -9.989 5.831 17.747 1.00 71.44 H new ATOM 0 HD2 PRO A 66 -9.733 4.484 15.394 1.00 22.43 H new ATOM 0 HD3 PRO A 66 -9.319 3.739 16.926 1.00 22.43 H new ATOM 1058 N SER A 67 -13.404 4.133 14.852 1.00 23.32 N ATOM 1059 CA SER A 67 -14.433 4.579 13.921 1.00 70.11 C ATOM 1060 C SER A 67 -14.964 3.409 13.098 1.00 54.45 C ATOM 1061 O SER A 67 -15.990 3.525 12.425 1.00 23.43 O ATOM 1062 CB SER A 67 -13.877 5.660 12.993 1.00 71.04 C ATOM 1063 OG SER A 67 -12.935 6.476 13.667 1.00 64.40 O ATOM 0 H SER A 67 -12.552 3.792 14.406 1.00 23.32 H new ATOM 0 HA SER A 67 -15.257 4.997 14.500 1.00 70.11 H new ATOM 0 HB2 SER A 67 -13.406 5.194 12.128 1.00 71.04 H new ATOM 0 HB3 SER A 67 -14.694 6.276 12.617 1.00 71.04 H new ATOM 0 HG SER A 67 -12.593 7.158 13.052 1.00 64.40 H new ATOM 1069 N LEU A 68 -14.261 2.284 13.157 1.00 2.30 N ATOM 1070 CA LEU A 68 -14.660 1.093 12.418 1.00 62.35 C ATOM 1071 C LEU A 68 -16.057 0.640 12.828 1.00 35.41 C ATOM 1072 O LEU A 68 -16.867 0.255 11.985 1.00 54.24 O ATOM 1073 CB LEU A 68 -13.657 -0.038 12.653 1.00 43.14 C ATOM 1074 CG LEU A 68 -12.353 0.045 11.856 1.00 11.05 C ATOM 1075 CD1 LEU A 68 -11.379 -1.029 12.314 1.00 45.10 C ATOM 1076 CD2 LEU A 68 -12.630 -0.083 10.366 1.00 43.44 C ATOM 0 H LEU A 68 -13.411 2.172 13.710 1.00 2.30 H new ATOM 0 HA LEU A 68 -14.675 1.343 11.357 1.00 62.35 H new ATOM 0 HB2 LEU A 68 -13.410 -0.063 13.714 1.00 43.14 H new ATOM 0 HB3 LEU A 68 -14.144 -0.984 12.417 1.00 43.14 H new ATOM 0 HG LEU A 68 -11.899 1.019 12.038 1.00 11.05 H new ATOM 0 HD11 LEU A 68 -10.458 -0.955 11.736 1.00 45.10 H new ATOM 0 HD12 LEU A 68 -11.156 -0.891 13.372 1.00 45.10 H new ATOM 0 HD13 LEU A 68 -11.824 -2.012 12.162 1.00 45.10 H new ATOM 0 HD21 LEU A 68 -11.692 -0.022 9.815 1.00 43.44 H new ATOM 0 HD22 LEU A 68 -13.107 -1.043 10.166 1.00 43.44 H new ATOM 0 HD23 LEU A 68 -13.291 0.724 10.048 1.00 43.44 H new ATOM 1088 N GLN A 69 -16.333 0.691 14.127 1.00 55.41 N ATOM 1089 CA GLN A 69 -17.634 0.288 14.648 1.00 51.11 C ATOM 1090 C GLN A 69 -18.763 0.964 13.877 1.00 2.34 C ATOM 1091 O GLN A 69 -19.776 0.340 13.562 1.00 61.24 O ATOM 1092 CB GLN A 69 -17.739 0.629 16.136 1.00 42.54 C ATOM 1093 CG GLN A 69 -18.742 -0.229 16.888 1.00 62.42 C ATOM 1094 CD GLN A 69 -18.153 -0.859 18.134 1.00 3.35 C ATOM 1095 OE1 GLN A 69 -17.020 -1.341 18.123 1.00 23.42 O ATOM 1096 NE2 GLN A 69 -18.919 -0.857 19.218 1.00 21.14 N ATOM 0 H GLN A 69 -15.673 1.007 14.838 1.00 55.41 H new ATOM 0 HA GLN A 69 -17.729 -0.791 14.523 1.00 51.11 H new ATOM 0 HB2 GLN A 69 -16.758 0.514 16.597 1.00 42.54 H new ATOM 0 HB3 GLN A 69 -18.019 1.677 16.241 1.00 42.54 H new ATOM 0 HG2 GLN A 69 -19.601 0.382 17.166 1.00 62.42 H new ATOM 0 HG3 GLN A 69 -19.110 -1.014 16.228 1.00 62.42 H new ATOM 0 HE21 GLN A 69 -19.852 -0.447 19.182 1.00 21.14 H new ATOM 0 HE22 GLN A 69 -18.575 -1.266 20.087 1.00 21.14 H new ATOM 1105 N THR A 70 -18.582 2.247 13.577 1.00 42.30 N ATOM 1106 CA THR A 70 -19.585 3.009 12.844 1.00 13.31 C ATOM 1107 C THR A 70 -18.946 3.834 11.733 1.00 11.44 C ATOM 1108 O THR A 70 -19.126 5.050 11.667 1.00 34.13 O ATOM 1109 CB THR A 70 -20.371 3.948 13.780 1.00 42.23 C ATOM 1110 OG1 THR A 70 -19.466 4.801 14.490 1.00 2.05 O ATOM 1111 CG2 THR A 70 -21.207 3.150 14.769 1.00 4.43 C ATOM 0 H THR A 70 -17.750 2.780 13.831 1.00 42.30 H new ATOM 0 HA THR A 70 -20.273 2.286 12.405 1.00 13.31 H new ATOM 0 HB THR A 70 -21.040 4.556 13.171 1.00 42.23 H new ATOM 0 HG1 THR A 70 -18.991 5.376 13.854 1.00 2.05 H new ATOM 0 HG21 THR A 70 -21.753 3.834 15.419 1.00 4.43 H new ATOM 0 HG22 THR A 70 -21.914 2.524 14.225 1.00 4.43 H new ATOM 0 HG23 THR A 70 -20.554 2.520 15.372 1.00 4.43 H new ATOM 1119 N GLY A 71 -18.197 3.167 10.862 1.00 74.43 N ATOM 1120 CA GLY A 71 -17.544 3.855 9.764 1.00 2.15 C ATOM 1121 C GLY A 71 -18.083 3.434 8.412 1.00 41.22 C ATOM 1122 O GLY A 71 -18.336 2.253 8.177 1.00 14.34 O ATOM 0 H GLY A 71 -18.030 2.161 10.897 1.00 74.43 H new ATOM 0 HA2 GLY A 71 -17.674 4.930 9.885 1.00 2.15 H new ATOM 0 HA3 GLY A 71 -16.473 3.658 9.802 1.00 2.15 H new ATOM 1126 N SER A 72 -18.260 4.403 7.520 1.00 61.04 N ATOM 1127 CA SER A 72 -18.777 4.128 6.184 1.00 13.22 C ATOM 1128 C SER A 72 -17.852 3.181 5.427 1.00 52.01 C ATOM 1129 O SER A 72 -16.719 2.940 5.842 1.00 62.03 O ATOM 1130 CB SER A 72 -18.945 5.431 5.401 1.00 75.34 C ATOM 1131 OG SER A 72 -17.762 5.753 4.688 1.00 13.24 O ATOM 0 H SER A 72 -18.053 5.386 7.698 1.00 61.04 H new ATOM 0 HA SER A 72 -19.750 3.648 6.290 1.00 13.22 H new ATOM 0 HB2 SER A 72 -19.779 5.336 4.705 1.00 75.34 H new ATOM 0 HB3 SER A 72 -19.193 6.242 6.086 1.00 75.34 H new ATOM 0 HG SER A 72 -17.895 6.589 4.194 1.00 13.24 H new ATOM 1137 N GLU A 73 -18.344 2.646 4.313 1.00 14.23 N ATOM 1138 CA GLU A 73 -17.562 1.725 3.499 1.00 64.32 C ATOM 1139 C GLU A 73 -16.357 2.431 2.884 1.00 61.11 C ATOM 1140 O GLU A 73 -15.422 1.786 2.410 1.00 3.04 O ATOM 1141 CB GLU A 73 -18.431 1.122 2.393 1.00 34.43 C ATOM 1142 CG GLU A 73 -18.017 -0.284 1.992 1.00 10.42 C ATOM 1143 CD GLU A 73 -18.116 -0.517 0.497 1.00 3.32 C ATOM 1144 OE1 GLU A 73 -19.240 -0.442 -0.041 1.00 14.24 O ATOM 1145 OE2 GLU A 73 -17.070 -0.774 -0.134 1.00 43.35 O ATOM 0 H GLU A 73 -19.280 2.835 3.955 1.00 14.23 H new ATOM 0 HA GLU A 73 -17.202 0.925 4.146 1.00 64.32 H new ATOM 0 HB2 GLU A 73 -19.469 1.105 2.726 1.00 34.43 H new ATOM 0 HB3 GLU A 73 -18.389 1.768 1.516 1.00 34.43 H new ATOM 0 HG2 GLU A 73 -16.992 -0.464 2.317 1.00 10.42 H new ATOM 0 HG3 GLU A 73 -18.647 -1.006 2.511 1.00 10.42 H new ATOM 1152 N GLU A 74 -16.388 3.760 2.895 1.00 41.31 N ATOM 1153 CA GLU A 74 -15.298 4.554 2.337 1.00 53.01 C ATOM 1154 C GLU A 74 -14.084 4.536 3.261 1.00 71.33 C ATOM 1155 O GLU A 74 -12.980 4.910 2.860 1.00 32.33 O ATOM 1156 CB GLU A 74 -15.756 5.996 2.107 1.00 41.14 C ATOM 1157 CG GLU A 74 -15.416 6.528 0.725 1.00 44.33 C ATOM 1158 CD GLU A 74 -16.611 6.538 -0.208 1.00 73.20 C ATOM 1159 OE1 GLU A 74 -17.557 5.759 0.031 1.00 14.01 O ATOM 1160 OE2 GLU A 74 -16.600 7.325 -1.178 1.00 33.05 O ATOM 0 H GLU A 74 -17.155 4.309 3.283 1.00 41.31 H new ATOM 0 HA GLU A 74 -15.012 4.113 1.382 1.00 53.01 H new ATOM 0 HB2 GLU A 74 -16.834 6.054 2.255 1.00 41.14 H new ATOM 0 HB3 GLU A 74 -15.297 6.639 2.858 1.00 41.14 H new ATOM 0 HG2 GLU A 74 -15.023 7.541 0.816 1.00 44.33 H new ATOM 0 HG3 GLU A 74 -14.625 5.917 0.289 1.00 44.33 H new ATOM 1167 N LEU A 75 -14.294 4.098 4.497 1.00 50.55 N ATOM 1168 CA LEU A 75 -13.217 4.031 5.479 1.00 74.31 C ATOM 1169 C LEU A 75 -12.637 2.622 5.555 1.00 53.14 C ATOM 1170 O LEU A 75 -11.440 2.445 5.780 1.00 75.21 O ATOM 1171 CB LEU A 75 -13.728 4.460 6.856 1.00 61.13 C ATOM 1172 CG LEU A 75 -12.752 4.281 8.019 1.00 21.33 C ATOM 1173 CD1 LEU A 75 -12.799 5.486 8.944 1.00 1.54 C ATOM 1174 CD2 LEU A 75 -13.064 3.005 8.786 1.00 75.51 C ATOM 0 H LEU A 75 -15.200 3.784 4.844 1.00 50.55 H new ATOM 0 HA LEU A 75 -12.427 4.713 5.163 1.00 74.31 H new ATOM 0 HB2 LEU A 75 -14.012 5.511 6.805 1.00 61.13 H new ATOM 0 HB3 LEU A 75 -14.634 3.895 7.078 1.00 61.13 H new ATOM 0 HG LEU A 75 -11.744 4.199 7.613 1.00 21.33 H new ATOM 0 HD11 LEU A 75 -12.098 5.341 9.766 1.00 1.54 H new ATOM 0 HD12 LEU A 75 -12.526 6.383 8.388 1.00 1.54 H new ATOM 0 HD13 LEU A 75 -13.807 5.600 9.343 1.00 1.54 H new ATOM 0 HD21 LEU A 75 -12.359 2.894 9.610 1.00 75.51 H new ATOM 0 HD22 LEU A 75 -14.079 3.057 9.181 1.00 75.51 H new ATOM 0 HD23 LEU A 75 -12.978 2.148 8.117 1.00 75.51 H new ATOM 1186 N ARG A 76 -13.493 1.624 5.363 1.00 40.43 N ATOM 1187 CA ARG A 76 -13.065 0.231 5.409 1.00 74.11 C ATOM 1188 C ARG A 76 -12.036 -0.058 4.320 1.00 2.15 C ATOM 1189 O ARG A 76 -11.109 -0.842 4.521 1.00 32.21 O ATOM 1190 CB ARG A 76 -14.269 -0.699 5.248 1.00 30.21 C ATOM 1191 CG ARG A 76 -14.568 -1.528 6.486 1.00 13.04 C ATOM 1192 CD ARG A 76 -14.047 -2.950 6.346 1.00 0.31 C ATOM 1193 NE ARG A 76 -13.518 -3.465 7.605 1.00 73.41 N ATOM 1194 CZ ARG A 76 -12.695 -4.506 7.686 1.00 74.12 C ATOM 1195 NH1 ARG A 76 -12.310 -5.136 6.585 1.00 24.21 N ATOM 1196 NH2 ARG A 76 -12.256 -4.916 8.869 1.00 73.11 N ATOM 0 H ARG A 76 -14.487 1.754 5.174 1.00 40.43 H new ATOM 0 HA ARG A 76 -12.602 0.051 6.379 1.00 74.11 H new ATOM 0 HB2 ARG A 76 -15.147 -0.103 4.999 1.00 30.21 H new ATOM 0 HB3 ARG A 76 -14.090 -1.369 4.407 1.00 30.21 H new ATOM 0 HG2 ARG A 76 -14.114 -1.058 7.358 1.00 13.04 H new ATOM 0 HG3 ARG A 76 -15.644 -1.549 6.659 1.00 13.04 H new ATOM 0 HD2 ARG A 76 -14.851 -3.598 5.999 1.00 0.31 H new ATOM 0 HD3 ARG A 76 -13.266 -2.977 5.587 1.00 0.31 H new ATOM 0 HE ARG A 76 -13.795 -3.001 8.470 1.00 73.41 H new ATOM 0 HH11 ARG A 76 -12.645 -4.822 5.674 1.00 24.21 H new ATOM 0 HH12 ARG A 76 -11.679 -5.934 6.649 1.00 24.21 H new ATOM 0 HH21 ARG A 76 -12.550 -4.432 9.718 1.00 73.11 H new ATOM 0 HH22 ARG A 76 -11.625 -5.715 8.930 1.00 73.11 H new ATOM 1210 N SER A 77 -12.207 0.581 3.168 1.00 44.45 N ATOM 1211 CA SER A 77 -11.295 0.390 2.045 1.00 54.21 C ATOM 1212 C SER A 77 -9.878 0.813 2.419 1.00 51.41 C ATOM 1213 O SER A 77 -8.900 0.277 1.897 1.00 3.42 O ATOM 1214 CB SER A 77 -11.774 1.188 0.830 1.00 24.11 C ATOM 1215 OG SER A 77 -12.806 0.500 0.145 1.00 54.04 O ATOM 0 H SER A 77 -12.968 1.235 2.987 1.00 44.45 H new ATOM 0 HA SER A 77 -11.285 -0.670 1.793 1.00 54.21 H new ATOM 0 HB2 SER A 77 -12.135 2.165 1.151 1.00 24.11 H new ATOM 0 HB3 SER A 77 -10.938 1.364 0.153 1.00 24.11 H new ATOM 0 HG SER A 77 -13.097 1.030 -0.626 1.00 54.04 H new ATOM 1221 N LEU A 78 -9.775 1.779 3.325 1.00 31.02 N ATOM 1222 CA LEU A 78 -8.477 2.276 3.769 1.00 21.24 C ATOM 1223 C LEU A 78 -7.820 1.295 4.734 1.00 61.51 C ATOM 1224 O LEU A 78 -6.687 0.861 4.519 1.00 53.43 O ATOM 1225 CB LEU A 78 -8.634 3.641 4.442 1.00 54.53 C ATOM 1226 CG LEU A 78 -8.162 4.848 3.630 1.00 0.20 C ATOM 1227 CD1 LEU A 78 -6.736 4.638 3.145 1.00 11.35 C ATOM 1228 CD2 LEU A 78 -9.095 5.099 2.455 1.00 54.10 C ATOM 0 H LEU A 78 -10.574 2.234 3.767 1.00 31.02 H new ATOM 0 HA LEU A 78 -7.837 2.381 2.893 1.00 21.24 H new ATOM 0 HB2 LEU A 78 -9.686 3.783 4.689 1.00 54.53 H new ATOM 0 HB3 LEU A 78 -8.085 3.625 5.384 1.00 54.53 H new ATOM 0 HG LEU A 78 -8.180 5.726 4.276 1.00 0.20 H new ATOM 0 HD11 LEU A 78 -6.416 5.506 2.569 1.00 11.35 H new ATOM 0 HD12 LEU A 78 -6.076 4.508 4.002 1.00 11.35 H new ATOM 0 HD13 LEU A 78 -6.693 3.749 2.516 1.00 11.35 H new ATOM 0 HD21 LEU A 78 -8.743 5.962 1.889 1.00 54.10 H new ATOM 0 HD22 LEU A 78 -9.110 4.222 1.808 1.00 54.10 H new ATOM 0 HD23 LEU A 78 -10.102 5.294 2.825 1.00 54.10 H new ATOM 1240 N TYR A 79 -8.538 0.946 5.796 1.00 3.25 N ATOM 1241 CA TYR A 79 -8.024 0.015 6.794 1.00 24.02 C ATOM 1242 C TYR A 79 -7.417 -1.217 6.128 1.00 2.15 C ATOM 1243 O TYR A 79 -6.304 -1.628 6.456 1.00 35.13 O ATOM 1244 CB TYR A 79 -9.140 -0.406 7.752 1.00 61.45 C ATOM 1245 CG TYR A 79 -8.647 -0.773 9.132 1.00 13.44 C ATOM 1246 CD1 TYR A 79 -8.108 -2.028 9.389 1.00 15.14 C ATOM 1247 CD2 TYR A 79 -8.718 0.136 10.181 1.00 72.55 C ATOM 1248 CE1 TYR A 79 -7.657 -2.368 10.650 1.00 51.44 C ATOM 1249 CE2 TYR A 79 -8.268 -0.194 11.445 1.00 41.24 C ATOM 1250 CZ TYR A 79 -7.739 -1.447 11.674 1.00 73.12 C ATOM 1251 OH TYR A 79 -7.289 -1.781 12.932 1.00 50.44 O ATOM 0 H TYR A 79 -9.478 1.294 5.988 1.00 3.25 H new ATOM 0 HA TYR A 79 -7.242 0.522 7.359 1.00 24.02 H new ATOM 0 HB2 TYR A 79 -9.860 0.408 7.837 1.00 61.45 H new ATOM 0 HB3 TYR A 79 -9.670 -1.258 7.326 1.00 61.45 H new ATOM 0 HD1 TYR A 79 -8.040 -2.750 8.589 1.00 15.14 H new ATOM 0 HD2 TYR A 79 -9.132 1.118 10.005 1.00 72.55 H new ATOM 0 HE1 TYR A 79 -7.243 -3.349 10.833 1.00 51.44 H new ATOM 0 HE2 TYR A 79 -8.330 0.525 12.249 1.00 41.24 H new ATOM 0 HH TYR A 79 -6.689 -1.080 13.262 1.00 50.44 H new ATOM 1261 N ASN A 80 -8.158 -1.800 5.191 1.00 23.25 N ATOM 1262 CA ASN A 80 -7.693 -2.985 4.479 1.00 33.14 C ATOM 1263 C ASN A 80 -6.282 -2.777 3.939 1.00 64.51 C ATOM 1264 O ASN A 80 -5.323 -3.376 4.427 1.00 74.35 O ATOM 1265 CB ASN A 80 -8.647 -3.321 3.330 1.00 0.32 C ATOM 1266 CG ASN A 80 -10.040 -3.669 3.819 1.00 52.14 C ATOM 1267 OD1 ASN A 80 -10.225 -4.070 4.968 1.00 41.53 O ATOM 1268 ND2 ASN A 80 -11.028 -3.518 2.944 1.00 63.34 N ATOM 0 H ASN A 80 -9.081 -1.472 4.907 1.00 23.25 H new ATOM 0 HA ASN A 80 -7.674 -3.817 5.183 1.00 33.14 H new ATOM 0 HB2 ASN A 80 -8.705 -2.472 2.649 1.00 0.32 H new ATOM 0 HB3 ASN A 80 -8.245 -4.159 2.760 1.00 0.32 H new ATOM 0 HD21 ASN A 80 -11.987 -3.737 3.214 1.00 63.34 H new ATOM 0 HD22 ASN A 80 -10.828 -3.183 2.002 1.00 63.34 H new ATOM 1275 N THR A 81 -6.160 -1.922 2.928 1.00 74.03 N ATOM 1276 CA THR A 81 -4.867 -1.635 2.321 1.00 74.54 C ATOM 1277 C THR A 81 -3.836 -1.257 3.377 1.00 14.44 C ATOM 1278 O THR A 81 -2.790 -1.896 3.493 1.00 43.53 O ATOM 1279 CB THR A 81 -4.972 -0.495 1.290 1.00 63.13 C ATOM 1280 OG1 THR A 81 -5.852 -0.876 0.226 1.00 41.33 O ATOM 1281 CG2 THR A 81 -3.603 -0.150 0.723 1.00 23.24 C ATOM 0 H THR A 81 -6.942 -1.416 2.512 1.00 74.03 H new ATOM 0 HA THR A 81 -4.546 -2.545 1.814 1.00 74.54 H new ATOM 0 HB THR A 81 -5.371 0.385 1.794 1.00 63.13 H new ATOM 0 HG1 THR A 81 -5.915 -0.145 -0.424 1.00 41.33 H new ATOM 0 HG21 THR A 81 -3.703 0.657 -0.003 1.00 23.24 H new ATOM 0 HG22 THR A 81 -2.944 0.168 1.531 1.00 23.24 H new ATOM 0 HG23 THR A 81 -3.180 -1.027 0.234 1.00 23.24 H new ATOM 1289 N ILE A 82 -4.138 -0.215 4.146 1.00 23.42 N ATOM 1290 CA ILE A 82 -3.236 0.246 5.195 1.00 74.34 C ATOM 1291 C ILE A 82 -2.646 -0.928 5.968 1.00 71.01 C ATOM 1292 O ILE A 82 -1.437 -0.996 6.186 1.00 63.00 O ATOM 1293 CB ILE A 82 -3.954 1.186 6.180 1.00 40.31 C ATOM 1294 CG1 ILE A 82 -4.424 2.452 5.461 1.00 43.55 C ATOM 1295 CG2 ILE A 82 -3.034 1.541 7.339 1.00 34.21 C ATOM 1296 CD1 ILE A 82 -5.487 3.218 6.217 1.00 31.10 C ATOM 0 H ILE A 82 -4.999 0.325 4.062 1.00 23.42 H new ATOM 0 HA ILE A 82 -2.432 0.794 4.703 1.00 74.34 H new ATOM 0 HB ILE A 82 -4.828 0.671 6.579 1.00 40.31 H new ATOM 0 HG12 ILE A 82 -3.567 3.105 5.294 1.00 43.55 H new ATOM 0 HG13 ILE A 82 -4.813 2.180 4.480 1.00 43.55 H new ATOM 0 HG21 ILE A 82 -3.556 2.206 8.027 1.00 34.21 H new ATOM 0 HG22 ILE A 82 -2.743 0.631 7.864 1.00 34.21 H new ATOM 0 HG23 ILE A 82 -2.143 2.040 6.957 1.00 34.21 H new ATOM 0 HD11 ILE A 82 -5.772 4.103 5.648 1.00 31.10 H new ATOM 0 HD12 ILE A 82 -6.361 2.582 6.361 1.00 31.10 H new ATOM 0 HD13 ILE A 82 -5.095 3.522 7.188 1.00 31.10 H new ATOM 1308 N ALA A 83 -3.508 -1.853 6.378 1.00 12.45 N ATOM 1309 CA ALA A 83 -3.072 -3.026 7.124 1.00 23.42 C ATOM 1310 C ALA A 83 -2.006 -3.800 6.356 1.00 10.33 C ATOM 1311 O ALA A 83 -0.973 -4.172 6.913 1.00 61.04 O ATOM 1312 CB ALA A 83 -4.259 -3.927 7.433 1.00 34.03 C ATOM 0 H ALA A 83 -4.513 -1.812 6.206 1.00 12.45 H new ATOM 0 HA ALA A 83 -2.633 -2.686 8.062 1.00 23.42 H new ATOM 0 HB1 ALA A 83 -3.918 -4.799 7.991 1.00 34.03 H new ATOM 0 HB2 ALA A 83 -4.988 -3.377 8.029 1.00 34.03 H new ATOM 0 HB3 ALA A 83 -4.723 -4.251 6.501 1.00 34.03 H new ATOM 1318 N VAL A 84 -2.263 -4.039 5.074 1.00 11.00 N ATOM 1319 CA VAL A 84 -1.324 -4.768 4.229 1.00 20.20 C ATOM 1320 C VAL A 84 0.004 -4.028 4.117 1.00 51.22 C ATOM 1321 O VAL A 84 1.064 -4.585 4.402 1.00 52.20 O ATOM 1322 CB VAL A 84 -1.896 -4.992 2.817 1.00 14.33 C ATOM 1323 CG1 VAL A 84 -1.038 -5.979 2.042 1.00 24.43 C ATOM 1324 CG2 VAL A 84 -3.338 -5.473 2.897 1.00 25.01 C ATOM 0 H VAL A 84 -3.113 -3.739 4.598 1.00 11.00 H new ATOM 0 HA VAL A 84 -1.158 -5.736 4.703 1.00 20.20 H new ATOM 0 HB VAL A 84 -1.883 -4.041 2.284 1.00 14.33 H new ATOM 0 HG11 VAL A 84 -1.459 -6.124 1.047 1.00 24.43 H new ATOM 0 HG12 VAL A 84 -0.024 -5.589 1.954 1.00 24.43 H new ATOM 0 HG13 VAL A 84 -1.015 -6.933 2.569 1.00 24.43 H new ATOM 0 HG21 VAL A 84 -3.727 -5.626 1.890 1.00 25.01 H new ATOM 0 HG22 VAL A 84 -3.378 -6.412 3.448 1.00 25.01 H new ATOM 0 HG23 VAL A 84 -3.943 -4.725 3.410 1.00 25.01 H new ATOM 1334 N LEU A 85 -0.062 -2.769 3.698 1.00 41.21 N ATOM 1335 CA LEU A 85 1.135 -1.949 3.548 1.00 44.15 C ATOM 1336 C LEU A 85 2.081 -2.144 4.728 1.00 10.34 C ATOM 1337 O LEU A 85 3.299 -2.200 4.560 1.00 73.34 O ATOM 1338 CB LEU A 85 0.755 -0.473 3.422 1.00 42.11 C ATOM 1339 CG LEU A 85 1.918 0.520 3.386 1.00 3.05 C ATOM 1340 CD1 LEU A 85 2.908 0.143 2.296 1.00 64.03 C ATOM 1341 CD2 LEU A 85 1.404 1.936 3.177 1.00 53.22 C ATOM 0 H LEU A 85 -0.932 -2.294 3.456 1.00 41.21 H new ATOM 0 HA LEU A 85 1.648 -2.264 2.639 1.00 44.15 H new ATOM 0 HB2 LEU A 85 0.167 -0.346 2.513 1.00 42.11 H new ATOM 0 HB3 LEU A 85 0.107 -0.213 4.259 1.00 42.11 H new ATOM 0 HG LEU A 85 2.434 0.481 4.345 1.00 3.05 H new ATOM 0 HD11 LEU A 85 3.728 0.861 2.285 1.00 64.03 H new ATOM 0 HD12 LEU A 85 3.301 -0.855 2.491 1.00 64.03 H new ATOM 0 HD13 LEU A 85 2.405 0.152 1.329 1.00 64.03 H new ATOM 0 HD21 LEU A 85 2.245 2.629 3.154 1.00 53.22 H new ATOM 0 HD22 LEU A 85 0.863 1.991 2.232 1.00 53.22 H new ATOM 0 HD23 LEU A 85 0.735 2.205 3.995 1.00 53.22 H new ATOM 1353 N TYR A 86 1.512 -2.248 5.924 1.00 33.34 N ATOM 1354 CA TYR A 86 2.303 -2.437 7.134 1.00 3.20 C ATOM 1355 C TYR A 86 3.228 -3.642 6.997 1.00 22.34 C ATOM 1356 O TYR A 86 4.396 -3.590 7.387 1.00 54.15 O ATOM 1357 CB TYR A 86 1.386 -2.618 8.345 1.00 3.33 C ATOM 1358 CG TYR A 86 2.132 -2.863 9.637 1.00 22.15 C ATOM 1359 CD1 TYR A 86 2.616 -1.804 10.396 1.00 41.20 C ATOM 1360 CD2 TYR A 86 2.353 -4.154 10.101 1.00 74.14 C ATOM 1361 CE1 TYR A 86 3.298 -2.023 11.576 1.00 22.43 C ATOM 1362 CE2 TYR A 86 3.032 -4.383 11.281 1.00 2.05 C ATOM 1363 CZ TYR A 86 3.504 -3.315 12.015 1.00 12.10 C ATOM 1364 OH TYR A 86 4.182 -3.538 13.192 1.00 32.11 O ATOM 0 H TYR A 86 0.505 -2.205 6.081 1.00 33.34 H new ATOM 0 HA TYR A 86 2.915 -1.547 7.280 1.00 3.20 H new ATOM 0 HB2 TYR A 86 0.765 -1.729 8.456 1.00 3.33 H new ATOM 0 HB3 TYR A 86 0.713 -3.455 8.159 1.00 3.33 H new ATOM 0 HD1 TYR A 86 2.456 -0.791 10.056 1.00 41.20 H new ATOM 0 HD2 TYR A 86 1.987 -4.993 9.528 1.00 74.14 H new ATOM 0 HE1 TYR A 86 3.668 -1.188 12.152 1.00 22.43 H new ATOM 0 HE2 TYR A 86 3.193 -5.393 11.628 1.00 2.05 H new ATOM 0 HH TYR A 86 4.240 -4.502 13.358 1.00 32.11 H new ATOM 1374 N CYS A 87 2.697 -4.726 6.442 1.00 24.33 N ATOM 1375 CA CYS A 87 3.475 -5.946 6.254 1.00 72.21 C ATOM 1376 C CYS A 87 4.546 -5.749 5.186 1.00 34.34 C ATOM 1377 O CYS A 87 5.575 -6.425 5.191 1.00 0.34 O ATOM 1378 CB CYS A 87 2.556 -7.105 5.863 1.00 14.23 C ATOM 1379 SG CYS A 87 2.254 -7.242 4.086 1.00 23.14 S ATOM 0 H CYS A 87 1.733 -4.785 6.115 1.00 24.33 H new ATOM 0 HA CYS A 87 3.967 -6.183 7.197 1.00 72.21 H new ATOM 0 HB2 CYS A 87 2.994 -8.038 6.219 1.00 14.23 H new ATOM 0 HB3 CYS A 87 1.601 -6.986 6.375 1.00 14.23 H new ATOM 0 HG CYS A 87 1.657 -6.167 3.663 1.00 23.14 H new ATOM 1385 N VAL A 88 4.296 -4.820 4.269 1.00 50.21 N ATOM 1386 CA VAL A 88 5.239 -4.534 3.194 1.00 13.32 C ATOM 1387 C VAL A 88 6.517 -3.903 3.737 1.00 71.44 C ATOM 1388 O VAL A 88 7.594 -4.067 3.164 1.00 24.43 O ATOM 1389 CB VAL A 88 4.623 -3.592 2.143 1.00 55.24 C ATOM 1390 CG1 VAL A 88 5.633 -3.276 1.050 1.00 34.03 C ATOM 1391 CG2 VAL A 88 3.362 -4.207 1.553 1.00 11.40 C ATOM 0 H VAL A 88 3.449 -4.253 4.249 1.00 50.21 H new ATOM 0 HA VAL A 88 5.479 -5.487 2.722 1.00 13.32 H new ATOM 0 HB VAL A 88 4.351 -2.657 2.633 1.00 55.24 H new ATOM 0 HG11 VAL A 88 5.179 -2.609 0.317 1.00 34.03 H new ATOM 0 HG12 VAL A 88 6.505 -2.792 1.489 1.00 34.03 H new ATOM 0 HG13 VAL A 88 5.939 -4.200 0.559 1.00 34.03 H new ATOM 0 HG21 VAL A 88 2.939 -3.529 0.812 1.00 11.40 H new ATOM 0 HG22 VAL A 88 3.608 -5.156 1.077 1.00 11.40 H new ATOM 0 HG23 VAL A 88 2.634 -4.377 2.347 1.00 11.40 H new ATOM 1401 N HIS A 89 6.389 -3.183 4.847 1.00 43.33 N ATOM 1402 CA HIS A 89 7.535 -2.527 5.469 1.00 34.13 C ATOM 1403 C HIS A 89 8.097 -3.380 6.603 1.00 71.41 C ATOM 1404 O HIS A 89 9.308 -3.317 6.809 1.00 2.24 O ATOM 1405 CB HIS A 89 7.136 -1.150 6.001 1.00 72.21 C ATOM 1406 CG HIS A 89 6.744 -0.183 4.925 1.00 33.23 C ATOM 1407 ND1 HIS A 89 7.586 0.176 3.894 1.00 35.42 N ATOM 1408 CD2 HIS A 89 5.593 0.499 4.725 1.00 41.51 C ATOM 1409 CE1 HIS A 89 6.968 1.038 3.106 1.00 43.41 C ATOM 1410 NE2 HIS A 89 5.757 1.251 3.588 1.00 30.24 N ATOM 0 H HIS A 89 5.505 -3.039 5.334 1.00 43.33 H new ATOM 0 HA HIS A 89 8.308 -2.404 4.711 1.00 34.13 H new ATOM 0 HB2 HIS A 89 6.304 -1.265 6.696 1.00 72.21 H new ATOM 0 HB3 HIS A 89 7.969 -0.733 6.567 1.00 72.21 H new ATOM 0 HD2 HIS A 89 4.709 0.459 5.345 1.00 41.51 H new ATOM 0 HE1 HIS A 89 7.383 1.492 2.218 1.00 43.41 H new ATOM 0 HE2 HIS A 89 5.058 1.873 3.182 1.00 30.24 H new ATOM 1419 N GLN A 90 7.279 -4.147 7.317 1.00 41.24 N ATOM 1420 CA GLN A 90 7.771 -4.978 8.409 1.00 12.41 C ATOM 1421 C GLN A 90 8.131 -6.373 7.913 1.00 71.43 C ATOM 1422 O GLN A 90 8.666 -7.191 8.662 1.00 34.52 O ATOM 1423 CB GLN A 90 6.721 -5.073 9.517 1.00 35.33 C ATOM 1424 CG GLN A 90 7.282 -5.544 10.849 1.00 30.41 C ATOM 1425 CD GLN A 90 8.194 -4.518 11.494 1.00 63.33 C ATOM 1426 OE1 GLN A 90 9.341 -4.815 11.828 1.00 3.42 O ATOM 1427 NE2 GLN A 90 7.688 -3.304 11.670 1.00 24.31 N ATOM 0 H GLN A 90 6.273 -4.210 7.159 1.00 41.24 H new ATOM 0 HA GLN A 90 8.671 -4.512 8.809 1.00 12.41 H new ATOM 0 HB2 GLN A 90 6.259 -4.095 9.652 1.00 35.33 H new ATOM 0 HB3 GLN A 90 5.933 -5.757 9.202 1.00 35.33 H new ATOM 0 HG2 GLN A 90 6.458 -5.769 11.527 1.00 30.41 H new ATOM 0 HG3 GLN A 90 7.834 -6.472 10.699 1.00 30.41 H new ATOM 0 HE21 GLN A 90 6.732 -3.103 11.378 1.00 24.31 H new ATOM 0 HE22 GLN A 90 8.255 -2.572 12.098 1.00 24.31 H new ATOM 1436 N ARG A 91 7.834 -6.640 6.645 1.00 61.44 N ATOM 1437 CA ARG A 91 8.126 -7.938 6.048 1.00 44.20 C ATOM 1438 C ARG A 91 7.330 -9.044 6.735 1.00 13.40 C ATOM 1439 O ARG A 91 7.886 -10.066 7.137 1.00 53.14 O ATOM 1440 CB ARG A 91 9.623 -8.241 6.140 1.00 34.03 C ATOM 1441 CG ARG A 91 10.130 -9.147 5.031 1.00 31.11 C ATOM 1442 CD ARG A 91 11.646 -9.266 5.059 1.00 63.32 C ATOM 1443 NE ARG A 91 12.099 -10.589 4.635 1.00 12.14 N ATOM 1444 CZ ARG A 91 12.210 -10.955 3.364 1.00 32.35 C ATOM 1445 NH1 ARG A 91 11.903 -10.104 2.395 1.00 3.33 N ATOM 1446 NH2 ARG A 91 12.630 -12.177 3.059 1.00 14.12 N ATOM 0 H ARG A 91 7.391 -5.975 6.011 1.00 61.44 H new ATOM 0 HA ARG A 91 7.833 -7.901 4.999 1.00 44.20 H new ATOM 0 HB2 ARG A 91 10.177 -7.303 6.113 1.00 34.03 H new ATOM 0 HB3 ARG A 91 9.832 -8.707 7.103 1.00 34.03 H new ATOM 0 HG2 ARG A 91 9.684 -10.136 5.135 1.00 31.11 H new ATOM 0 HG3 ARG A 91 9.812 -8.754 4.065 1.00 31.11 H new ATOM 0 HD2 ARG A 91 12.081 -8.508 4.408 1.00 63.32 H new ATOM 0 HD3 ARG A 91 12.007 -9.065 6.068 1.00 63.32 H new ATOM 0 HE ARG A 91 12.343 -11.269 5.355 1.00 12.14 H new ATOM 0 HH11 ARG A 91 11.580 -9.164 2.625 1.00 3.33 H new ATOM 0 HH12 ARG A 91 11.990 -10.389 1.419 1.00 3.33 H new ATOM 0 HH21 ARG A 91 12.867 -12.835 3.802 1.00 14.12 H new ATOM 0 HH22 ARG A 91 12.715 -12.458 2.082 1.00 14.12 H new ATOM 1460 N ILE A 92 6.024 -8.830 6.867 1.00 23.32 N ATOM 1461 CA ILE A 92 5.152 -9.808 7.505 1.00 20.20 C ATOM 1462 C ILE A 92 4.381 -10.617 6.467 1.00 0.50 C ATOM 1463 O ILE A 92 3.612 -10.063 5.680 1.00 61.11 O ATOM 1464 CB ILE A 92 4.150 -9.132 8.459 1.00 25.00 C ATOM 1465 CG1 ILE A 92 4.895 -8.393 9.574 1.00 74.24 C ATOM 1466 CG2 ILE A 92 3.197 -10.162 9.044 1.00 32.35 C ATOM 1467 CD1 ILE A 92 3.990 -7.560 10.454 1.00 1.34 C ATOM 0 H ILE A 92 5.548 -7.989 6.541 1.00 23.32 H new ATOM 0 HA ILE A 92 5.794 -10.476 8.079 1.00 20.20 H new ATOM 0 HB ILE A 92 3.565 -8.406 7.894 1.00 25.00 H new ATOM 0 HG12 ILE A 92 5.421 -9.120 10.192 1.00 74.24 H new ATOM 0 HG13 ILE A 92 5.651 -7.747 9.129 1.00 74.24 H new ATOM 0 HG21 ILE A 92 2.495 -9.668 9.716 1.00 32.35 H new ATOM 0 HG22 ILE A 92 2.647 -10.648 8.238 1.00 32.35 H new ATOM 0 HG23 ILE A 92 3.765 -10.910 9.598 1.00 32.35 H new ATOM 0 HD11 ILE A 92 4.584 -7.065 11.222 1.00 1.34 H new ATOM 0 HD12 ILE A 92 3.483 -6.810 9.847 1.00 1.34 H new ATOM 0 HD13 ILE A 92 3.250 -8.204 10.928 1.00 1.34 H new ATOM 1479 N ASP A 93 4.590 -11.928 6.472 1.00 23.21 N ATOM 1480 CA ASP A 93 3.912 -12.814 5.532 1.00 21.11 C ATOM 1481 C ASP A 93 2.413 -12.536 5.508 1.00 54.24 C ATOM 1482 O ASP A 93 1.816 -12.200 6.531 1.00 64.13 O ATOM 1483 CB ASP A 93 4.166 -14.276 5.903 1.00 64.25 C ATOM 1484 CG ASP A 93 3.475 -15.242 4.960 1.00 14.30 C ATOM 1485 OD1 ASP A 93 3.604 -15.065 3.731 1.00 51.24 O ATOM 1486 OD2 ASP A 93 2.805 -16.174 5.452 1.00 41.40 O ATOM 0 H ASP A 93 5.223 -12.402 7.116 1.00 23.21 H new ATOM 0 HA ASP A 93 4.314 -12.624 4.537 1.00 21.11 H new ATOM 0 HB2 ASP A 93 5.239 -14.469 5.894 1.00 64.25 H new ATOM 0 HB3 ASP A 93 3.819 -14.455 6.921 1.00 64.25 H new ATOM 1491 N VAL A 94 1.809 -12.678 4.332 1.00 10.15 N ATOM 1492 CA VAL A 94 0.378 -12.442 4.174 1.00 24.20 C ATOM 1493 C VAL A 94 -0.176 -13.207 2.978 1.00 22.32 C ATOM 1494 O VAL A 94 0.139 -12.898 1.828 1.00 25.13 O ATOM 1495 CB VAL A 94 0.073 -10.942 3.996 1.00 24.23 C ATOM 1496 CG1 VAL A 94 0.347 -10.185 5.286 1.00 33.45 C ATOM 1497 CG2 VAL A 94 0.887 -10.366 2.847 1.00 24.23 C ATOM 0 H VAL A 94 2.288 -12.955 3.475 1.00 10.15 H new ATOM 0 HA VAL A 94 -0.104 -12.798 5.084 1.00 24.20 H new ATOM 0 HB VAL A 94 -0.984 -10.830 3.755 1.00 24.23 H new ATOM 0 HG11 VAL A 94 0.126 -9.127 5.141 1.00 33.45 H new ATOM 0 HG12 VAL A 94 -0.283 -10.582 6.082 1.00 33.45 H new ATOM 0 HG13 VAL A 94 1.395 -10.302 5.561 1.00 33.45 H new ATOM 0 HG21 VAL A 94 0.659 -9.306 2.735 1.00 24.23 H new ATOM 0 HG22 VAL A 94 1.950 -10.489 3.056 1.00 24.23 H new ATOM 0 HG23 VAL A 94 0.636 -10.890 1.925 1.00 24.23 H new ATOM 1507 N LYS A 95 -1.005 -14.208 3.256 1.00 64.22 N ATOM 1508 CA LYS A 95 -1.605 -15.018 2.203 1.00 35.41 C ATOM 1509 C LYS A 95 -2.729 -14.258 1.506 1.00 2.31 C ATOM 1510 O LYS A 95 -3.109 -14.586 0.381 1.00 20.43 O ATOM 1511 CB LYS A 95 -2.146 -16.327 2.785 1.00 50.11 C ATOM 1512 CG LYS A 95 -2.147 -17.478 1.794 1.00 33.43 C ATOM 1513 CD LYS A 95 -3.169 -18.538 2.171 1.00 50.00 C ATOM 1514 CE LYS A 95 -2.677 -19.935 1.827 1.00 2.44 C ATOM 1515 NZ LYS A 95 -2.979 -20.912 2.910 1.00 72.53 N ATOM 0 H LYS A 95 -1.276 -14.477 4.202 1.00 64.22 H new ATOM 0 HA LYS A 95 -0.833 -15.245 1.468 1.00 35.41 H new ATOM 0 HB2 LYS A 95 -1.546 -16.605 3.652 1.00 50.11 H new ATOM 0 HB3 LYS A 95 -3.163 -16.164 3.141 1.00 50.11 H new ATOM 0 HG2 LYS A 95 -2.366 -17.099 0.796 1.00 33.43 H new ATOM 0 HG3 LYS A 95 -1.154 -17.926 1.755 1.00 33.43 H new ATOM 0 HD2 LYS A 95 -3.380 -18.478 3.239 1.00 50.00 H new ATOM 0 HD3 LYS A 95 -4.106 -18.343 1.650 1.00 50.00 H new ATOM 0 HE2 LYS A 95 -3.143 -20.266 0.899 1.00 2.44 H new ATOM 0 HE3 LYS A 95 -1.602 -19.908 1.652 1.00 2.44 H new ATOM 0 HZ1 LYS A 95 -2.628 -21.852 2.637 1.00 72.53 H new ATOM 0 HZ2 LYS A 95 -2.513 -20.610 3.790 1.00 72.53 H new ATOM 0 HZ3 LYS A 95 -4.007 -20.957 3.060 1.00 72.53 H new ATOM 1529 N ASP A 96 -3.255 -13.241 2.178 1.00 0.24 N ATOM 1530 CA ASP A 96 -4.333 -12.432 1.622 1.00 32.01 C ATOM 1531 C ASP A 96 -4.646 -11.245 2.528 1.00 65.11 C ATOM 1532 O ASP A 96 -4.032 -11.076 3.582 1.00 10.21 O ATOM 1533 CB ASP A 96 -5.588 -13.282 1.424 1.00 33.50 C ATOM 1534 CG ASP A 96 -5.786 -14.292 2.538 1.00 44.02 C ATOM 1535 OD1 ASP A 96 -6.396 -13.930 3.566 1.00 62.34 O ATOM 1536 OD2 ASP A 96 -5.329 -15.444 2.381 1.00 14.43 O ATOM 0 H ASP A 96 -2.952 -12.957 3.110 1.00 0.24 H new ATOM 0 HA ASP A 96 -4.005 -12.051 0.655 1.00 32.01 H new ATOM 0 HB2 ASP A 96 -6.460 -12.630 1.370 1.00 33.50 H new ATOM 0 HB3 ASP A 96 -5.522 -13.806 0.470 1.00 33.50 H new ATOM 1541 N THR A 97 -5.605 -10.425 2.111 1.00 44.21 N ATOM 1542 CA THR A 97 -5.998 -9.253 2.882 1.00 21.25 C ATOM 1543 C THR A 97 -6.406 -9.639 4.300 1.00 61.25 C ATOM 1544 O THR A 97 -6.315 -8.833 5.226 1.00 63.44 O ATOM 1545 CB THR A 97 -7.164 -8.503 2.212 1.00 14.21 C ATOM 1546 OG1 THR A 97 -6.739 -7.957 0.958 1.00 72.23 O ATOM 1547 CG2 THR A 97 -7.677 -7.387 3.109 1.00 50.03 C ATOM 0 H THR A 97 -6.124 -10.551 1.242 1.00 44.21 H new ATOM 0 HA THR A 97 -5.129 -8.596 2.922 1.00 21.25 H new ATOM 0 HB THR A 97 -7.974 -9.213 2.043 1.00 14.21 H new ATOM 0 HG1 THR A 97 -7.486 -7.483 0.538 1.00 72.23 H new ATOM 0 HG21 THR A 97 -8.500 -6.872 2.614 1.00 50.03 H new ATOM 0 HG22 THR A 97 -8.027 -7.809 4.051 1.00 50.03 H new ATOM 0 HG23 THR A 97 -6.872 -6.679 3.306 1.00 50.03 H new ATOM 1555 N LYS A 98 -6.855 -10.880 4.463 1.00 11.33 N ATOM 1556 CA LYS A 98 -7.275 -11.375 5.768 1.00 30.35 C ATOM 1557 C LYS A 98 -6.075 -11.848 6.583 1.00 15.24 C ATOM 1558 O LYS A 98 -5.893 -11.440 7.729 1.00 13.24 O ATOM 1559 CB LYS A 98 -8.276 -12.521 5.604 1.00 40.24 C ATOM 1560 CG LYS A 98 -9.113 -12.781 6.844 1.00 12.13 C ATOM 1561 CD LYS A 98 -10.286 -11.819 6.938 1.00 61.20 C ATOM 1562 CE LYS A 98 -10.728 -11.617 8.379 1.00 4.44 C ATOM 1563 NZ LYS A 98 -11.036 -12.909 9.051 1.00 21.11 N ATOM 0 H LYS A 98 -6.937 -11.560 3.707 1.00 11.33 H new ATOM 0 HA LYS A 98 -7.755 -10.555 6.302 1.00 30.35 H new ATOM 0 HB2 LYS A 98 -8.939 -12.296 4.769 1.00 40.24 H new ATOM 0 HB3 LYS A 98 -7.734 -13.431 5.344 1.00 40.24 H new ATOM 0 HG2 LYS A 98 -9.483 -13.806 6.826 1.00 12.13 H new ATOM 0 HG3 LYS A 98 -8.489 -12.683 7.732 1.00 12.13 H new ATOM 0 HD2 LYS A 98 -10.006 -10.859 6.504 1.00 61.20 H new ATOM 0 HD3 LYS A 98 -11.120 -12.203 6.351 1.00 61.20 H new ATOM 0 HE2 LYS A 98 -9.943 -11.099 8.930 1.00 4.44 H new ATOM 0 HE3 LYS A 98 -11.610 -10.976 8.402 1.00 4.44 H new ATOM 0 HZ1 LYS A 98 -11.492 -12.724 9.967 1.00 21.11 H new ATOM 0 HZ2 LYS A 98 -11.677 -13.468 8.452 1.00 21.11 H new ATOM 0 HZ3 LYS A 98 -10.155 -13.439 9.204 1.00 21.11 H new ATOM 1577 N GLU A 99 -5.260 -12.709 5.983 1.00 3.11 N ATOM 1578 CA GLU A 99 -4.077 -13.236 6.654 1.00 15.34 C ATOM 1579 C GLU A 99 -3.259 -12.109 7.278 1.00 22.11 C ATOM 1580 O GLU A 99 -2.662 -12.276 8.341 1.00 62.31 O ATOM 1581 CB GLU A 99 -3.212 -14.023 5.668 1.00 71.34 C ATOM 1582 CG GLU A 99 -3.170 -15.515 5.953 1.00 13.03 C ATOM 1583 CD GLU A 99 -2.845 -15.823 7.401 1.00 22.14 C ATOM 1584 OE1 GLU A 99 -2.015 -15.100 7.991 1.00 63.23 O ATOM 1585 OE2 GLU A 99 -3.421 -16.788 7.947 1.00 63.24 O ATOM 0 H GLU A 99 -5.397 -13.057 5.034 1.00 3.11 H new ATOM 0 HA GLU A 99 -4.409 -13.904 7.448 1.00 15.34 H new ATOM 0 HB2 GLU A 99 -3.591 -13.865 4.658 1.00 71.34 H new ATOM 0 HB3 GLU A 99 -2.196 -13.628 5.693 1.00 71.34 H new ATOM 0 HG2 GLU A 99 -4.133 -15.957 5.699 1.00 13.03 H new ATOM 0 HG3 GLU A 99 -2.425 -15.983 5.310 1.00 13.03 H new ATOM 1592 N ALA A 100 -3.236 -10.961 6.608 1.00 12.01 N ATOM 1593 CA ALA A 100 -2.493 -9.807 7.096 1.00 45.50 C ATOM 1594 C ALA A 100 -2.999 -9.367 8.466 1.00 61.04 C ATOM 1595 O ALA A 100 -2.222 -9.231 9.411 1.00 11.42 O ATOM 1596 CB ALA A 100 -2.588 -8.658 6.102 1.00 21.23 C ATOM 0 H ALA A 100 -3.724 -10.806 5.726 1.00 12.01 H new ATOM 0 HA ALA A 100 -1.448 -10.097 7.200 1.00 45.50 H new ATOM 0 HB1 ALA A 100 -2.028 -7.803 6.480 1.00 21.23 H new ATOM 0 HB2 ALA A 100 -2.171 -8.970 5.144 1.00 21.23 H new ATOM 0 HB3 ALA A 100 -3.633 -8.378 5.969 1.00 21.23 H new ATOM 1602 N LEU A 101 -4.305 -9.145 8.565 1.00 40.11 N ATOM 1603 CA LEU A 101 -4.916 -8.720 9.820 1.00 45.00 C ATOM 1604 C LEU A 101 -4.526 -9.656 10.959 1.00 50.51 C ATOM 1605 O LEU A 101 -3.991 -9.221 11.978 1.00 11.32 O ATOM 1606 CB LEU A 101 -6.437 -8.674 9.679 1.00 53.21 C ATOM 1607 CG LEU A 101 -7.061 -7.280 9.586 1.00 43.10 C ATOM 1608 CD1 LEU A 101 -6.684 -6.444 10.800 1.00 72.14 C ATOM 1609 CD2 LEU A 101 -6.627 -6.587 8.303 1.00 52.51 C ATOM 0 H LEU A 101 -4.961 -9.252 7.792 1.00 40.11 H new ATOM 0 HA LEU A 101 -4.550 -7.721 10.055 1.00 45.00 H new ATOM 0 HB2 LEU A 101 -6.716 -9.235 8.787 1.00 53.21 H new ATOM 0 HB3 LEU A 101 -6.877 -9.191 10.532 1.00 53.21 H new ATOM 0 HG LEU A 101 -8.145 -7.388 9.568 1.00 43.10 H new ATOM 0 HD11 LEU A 101 -7.137 -5.456 10.716 1.00 72.14 H new ATOM 0 HD12 LEU A 101 -7.045 -6.933 11.705 1.00 72.14 H new ATOM 0 HD13 LEU A 101 -5.600 -6.343 10.850 1.00 72.14 H new ATOM 0 HD21 LEU A 101 -7.080 -5.597 8.253 1.00 52.51 H new ATOM 0 HD22 LEU A 101 -5.541 -6.490 8.291 1.00 52.51 H new ATOM 0 HD23 LEU A 101 -6.948 -7.177 7.444 1.00 52.51 H new ATOM 1621 N ASP A 102 -4.798 -10.944 10.779 1.00 41.10 N ATOM 1622 CA ASP A 102 -4.474 -11.943 11.790 1.00 20.13 C ATOM 1623 C ASP A 102 -2.967 -12.012 12.022 1.00 13.15 C ATOM 1624 O ASP A 102 -2.498 -12.719 12.914 1.00 22.40 O ATOM 1625 CB ASP A 102 -5.001 -13.315 11.369 1.00 33.25 C ATOM 1626 CG ASP A 102 -4.857 -14.352 12.466 1.00 22.15 C ATOM 1627 OD1 ASP A 102 -5.289 -14.075 13.605 1.00 54.42 O ATOM 1628 OD2 ASP A 102 -4.312 -15.440 12.187 1.00 31.22 O ATOM 0 H ASP A 102 -5.242 -11.321 9.942 1.00 41.10 H new ATOM 0 HA ASP A 102 -4.954 -11.649 12.723 1.00 20.13 H new ATOM 0 HB2 ASP A 102 -6.051 -13.228 11.091 1.00 33.25 H new ATOM 0 HB3 ASP A 102 -4.463 -13.651 10.482 1.00 33.25 H new ATOM 1633 N LYS A 103 -2.215 -11.274 11.214 1.00 45.41 N ATOM 1634 CA LYS A 103 -0.762 -11.250 11.330 1.00 23.32 C ATOM 1635 C LYS A 103 -0.304 -10.081 12.196 1.00 70.40 C ATOM 1636 O LYS A 103 0.451 -10.263 13.152 1.00 31.11 O ATOM 1637 CB LYS A 103 -0.121 -11.153 9.944 1.00 25.23 C ATOM 1638 CG LYS A 103 0.821 -12.303 9.627 1.00 34.44 C ATOM 1639 CD LYS A 103 0.057 -13.579 9.315 1.00 33.34 C ATOM 1640 CE LYS A 103 0.560 -14.749 10.146 1.00 25.14 C ATOM 1641 NZ LYS A 103 0.092 -16.055 9.607 1.00 31.45 N ATOM 0 H LYS A 103 -2.588 -10.684 10.471 1.00 45.41 H new ATOM 0 HA LYS A 103 -0.445 -12.178 11.806 1.00 23.32 H new ATOM 0 HB2 LYS A 103 -0.908 -11.121 9.190 1.00 25.23 H new ATOM 0 HB3 LYS A 103 0.428 -10.214 9.872 1.00 25.23 H new ATOM 0 HG2 LYS A 103 1.449 -12.037 8.777 1.00 34.44 H new ATOM 0 HG3 LYS A 103 1.486 -12.474 10.473 1.00 34.44 H new ATOM 0 HD2 LYS A 103 -1.005 -13.425 9.508 1.00 33.34 H new ATOM 0 HD3 LYS A 103 0.158 -13.814 8.255 1.00 33.34 H new ATOM 0 HE2 LYS A 103 1.650 -14.736 10.169 1.00 25.14 H new ATOM 0 HE3 LYS A 103 0.218 -14.637 11.175 1.00 25.14 H new ATOM 0 HZ1 LYS A 103 -0.217 -16.664 10.392 1.00 31.45 H new ATOM 0 HZ2 LYS A 103 -0.704 -15.897 8.957 1.00 31.45 H new ATOM 0 HZ3 LYS A 103 0.870 -16.518 9.095 1.00 31.45 H new