USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 26 TYR OH : rot 25:sc= 0.21 USER MOD Set 2.2: A 49 SER OG : rot 95:sc= 1.49 USER MOD Set 3.1: A 14 SER OG : rot -126:sc= 1.2 USER MOD Set 3.2: A 16 SER OG : rot 180:sc= 1.05 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 130:sc= 0.38! USER MOD Single : A 3 LYS NZ :NH3+ 173:sc= 1.22 (180deg=1.15) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -4:sc= 0.715 USER MOD Single : A 18 ASN : amide:sc= -0.333! C(o=-0.33!,f=-10!) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -178:sc= 1.18 (180deg=1.12) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0.555 K(o=0.55,f=-7.4!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 169:sc= 1.26 (180deg=1.15) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.051 X(o=-0.051,f=-0.11) USER MOD Single : A 60 LYS NZ :NH3+ -179:sc= 1.01 (180deg=1.01) USER MOD Single : A 64 TYR OH : rot -19:sc= 0.321 USER MOD Single : A 66 GLN : amide:sc= 0.241 K(o=0.24,f=-0.42) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -19:sc= 0.739 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0753 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -5.878 -15.420 -8.590 1.00 0.00 N ATOM 2 CA SER A 1 -5.509 -15.077 -7.221 1.00 0.00 C ATOM 3 C SER A 1 -5.015 -13.639 -7.128 1.00 0.00 C ATOM 4 O SER A 1 -5.808 -12.711 -6.964 1.00 0.00 O ATOM 5 CB SER A 1 -4.435 -16.023 -6.719 1.00 0.00 C ATOM 6 OG SER A 1 -3.248 -15.868 -7.447 1.00 0.00 O ATOM 0 H1 SER A 1 -6.211 -16.405 -8.624 1.00 0.00 H new ATOM 0 H2 SER A 1 -6.637 -14.787 -8.914 1.00 0.00 H new ATOM 0 H3 SER A 1 -5.050 -15.313 -9.210 1.00 0.00 H new ATOM 0 HA SER A 1 -6.398 -15.174 -6.598 1.00 0.00 H new ATOM 0 HB2 SER A 1 -4.245 -15.835 -5.662 1.00 0.00 H new ATOM 0 HB3 SER A 1 -4.785 -17.052 -6.802 1.00 0.00 H new ATOM 0 HG SER A 1 -2.496 -15.761 -6.828 1.00 0.00 H new ATOM 11 N VAL A 2 -3.703 -13.461 -7.234 1.00 0.00 N ATOM 12 CA VAL A 2 -3.100 -12.137 -7.139 1.00 0.00 C ATOM 13 C VAL A 2 -2.514 -11.701 -8.475 1.00 0.00 C ATOM 14 O VAL A 2 -1.414 -12.112 -8.846 1.00 0.00 O ATOM 15 CB VAL A 2 -1.991 -12.130 -6.070 1.00 0.00 C ATOM 16 CG1 VAL A 2 -1.383 -10.741 -5.942 1.00 0.00 C ATOM 17 CG2 VAL A 2 -2.556 -12.597 -4.737 1.00 0.00 C ATOM 0 H VAL A 2 -3.036 -14.218 -7.386 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.885 -11.436 -6.857 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.201 -12.817 -6.374 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.601 -10.755 -5.182 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.954 -10.442 -6.898 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.157 -10.030 -5.653 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.767 -12.590 -3.985 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.358 -11.927 -4.427 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -2.948 -13.609 -4.842 1.00 0.00 H new ATOM 27 N LYS A 3 -3.255 -10.867 -9.198 1.00 0.00 N ATOM 28 CA LYS A 3 -2.847 -10.434 -10.529 1.00 0.00 C ATOM 29 C LYS A 3 -1.619 -9.534 -10.462 1.00 0.00 C ATOM 30 O LYS A 3 -0.565 -9.866 -11.003 1.00 0.00 O ATOM 31 CB LYS A 3 -3.994 -9.709 -11.232 1.00 0.00 C ATOM 32 CG LYS A 3 -3.674 -9.248 -12.647 1.00 0.00 C ATOM 33 CD LYS A 3 -4.882 -8.595 -13.303 1.00 0.00 C ATOM 34 CE LYS A 3 -4.554 -8.109 -14.707 1.00 0.00 C ATOM 35 NZ LYS A 3 -5.732 -7.484 -15.369 1.00 0.00 N ATOM 0 H LYS A 3 -4.143 -10.477 -8.883 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.587 -11.323 -11.104 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.859 -10.371 -11.266 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.279 -8.842 -10.636 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.845 -8.541 -12.623 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.349 -10.100 -13.245 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.705 -9.308 -13.346 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.219 -7.756 -12.695 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.739 -7.387 -14.660 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.202 -8.947 -15.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.439 -7.061 -16.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.457 -8.209 -15.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.125 -6.744 -14.752 1.00 0.00 H new ATOM 49 N GLU A 4 -1.765 -8.393 -9.797 1.00 0.00 N ATOM 50 CA GLU A 4 -0.671 -7.438 -9.666 1.00 0.00 C ATOM 51 C GLU A 4 -0.137 -7.405 -8.241 1.00 0.00 C ATOM 52 O GLU A 4 -0.889 -7.566 -7.280 1.00 0.00 O ATOM 53 CB GLU A 4 -1.133 -6.039 -10.079 1.00 0.00 C ATOM 54 CG GLU A 4 -1.506 -5.909 -11.550 1.00 0.00 C ATOM 55 CD GLU A 4 -1.922 -4.513 -11.926 1.00 0.00 C ATOM 56 OE1 GLU A 4 -2.001 -3.681 -11.055 1.00 0.00 O ATOM 57 OE2 GLU A 4 -2.160 -4.280 -13.088 1.00 0.00 O ATOM 0 H GLU A 4 -2.631 -8.107 -9.340 1.00 0.00 H new ATOM 0 HA GLU A 4 0.133 -7.760 -10.327 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.994 -5.760 -9.472 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.340 -5.326 -9.853 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.656 -6.207 -12.163 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.319 -6.599 -11.776 1.00 0.00 H new ATOM 64 N THR A 5 1.170 -7.196 -8.108 1.00 0.00 N ATOM 65 CA THR A 5 1.817 -7.195 -6.802 1.00 0.00 C ATOM 66 C THR A 5 2.462 -5.847 -6.507 1.00 0.00 C ATOM 67 O THR A 5 3.168 -5.689 -5.511 1.00 0.00 O ATOM 68 CB THR A 5 2.879 -8.306 -6.709 1.00 0.00 C ATOM 69 OG1 THR A 5 3.875 -8.106 -7.720 1.00 0.00 O ATOM 70 CG2 THR A 5 2.238 -9.673 -6.899 1.00 0.00 C ATOM 0 H THR A 5 1.801 -7.025 -8.891 1.00 0.00 H new ATOM 0 HA THR A 5 1.042 -7.383 -6.059 1.00 0.00 H new ATOM 0 HB THR A 5 3.340 -8.265 -5.722 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.551 -8.813 -7.658 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.003 -10.446 -6.830 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.488 -9.834 -6.124 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.763 -9.719 -7.879 1.00 0.00 H new ATOM 78 N LYS A 6 2.215 -4.876 -7.381 1.00 0.00 N ATOM 79 CA LYS A 6 2.870 -3.577 -7.285 1.00 0.00 C ATOM 80 C LYS A 6 2.623 -2.933 -5.927 1.00 0.00 C ATOM 81 O LYS A 6 3.564 -2.534 -5.239 1.00 0.00 O ATOM 82 CB LYS A 6 2.386 -2.650 -8.402 1.00 0.00 C ATOM 83 CG LYS A 6 3.024 -1.267 -8.394 1.00 0.00 C ATOM 84 CD LYS A 6 2.567 -0.441 -9.587 1.00 0.00 C ATOM 85 CE LYS A 6 3.162 0.959 -9.551 1.00 0.00 C ATOM 86 NZ LYS A 6 2.754 1.768 -10.732 1.00 0.00 N ATOM 0 H LYS A 6 1.566 -4.965 -8.163 1.00 0.00 H new ATOM 0 HA LYS A 6 3.943 -3.736 -7.396 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.587 -3.124 -9.363 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.305 -2.538 -8.322 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.765 -0.750 -7.470 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.109 -1.365 -8.411 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.860 -0.939 -10.511 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.479 -0.376 -9.592 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.846 1.464 -8.638 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.249 0.890 -9.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.181 2.714 -10.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.078 1.300 -11.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.718 1.856 -10.751 1.00 0.00 H new ATOM 100 N LEU A 7 1.355 -2.835 -5.547 1.00 0.00 N ATOM 101 CA LEU A 7 0.976 -2.150 -4.317 1.00 0.00 C ATOM 102 C LEU A 7 1.509 -2.881 -3.091 1.00 0.00 C ATOM 103 O LEU A 7 1.862 -2.260 -2.091 1.00 0.00 O ATOM 104 CB LEU A 7 -0.551 -2.031 -4.225 1.00 0.00 C ATOM 105 CG LEU A 7 -1.218 -1.171 -5.307 1.00 0.00 C ATOM 106 CD1 LEU A 7 -2.727 -1.186 -5.108 1.00 0.00 C ATOM 107 CD2 LEU A 7 -0.671 0.246 -5.237 1.00 0.00 C ATOM 0 H LEU A 7 0.571 -3.221 -6.073 1.00 0.00 H new ATOM 0 HA LEU A 7 1.417 -1.153 -4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.978 -3.033 -4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.807 -1.618 -3.249 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.997 -1.576 -6.295 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.201 -0.575 -5.876 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.093 -2.210 -5.181 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.968 -0.783 -4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.144 0.857 -6.005 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.882 0.670 -4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.407 0.229 -5.400 1.00 0.00 H new ATOM 119 N TYR A 8 1.564 -4.206 -3.177 1.00 0.00 N ATOM 120 CA TYR A 8 2.081 -5.024 -2.087 1.00 0.00 C ATOM 121 C TYR A 8 3.585 -4.841 -1.927 1.00 0.00 C ATOM 122 O TYR A 8 4.106 -4.855 -0.812 1.00 0.00 O ATOM 123 CB TYR A 8 1.747 -6.499 -2.318 1.00 0.00 C ATOM 124 CG TYR A 8 0.264 -6.800 -2.301 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.375 -7.210 -3.461 1.00 0.00 C ATOM 126 CD2 TYR A 8 -0.456 -6.664 -1.123 1.00 0.00 C ATOM 127 CE1 TYR A 8 -1.728 -7.485 -3.444 1.00 0.00 C ATOM 128 CE2 TYR A 8 -1.810 -6.937 -1.107 1.00 0.00 C ATOM 129 CZ TYR A 8 -2.445 -7.347 -2.260 1.00 0.00 C ATOM 130 OH TYR A 8 -3.794 -7.620 -2.244 1.00 0.00 O ATOM 0 H TYR A 8 1.256 -4.737 -3.992 1.00 0.00 H new ATOM 0 HA TYR A 8 1.600 -4.696 -1.166 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.160 -6.809 -3.278 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.238 -7.098 -1.551 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.186 -7.314 -4.378 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.042 -6.345 -0.219 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.228 -7.806 -4.346 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.372 -6.829 -0.191 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.096 -7.832 -3.152 1.00 0.00 H new ATOM 140 N ASP A 9 4.277 -4.672 -3.048 1.00 0.00 N ATOM 141 CA ASP A 9 5.714 -4.421 -3.031 1.00 0.00 C ATOM 142 C ASP A 9 6.021 -3.018 -2.524 1.00 0.00 C ATOM 143 O ASP A 9 7.022 -2.799 -1.842 1.00 0.00 O ATOM 144 CB ASP A 9 6.309 -4.608 -4.429 1.00 0.00 C ATOM 145 CG ASP A 9 6.348 -6.066 -4.866 1.00 0.00 C ATOM 146 OD1 ASP A 9 6.228 -6.923 -4.022 1.00 0.00 O ATOM 147 OD2 ASP A 9 6.497 -6.310 -6.040 1.00 0.00 O ATOM 0 H ASP A 9 3.866 -4.704 -3.981 1.00 0.00 H new ATOM 0 HA ASP A 9 6.168 -5.142 -2.351 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.723 -4.034 -5.147 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.320 -4.202 -4.445 1.00 0.00 H new ATOM 152 N LEU A 10 5.155 -2.068 -2.865 1.00 0.00 N ATOM 153 CA LEU A 10 5.306 -0.694 -2.404 1.00 0.00 C ATOM 154 C LEU A 10 5.193 -0.606 -0.887 1.00 0.00 C ATOM 155 O LEU A 10 5.916 0.155 -0.244 1.00 0.00 O ATOM 156 CB LEU A 10 4.245 0.202 -3.055 1.00 0.00 C ATOM 157 CG LEU A 10 4.440 0.488 -4.549 1.00 0.00 C ATOM 158 CD1 LEU A 10 3.219 1.219 -5.090 1.00 0.00 C ATOM 159 CD2 LEU A 10 5.705 1.310 -4.747 1.00 0.00 C ATOM 0 H LEU A 10 4.341 -2.226 -3.459 1.00 0.00 H new ATOM 0 HA LEU A 10 6.299 -0.350 -2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.269 -0.264 -2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.222 1.153 -2.522 1.00 0.00 H new ATOM 0 HG LEU A 10 4.550 -0.448 -5.097 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.358 1.422 -6.152 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.333 0.599 -4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.091 2.160 -4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.844 1.514 -5.809 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.615 2.252 -4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.563 0.754 -4.369 1.00 0.00 H new ATOM 171 N LEU A 11 4.281 -1.390 -0.321 1.00 0.00 N ATOM 172 CA LEU A 11 4.103 -1.435 1.126 1.00 0.00 C ATOM 173 C LEU A 11 5.099 -2.389 1.773 1.00 0.00 C ATOM 174 O LEU A 11 5.483 -2.210 2.928 1.00 0.00 O ATOM 175 CB LEU A 11 2.673 -1.870 1.470 1.00 0.00 C ATOM 176 CG LEU A 11 1.561 -0.916 1.017 1.00 0.00 C ATOM 177 CD1 LEU A 11 0.211 -1.455 1.470 1.00 0.00 C ATOM 178 CD2 LEU A 11 1.815 0.471 1.591 1.00 0.00 C ATOM 0 H LEU A 11 3.654 -2.003 -0.842 1.00 0.00 H new ATOM 0 HA LEU A 11 4.281 -0.433 1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.493 -2.847 1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.601 -1.996 2.550 1.00 0.00 H new ATOM 0 HG LEU A 11 1.555 -0.843 -0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.579 -0.776 1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.046 -2.439 1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.198 -1.537 2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.024 1.149 1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.826 0.418 2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.777 0.841 1.236 1.00 0.00 H new ATOM 190 N GLY A 12 5.514 -3.403 1.021 1.00 0.00 N ATOM 191 CA GLY A 12 6.463 -4.390 1.522 1.00 0.00 C ATOM 192 C GLY A 12 5.766 -5.448 2.366 1.00 0.00 C ATOM 193 O GLY A 12 6.252 -5.826 3.431 1.00 0.00 O ATOM 0 H GLY A 12 5.208 -3.563 0.061 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.971 -4.867 0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.228 -3.892 2.118 1.00 0.00 H new ATOM 197 N VAL A 13 4.622 -5.923 1.883 1.00 0.00 N ATOM 198 CA VAL A 13 3.805 -6.866 2.637 1.00 0.00 C ATOM 199 C VAL A 13 3.178 -7.908 1.720 1.00 0.00 C ATOM 200 O VAL A 13 2.751 -7.594 0.609 1.00 0.00 O ATOM 201 CB VAL A 13 2.692 -6.119 3.399 1.00 0.00 C ATOM 202 CG1 VAL A 13 1.790 -5.374 2.426 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.889 -7.103 4.235 1.00 0.00 C ATOM 0 H VAL A 13 4.240 -5.670 0.972 1.00 0.00 H new ATOM 0 HA VAL A 13 4.457 -7.374 3.348 1.00 0.00 H new ATOM 0 HB VAL A 13 3.147 -5.386 4.065 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.010 -4.852 2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.381 -4.651 1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.333 -6.084 1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.104 -6.569 4.771 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.439 -7.852 3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.548 -7.594 4.951 1.00 0.00 H new ATOM 213 N SER A 14 3.126 -9.149 2.191 1.00 0.00 N ATOM 214 CA SER A 14 2.584 -10.247 1.400 1.00 0.00 C ATOM 215 C SER A 14 1.103 -10.037 1.109 1.00 0.00 C ATOM 216 O SER A 14 0.361 -9.529 1.950 1.00 0.00 O ATOM 217 CB SER A 14 2.783 -11.563 2.127 1.00 0.00 C ATOM 218 OG SER A 14 2.149 -12.612 1.448 1.00 0.00 O ATOM 0 H SER A 14 3.453 -9.420 3.118 1.00 0.00 H new ATOM 0 HA SER A 14 3.119 -10.274 0.451 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.848 -11.775 2.218 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.386 -11.487 3.139 1.00 0.00 H new ATOM 0 HG SER A 14 1.544 -13.080 2.061 1.00 0.00 H new ATOM 224 N PRO A 15 0.680 -10.432 -0.087 1.00 0.00 N ATOM 225 CA PRO A 15 -0.721 -10.318 -0.479 1.00 0.00 C ATOM 226 C PRO A 15 -1.584 -11.330 0.264 1.00 0.00 C ATOM 227 O PRO A 15 -2.812 -11.249 0.242 1.00 0.00 O ATOM 228 CB PRO A 15 -0.683 -10.606 -1.983 1.00 0.00 C ATOM 229 CG PRO A 15 0.498 -11.499 -2.155 1.00 0.00 C ATOM 230 CD PRO A 15 1.512 -10.971 -1.175 1.00 0.00 C ATOM 0 HA PRO A 15 -1.158 -9.347 -0.244 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.600 -11.090 -2.319 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.576 -9.688 -2.562 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.245 -12.538 -1.944 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.877 -11.464 -3.176 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.177 -11.758 -0.821 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.140 -10.200 -1.621 1.00 0.00 H new ATOM 238 N SER A 16 -0.935 -12.285 0.921 1.00 0.00 N ATOM 239 CA SER A 16 -1.635 -13.247 1.765 1.00 0.00 C ATOM 240 C SER A 16 -2.108 -12.601 3.060 1.00 0.00 C ATOM 241 O SER A 16 -2.947 -13.157 3.771 1.00 0.00 O ATOM 242 CB SER A 16 -0.729 -14.424 2.077 1.00 0.00 C ATOM 243 OG SER A 16 0.339 -14.030 2.895 1.00 0.00 O ATOM 0 H SER A 16 0.076 -12.414 0.885 1.00 0.00 H new ATOM 0 HA SER A 16 -2.510 -13.599 1.219 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.302 -15.208 2.573 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.345 -14.848 1.149 1.00 0.00 H new ATOM 0 HG SER A 16 0.909 -14.804 3.085 1.00 0.00 H new ATOM 249 N ALA A 17 -1.568 -11.427 3.363 1.00 0.00 N ATOM 250 CA ALA A 17 -1.951 -10.693 4.564 1.00 0.00 C ATOM 251 C ALA A 17 -3.335 -10.075 4.413 1.00 0.00 C ATOM 252 O ALA A 17 -3.743 -9.702 3.313 1.00 0.00 O ATOM 253 CB ALA A 17 -0.922 -9.616 4.878 1.00 0.00 C ATOM 0 H ALA A 17 -0.862 -10.961 2.793 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.986 -11.399 5.393 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.222 -9.077 5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.051 -10.079 5.040 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.858 -8.920 4.042 1.00 0.00 H new ATOM 259 N ASN A 18 -4.054 -9.968 5.525 1.00 0.00 N ATOM 260 CA ASN A 18 -5.377 -9.357 5.527 1.00 0.00 C ATOM 261 C ASN A 18 -5.284 -7.839 5.623 1.00 0.00 C ATOM 262 O ASN A 18 -4.197 -7.284 5.788 1.00 0.00 O ATOM 263 CB ASN A 18 -6.222 -9.912 6.659 1.00 0.00 C ATOM 264 CG ASN A 18 -5.691 -9.533 8.015 1.00 0.00 C ATOM 265 OD1 ASN A 18 -4.922 -8.574 8.148 1.00 0.00 O ATOM 266 ND2 ASN A 18 -6.089 -10.266 9.023 1.00 0.00 N ATOM 0 H ASN A 18 -3.741 -10.297 6.438 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.860 -9.604 4.581 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.244 -9.547 6.558 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.262 -10.998 6.579 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.764 -10.055 9.967 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.725 -11.048 8.865 1.00 0.00 H new ATOM 273 N GLU A 19 -6.428 -7.173 5.520 1.00 0.00 N ATOM 274 CA GLU A 19 -6.462 -5.719 5.413 1.00 0.00 C ATOM 275 C GLU A 19 -5.828 -5.063 6.632 1.00 0.00 C ATOM 276 O GLU A 19 -5.248 -3.982 6.537 1.00 0.00 O ATOM 277 CB GLU A 19 -7.902 -5.228 5.248 1.00 0.00 C ATOM 278 CG GLU A 19 -8.561 -5.646 3.941 1.00 0.00 C ATOM 279 CD GLU A 19 -9.135 -7.034 3.991 1.00 0.00 C ATOM 280 OE1 GLU A 19 -8.998 -7.676 5.004 1.00 0.00 O ATOM 281 OE2 GLU A 19 -9.709 -7.453 3.013 1.00 0.00 O ATOM 0 H GLU A 19 -7.346 -7.617 5.508 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.886 -5.437 4.532 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.499 -5.604 6.079 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.912 -4.140 5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.354 -4.939 3.698 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.828 -5.591 3.137 1.00 0.00 H new ATOM 288 N GLN A 20 -5.943 -5.722 7.780 1.00 0.00 N ATOM 289 CA GLN A 20 -5.385 -5.202 9.022 1.00 0.00 C ATOM 290 C GLN A 20 -3.863 -5.224 8.994 1.00 0.00 C ATOM 291 O GLN A 20 -3.211 -4.259 9.393 1.00 0.00 O ATOM 292 CB GLN A 20 -5.896 -6.010 10.219 1.00 0.00 C ATOM 293 CG GLN A 20 -7.377 -5.822 10.508 1.00 0.00 C ATOM 294 CD GLN A 20 -7.864 -6.715 11.635 1.00 0.00 C ATOM 295 OE1 GLN A 20 -7.287 -7.775 11.898 1.00 0.00 O ATOM 296 NE2 GLN A 20 -8.928 -6.292 12.305 1.00 0.00 N ATOM 0 H GLN A 20 -6.419 -6.619 7.876 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.711 -4.167 9.125 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.703 -7.068 10.039 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.325 -5.728 11.104 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.565 -4.780 10.767 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.950 -6.035 9.606 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.372 -5.409 12.052 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.302 -6.849 13.073 1.00 0.00 H new ATOM 305 N GLU A 21 -3.301 -6.331 8.520 1.00 0.00 N ATOM 306 CA GLU A 21 -1.853 -6.468 8.408 1.00 0.00 C ATOM 307 C GLU A 21 -1.309 -5.636 7.253 1.00 0.00 C ATOM 308 O GLU A 21 -0.187 -5.134 7.312 1.00 0.00 O ATOM 309 CB GLU A 21 -1.470 -7.937 8.216 1.00 0.00 C ATOM 310 CG GLU A 21 -1.729 -8.819 9.429 1.00 0.00 C ATOM 311 CD GLU A 21 -0.930 -8.407 10.633 1.00 0.00 C ATOM 312 OE1 GLU A 21 0.251 -8.194 10.494 1.00 0.00 O ATOM 313 OE2 GLU A 21 -1.499 -8.305 11.694 1.00 0.00 O ATOM 0 H GLU A 21 -3.827 -7.147 8.207 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.411 -6.101 9.334 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.025 -8.336 7.367 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.412 -7.993 7.961 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.790 -8.787 9.675 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.491 -9.853 9.178 1.00 0.00 H new ATOM 320 N LEU A 22 -2.112 -5.494 6.204 1.00 0.00 N ATOM 321 CA LEU A 22 -1.757 -4.640 5.077 1.00 0.00 C ATOM 322 C LEU A 22 -1.700 -3.174 5.494 1.00 0.00 C ATOM 323 O LEU A 22 -0.863 -2.414 5.011 1.00 0.00 O ATOM 324 CB LEU A 22 -2.768 -4.815 3.938 1.00 0.00 C ATOM 325 CG LEU A 22 -2.773 -6.189 3.258 1.00 0.00 C ATOM 326 CD1 LEU A 22 -3.963 -6.286 2.314 1.00 0.00 C ATOM 327 CD2 LEU A 22 -1.464 -6.389 2.509 1.00 0.00 C ATOM 0 H LEU A 22 -3.014 -5.960 6.111 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.768 -4.939 4.730 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.766 -4.621 4.330 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.569 -4.056 3.181 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.865 -6.975 4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.966 -7.263 1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.887 -6.158 2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.890 -5.507 1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.467 -7.366 2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.354 -5.611 1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.631 -6.334 3.210 1.00 0.00 H new ATOM 339 N LYS A 23 -2.597 -2.786 6.394 1.00 0.00 N ATOM 340 CA LYS A 23 -2.552 -1.460 6.999 1.00 0.00 C ATOM 341 C LYS A 23 -1.246 -1.243 7.751 1.00 0.00 C ATOM 342 O LYS A 23 -0.618 -0.190 7.635 1.00 0.00 O ATOM 343 CB LYS A 23 -3.741 -1.259 7.938 1.00 0.00 C ATOM 344 CG LYS A 23 -3.750 0.080 8.665 1.00 0.00 C ATOM 345 CD LYS A 23 -5.017 0.256 9.486 1.00 0.00 C ATOM 346 CE LYS A 23 -5.013 1.580 10.235 1.00 0.00 C ATOM 347 NZ LYS A 23 -6.245 1.762 11.049 1.00 0.00 N ATOM 0 H LYS A 23 -3.365 -3.372 6.721 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.609 -0.725 6.196 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.662 -1.353 7.363 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.744 -2.060 8.677 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.879 0.147 9.317 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.669 0.890 7.940 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.887 0.210 8.830 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.109 -0.566 10.196 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.139 1.627 10.884 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.925 2.400 9.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.203 2.676 11.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.078 1.743 10.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.317 0.994 11.747 1.00 0.00 H new ATOM 361 N LYS A 24 -0.842 -2.244 8.526 1.00 0.00 N ATOM 362 CA LYS A 24 0.412 -2.181 9.267 1.00 0.00 C ATOM 363 C LYS A 24 1.594 -1.954 8.332 1.00 0.00 C ATOM 364 O LYS A 24 2.526 -1.220 8.661 1.00 0.00 O ATOM 365 CB LYS A 24 0.622 -3.463 10.075 1.00 0.00 C ATOM 366 CG LYS A 24 -0.331 -3.628 11.251 1.00 0.00 C ATOM 367 CD LYS A 24 -0.100 -4.948 11.970 1.00 0.00 C ATOM 368 CE LYS A 24 -1.101 -5.146 13.099 1.00 0.00 C ATOM 369 NZ LYS A 24 -0.938 -6.471 13.760 1.00 0.00 N ATOM 0 H LYS A 24 -1.366 -3.109 8.657 1.00 0.00 H new ATOM 0 HA LYS A 24 0.351 -1.336 9.952 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.511 -4.319 9.410 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.646 -3.480 10.448 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.196 -2.803 11.950 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.361 -3.580 10.897 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.183 -5.771 11.260 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.913 -4.974 12.371 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.976 -4.354 13.838 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.114 -5.059 12.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.660 -6.581 14.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.048 -7.227 13.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.008 -6.532 14.187 1.00 0.00 H new ATOM 383 N GLY A 25 1.548 -2.587 7.163 1.00 0.00 N ATOM 384 CA GLY A 25 2.555 -2.366 6.132 1.00 0.00 C ATOM 385 C GLY A 25 2.627 -0.895 5.740 1.00 0.00 C ATOM 386 O GLY A 25 3.713 -0.330 5.610 1.00 0.00 O ATOM 0 H GLY A 25 0.823 -3.257 6.907 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.529 -2.697 6.494 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.319 -2.968 5.254 1.00 0.00 H new ATOM 390 N TYR A 26 1.464 -0.281 5.552 1.00 0.00 N ATOM 391 CA TYR A 26 1.391 1.141 5.237 1.00 0.00 C ATOM 392 C TYR A 26 1.956 1.987 6.370 1.00 0.00 C ATOM 393 O TYR A 26 2.750 2.901 6.139 1.00 0.00 O ATOM 394 CB TYR A 26 -0.053 1.550 4.937 1.00 0.00 C ATOM 395 CG TYR A 26 -0.230 3.033 4.701 1.00 0.00 C ATOM 396 CD1 TYR A 26 0.338 3.631 3.587 1.00 0.00 C ATOM 397 CD2 TYR A 26 -0.964 3.796 5.599 1.00 0.00 C ATOM 398 CE1 TYR A 26 0.175 4.985 3.370 1.00 0.00 C ATOM 399 CE2 TYR A 26 -1.126 5.150 5.383 1.00 0.00 C ATOM 400 CZ TYR A 26 -0.559 5.746 4.274 1.00 0.00 C ATOM 401 OH TYR A 26 -0.722 7.094 4.059 1.00 0.00 O ATOM 0 H TYR A 26 0.558 -0.746 5.612 1.00 0.00 H new ATOM 0 HA TYR A 26 1.998 1.318 4.349 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.399 1.008 4.057 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.688 1.246 5.769 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.909 3.037 2.888 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.408 3.331 6.466 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.616 5.452 2.501 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.697 5.743 6.082 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.629 7.286 3.103 1.00 0.00 H new ATOM 411 N ARG A 27 1.543 1.680 7.594 1.00 0.00 N ATOM 412 CA ARG A 27 1.970 2.442 8.761 1.00 0.00 C ATOM 413 C ARG A 27 3.486 2.558 8.818 1.00 0.00 C ATOM 414 O ARG A 27 4.027 3.626 9.104 1.00 0.00 O ATOM 415 CB ARG A 27 1.464 1.790 10.041 1.00 0.00 C ATOM 416 CG ARG A 27 -0.036 1.886 10.259 1.00 0.00 C ATOM 417 CD ARG A 27 -0.456 1.194 11.504 1.00 0.00 C ATOM 418 NE ARG A 27 0.055 1.858 12.693 1.00 0.00 N ATOM 419 CZ ARG A 27 0.024 1.335 13.934 1.00 0.00 C ATOM 420 NH1 ARG A 27 -0.493 0.143 14.132 1.00 0.00 N ATOM 421 NH2 ARG A 27 0.515 2.020 14.952 1.00 0.00 N ATOM 0 H ARG A 27 0.912 0.907 7.804 1.00 0.00 H new ATOM 0 HA ARG A 27 1.546 3.442 8.673 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.748 0.738 10.032 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.970 2.250 10.890 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.330 2.934 10.309 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.556 1.449 9.407 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.544 1.156 11.549 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.102 0.163 11.483 1.00 0.00 H new ATOM 0 HE ARG A 27 0.466 2.785 12.579 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.871 -0.386 13.346 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.516 -0.253 15.072 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.917 2.945 14.798 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.492 1.624 15.892 1.00 0.00 H new ATOM 435 N LYS A 28 4.171 1.453 8.544 1.00 0.00 N ATOM 436 CA LYS A 28 5.627 1.451 8.470 1.00 0.00 C ATOM 437 C LYS A 28 6.120 2.317 7.318 1.00 0.00 C ATOM 438 O LYS A 28 6.935 3.219 7.512 1.00 0.00 O ATOM 439 CB LYS A 28 6.154 0.024 8.319 1.00 0.00 C ATOM 440 CG LYS A 28 7.672 -0.082 8.249 1.00 0.00 C ATOM 441 CD LYS A 28 8.120 -1.534 8.155 1.00 0.00 C ATOM 442 CE LYS A 28 9.635 -1.640 8.053 1.00 0.00 C ATOM 443 NZ LYS A 28 10.089 -3.054 7.961 1.00 0.00 N ATOM 0 H LYS A 28 3.740 0.545 8.369 1.00 0.00 H new ATOM 0 HA LYS A 28 6.009 1.871 9.400 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.799 -0.572 9.159 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.729 -0.413 7.415 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.038 0.471 7.384 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.112 0.381 9.132 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.773 -2.081 9.032 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.661 -2.003 7.284 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.979 -1.091 7.176 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.091 -1.169 8.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.126 -3.082 7.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.783 -3.573 8.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.675 -3.497 7.116 1.00 0.00 H new ATOM 457 N ALA A 29 5.623 2.037 6.119 1.00 0.00 N ATOM 458 CA ALA A 29 6.056 2.750 4.923 1.00 0.00 C ATOM 459 C ALA A 29 5.690 4.227 5.001 1.00 0.00 C ATOM 460 O ALA A 29 6.426 5.085 4.515 1.00 0.00 O ATOM 461 CB ALA A 29 5.448 2.119 3.680 1.00 0.00 C ATOM 0 H ALA A 29 4.918 1.320 5.949 1.00 0.00 H new ATOM 0 HA ALA A 29 7.142 2.674 4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.781 2.663 2.796 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.766 1.079 3.607 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.361 2.162 3.745 1.00 0.00 H new ATOM 467 N ALA A 30 4.547 4.517 5.613 1.00 0.00 N ATOM 468 CA ALA A 30 4.067 5.888 5.729 1.00 0.00 C ATOM 469 C ALA A 30 5.043 6.750 6.519 1.00 0.00 C ATOM 470 O ALA A 30 5.313 7.894 6.153 1.00 0.00 O ATOM 471 CB ALA A 30 2.692 5.915 6.380 1.00 0.00 C ATOM 0 H ALA A 30 3.935 3.819 6.037 1.00 0.00 H new ATOM 0 HA ALA A 30 3.990 6.302 4.724 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.347 6.946 6.460 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.990 5.344 5.772 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.752 5.475 7.375 1.00 0.00 H new ATOM 477 N LEU A 31 5.574 6.192 7.603 1.00 0.00 N ATOM 478 CA LEU A 31 6.605 6.866 8.384 1.00 0.00 C ATOM 479 C LEU A 31 7.918 6.937 7.617 1.00 0.00 C ATOM 480 O LEU A 31 8.612 7.953 7.647 1.00 0.00 O ATOM 481 CB LEU A 31 6.821 6.136 9.716 1.00 0.00 C ATOM 482 CG LEU A 31 5.657 6.211 10.713 1.00 0.00 C ATOM 483 CD1 LEU A 31 5.945 5.302 11.899 1.00 0.00 C ATOM 484 CD2 LEU A 31 5.465 7.652 11.161 1.00 0.00 C ATOM 0 H LEU A 31 5.307 5.275 7.960 1.00 0.00 H new ATOM 0 HA LEU A 31 6.267 7.884 8.579 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.027 5.087 9.505 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.711 6.546 10.193 1.00 0.00 H new ATOM 0 HG LEU A 31 4.736 5.874 10.238 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.118 5.355 12.607 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.059 4.275 11.551 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.864 5.624 12.389 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.638 7.706 11.869 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.377 8.009 11.640 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.242 8.276 10.295 1.00 0.00 H new ATOM 496 N LYS A 32 8.256 5.849 6.931 1.00 0.00 N ATOM 497 CA LYS A 32 9.492 5.784 6.162 1.00 0.00 C ATOM 498 C LYS A 32 9.548 6.887 5.112 1.00 0.00 C ATOM 499 O LYS A 32 10.578 7.537 4.934 1.00 0.00 O ATOM 500 CB LYS A 32 9.636 4.415 5.494 1.00 0.00 C ATOM 501 CG LYS A 32 10.919 4.237 4.692 1.00 0.00 C ATOM 502 CD LYS A 32 11.026 2.829 4.125 1.00 0.00 C ATOM 503 CE LYS A 32 12.300 2.653 3.314 1.00 0.00 C ATOM 504 NZ LYS A 32 12.422 1.278 2.760 1.00 0.00 N ATOM 0 H LYS A 32 7.690 5.001 6.893 1.00 0.00 H new ATOM 0 HA LYS A 32 10.322 5.930 6.854 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.592 3.643 6.262 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.784 4.255 4.833 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.945 4.962 3.878 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.780 4.441 5.329 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.008 2.105 4.939 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.161 2.622 3.496 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.313 3.375 2.498 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.163 2.868 3.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.304 1.201 2.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.436 0.590 3.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.612 1.081 2.138 1.00 0.00 H new ATOM 518 N TYR A 33 8.434 7.093 4.419 1.00 0.00 N ATOM 519 CA TYR A 33 8.379 8.054 3.322 1.00 0.00 C ATOM 520 C TYR A 33 7.581 9.291 3.713 1.00 0.00 C ATOM 521 O TYR A 33 7.159 10.065 2.854 1.00 0.00 O ATOM 522 CB TYR A 33 7.777 7.405 2.074 1.00 0.00 C ATOM 523 CG TYR A 33 8.567 6.222 1.559 1.00 0.00 C ATOM 524 CD1 TYR A 33 8.037 4.943 1.649 1.00 0.00 C ATOM 525 CD2 TYR A 33 9.820 6.416 0.996 1.00 0.00 C ATOM 526 CE1 TYR A 33 8.758 3.863 1.179 1.00 0.00 C ATOM 527 CE2 TYR A 33 10.540 5.335 0.527 1.00 0.00 C ATOM 528 CZ TYR A 33 10.014 4.063 0.617 1.00 0.00 C ATOM 529 OH TYR A 33 10.733 2.987 0.149 1.00 0.00 O ATOM 0 H TYR A 33 7.555 6.607 4.597 1.00 0.00 H new ATOM 0 HA TYR A 33 9.399 8.368 3.099 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.761 7.081 2.299 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.706 8.154 1.285 1.00 0.00 H new ATOM 0 HD1 TYR A 33 7.061 4.792 2.086 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.232 7.412 0.925 1.00 0.00 H new ATOM 0 HE1 TYR A 33 8.348 2.866 1.248 1.00 0.00 H new ATOM 0 HE2 TYR A 33 11.516 5.486 0.089 1.00 0.00 H new ATOM 0 HH TYR A 33 11.589 3.298 -0.214 1.00 0.00 H new ATOM 539 N HIS A 34 7.376 9.471 5.013 1.00 0.00 N ATOM 540 CA HIS A 34 6.566 10.575 5.516 1.00 0.00 C ATOM 541 C HIS A 34 7.032 11.906 4.940 1.00 0.00 C ATOM 542 O HIS A 34 8.230 12.171 4.857 1.00 0.00 O ATOM 543 CB HIS A 34 6.615 10.629 7.046 1.00 0.00 C ATOM 544 CG HIS A 34 5.528 11.459 7.653 1.00 0.00 C ATOM 545 ND1 HIS A 34 5.572 12.838 7.679 1.00 0.00 N ATOM 546 CD2 HIS A 34 4.369 11.108 8.259 1.00 0.00 C ATOM 547 CE1 HIS A 34 4.484 13.299 8.274 1.00 0.00 C ATOM 548 NE2 HIS A 34 3.740 12.270 8.634 1.00 0.00 N ATOM 0 H HIS A 34 7.760 8.866 5.739 1.00 0.00 H new ATOM 0 HA HIS A 34 5.538 10.400 5.198 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.548 9.615 7.439 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.581 11.028 7.356 1.00 0.00 H new ATOM 0 HD2 HIS A 34 4.007 10.103 8.418 1.00 0.00 H new ATOM 0 HE1 HIS A 34 4.245 14.340 8.437 1.00 0.00 H new ATOM 0 HE2 HIS A 34 2.842 12.328 9.114 1.00 0.00 H new ATOM 556 N PRO A 35 6.076 12.739 4.544 1.00 0.00 N ATOM 557 CA PRO A 35 6.388 14.028 3.937 1.00 0.00 C ATOM 558 C PRO A 35 7.358 14.824 4.800 1.00 0.00 C ATOM 559 O PRO A 35 8.215 15.543 4.287 1.00 0.00 O ATOM 560 CB PRO A 35 5.018 14.709 3.852 1.00 0.00 C ATOM 561 CG PRO A 35 4.062 13.583 3.659 1.00 0.00 C ATOM 562 CD PRO A 35 4.597 12.480 4.533 1.00 0.00 C ATOM 0 HA PRO A 35 6.880 13.941 2.968 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.795 15.270 4.760 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.975 15.415 3.023 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.051 13.866 3.952 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.017 13.275 2.614 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.174 12.520 5.537 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.363 11.496 4.128 1.00 0.00 H new ATOM 570 N ASP A 36 7.219 14.690 6.115 1.00 0.00 N ATOM 571 CA ASP A 36 8.024 15.463 7.052 1.00 0.00 C ATOM 572 C ASP A 36 9.321 14.741 7.393 1.00 0.00 C ATOM 573 O ASP A 36 10.199 15.299 8.051 1.00 0.00 O ATOM 574 CB ASP A 36 7.235 15.741 8.336 1.00 0.00 C ATOM 575 CG ASP A 36 6.048 16.667 8.113 1.00 0.00 C ATOM 576 OD1 ASP A 36 6.067 17.408 7.159 1.00 0.00 O ATOM 577 OD2 ASP A 36 5.132 16.625 8.899 1.00 0.00 O ATOM 0 H ASP A 36 6.556 14.053 6.555 1.00 0.00 H new ATOM 0 HA ASP A 36 8.272 16.409 6.571 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.880 14.797 8.750 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.901 16.184 9.077 1.00 0.00 H new ATOM 582 N LYS A 37 9.434 13.497 6.940 1.00 0.00 N ATOM 583 CA LYS A 37 10.650 12.718 7.139 1.00 0.00 C ATOM 584 C LYS A 37 11.808 13.287 6.330 1.00 0.00 C ATOM 585 O LYS A 37 11.711 13.440 5.112 1.00 0.00 O ATOM 586 CB LYS A 37 10.415 11.254 6.763 1.00 0.00 C ATOM 587 CG LYS A 37 11.592 10.332 7.061 1.00 0.00 C ATOM 588 CD LYS A 37 11.707 10.043 8.549 1.00 0.00 C ATOM 589 CE LYS A 37 12.853 9.086 8.841 1.00 0.00 C ATOM 590 NZ LYS A 37 12.989 8.809 10.297 1.00 0.00 N ATOM 0 H LYS A 37 8.698 13.007 6.432 1.00 0.00 H new ATOM 0 HA LYS A 37 10.913 12.775 8.195 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.539 10.890 7.299 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.184 11.197 5.699 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.470 9.396 6.515 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.515 10.791 6.705 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.862 10.976 9.091 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.772 9.615 8.912 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.689 8.150 8.307 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.784 9.509 8.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.781 8.153 10.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.171 9.699 10.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.110 8.382 10.653 1.00 0.00 H new ATOM 604 N PRO A 38 12.904 13.599 7.013 1.00 0.00 N ATOM 605 CA PRO A 38 14.078 14.169 6.361 1.00 0.00 C ATOM 606 C PRO A 38 14.522 13.313 5.183 1.00 0.00 C ATOM 607 O PRO A 38 14.965 13.832 4.158 1.00 0.00 O ATOM 608 CB PRO A 38 15.124 14.176 7.480 1.00 0.00 C ATOM 609 CG PRO A 38 14.325 14.344 8.728 1.00 0.00 C ATOM 610 CD PRO A 38 13.088 13.519 8.494 1.00 0.00 C ATOM 0 HA PRO A 38 13.901 15.159 5.940 1.00 0.00 H new ATOM 0 HB2 PRO A 38 15.696 13.249 7.496 1.00 0.00 H new ATOM 0 HB3 PRO A 38 15.838 14.989 7.352 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.875 13.996 9.602 1.00 0.00 H new ATOM 0 HG3 PRO A 38 14.077 15.391 8.903 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.220 12.490 8.829 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.228 13.921 9.030 1.00 0.00 H new ATOM 618 N THR A 39 14.401 11.998 5.333 1.00 0.00 N ATOM 619 CA THR A 39 14.779 11.067 4.276 1.00 0.00 C ATOM 620 C THR A 39 13.561 10.343 3.717 1.00 0.00 C ATOM 621 O THR A 39 13.637 9.170 3.354 1.00 0.00 O ATOM 622 CB THR A 39 15.804 10.038 4.785 1.00 0.00 C ATOM 623 OG1 THR A 39 15.257 9.326 5.903 1.00 0.00 O ATOM 624 CG2 THR A 39 17.090 10.730 5.212 1.00 0.00 C ATOM 0 H THR A 39 14.043 11.552 6.178 1.00 0.00 H new ATOM 0 HA THR A 39 15.234 11.653 3.478 1.00 0.00 H new ATOM 0 HB THR A 39 16.028 9.343 3.976 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.910 8.670 6.225 1.00 0.00 H new ATOM 0 HG21 THR A 39 17.802 9.986 5.569 1.00 0.00 H new ATOM 0 HG22 THR A 39 17.516 11.262 4.362 1.00 0.00 H new ATOM 0 HG23 THR A 39 16.874 11.438 6.012 1.00 0.00 H new ATOM 632 N GLY A 40 12.437 11.051 3.651 1.00 0.00 N ATOM 633 CA GLY A 40 11.204 10.480 3.123 1.00 0.00 C ATOM 634 C GLY A 40 11.067 10.755 1.630 1.00 0.00 C ATOM 635 O GLY A 40 12.040 11.097 0.960 1.00 0.00 O ATOM 0 H GLY A 40 12.356 12.021 3.957 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.193 9.405 3.300 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.349 10.900 3.653 1.00 0.00 H new ATOM 639 N ASP A 41 9.852 10.600 1.116 1.00 0.00 N ATOM 640 CA ASP A 41 9.593 10.786 -0.306 1.00 0.00 C ATOM 641 C ASP A 41 8.110 11.007 -0.574 1.00 0.00 C ATOM 642 O ASP A 41 7.303 10.085 -0.455 1.00 0.00 O ATOM 643 CB ASP A 41 10.086 9.574 -1.104 1.00 0.00 C ATOM 644 CG ASP A 41 9.925 9.751 -2.608 1.00 0.00 C ATOM 645 OD1 ASP A 41 9.053 10.482 -3.011 1.00 0.00 O ATOM 646 OD2 ASP A 41 10.677 9.151 -3.339 1.00 0.00 O ATOM 0 H ASP A 41 9.030 10.346 1.664 1.00 0.00 H new ATOM 0 HA ASP A 41 10.138 11.674 -0.627 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.137 9.397 -0.874 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.536 8.688 -0.786 1.00 0.00 H new ATOM 651 N THR A 42 7.756 12.236 -0.935 1.00 0.00 N ATOM 652 CA THR A 42 6.356 12.615 -1.092 1.00 0.00 C ATOM 653 C THR A 42 5.692 11.821 -2.209 1.00 0.00 C ATOM 654 O THR A 42 4.571 11.336 -2.058 1.00 0.00 O ATOM 655 CB THR A 42 6.220 14.122 -1.376 1.00 0.00 C ATOM 656 OG1 THR A 42 6.748 14.870 -0.274 1.00 0.00 O ATOM 657 CG2 THR A 42 4.760 14.495 -1.583 1.00 0.00 C ATOM 0 H THR A 42 8.420 12.987 -1.124 1.00 0.00 H new ATOM 0 HA THR A 42 5.852 12.386 -0.153 1.00 0.00 H new ATOM 0 HB THR A 42 6.778 14.357 -2.283 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.662 15.829 -0.458 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.682 15.564 -1.783 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.359 13.938 -2.429 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.191 14.251 -0.686 1.00 0.00 H new ATOM 665 N GLU A 43 6.392 11.690 -3.332 1.00 0.00 N ATOM 666 CA GLU A 43 5.878 10.938 -4.471 1.00 0.00 C ATOM 667 C GLU A 43 5.599 9.489 -4.094 1.00 0.00 C ATOM 668 O GLU A 43 4.535 8.952 -4.403 1.00 0.00 O ATOM 669 CB GLU A 43 6.871 10.990 -5.635 1.00 0.00 C ATOM 670 CG GLU A 43 6.408 10.262 -6.888 1.00 0.00 C ATOM 671 CD GLU A 43 7.371 10.398 -8.034 1.00 0.00 C ATOM 672 OE1 GLU A 43 8.362 11.070 -7.875 1.00 0.00 O ATOM 673 OE2 GLU A 43 7.116 9.831 -9.069 1.00 0.00 O ATOM 0 H GLU A 43 7.317 12.095 -3.477 1.00 0.00 H new ATOM 0 HA GLU A 43 4.939 11.399 -4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.064 12.033 -5.886 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.818 10.560 -5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.272 9.205 -6.658 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.435 10.651 -7.189 1.00 0.00 H new ATOM 680 N LYS A 44 6.558 8.861 -3.424 1.00 0.00 N ATOM 681 CA LYS A 44 6.404 7.483 -2.978 1.00 0.00 C ATOM 682 C LYS A 44 5.321 7.365 -1.912 1.00 0.00 C ATOM 683 O LYS A 44 4.585 6.380 -1.866 1.00 0.00 O ATOM 684 CB LYS A 44 7.731 6.941 -2.443 1.00 0.00 C ATOM 685 CG LYS A 44 7.705 5.464 -2.074 1.00 0.00 C ATOM 686 CD LYS A 44 7.388 4.598 -3.284 1.00 0.00 C ATOM 687 CE LYS A 44 8.465 4.721 -4.351 1.00 0.00 C ATOM 688 NZ LYS A 44 8.195 3.839 -5.519 1.00 0.00 N ATOM 0 H LYS A 44 7.452 9.286 -3.178 1.00 0.00 H new ATOM 0 HA LYS A 44 6.100 6.887 -3.839 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.504 7.102 -3.194 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.017 7.518 -1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.670 5.174 -1.659 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.960 5.294 -1.297 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.297 3.557 -2.975 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.425 4.892 -3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.528 5.757 -4.685 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.433 4.466 -3.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.841 4.085 -6.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.344 2.846 -5.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.212 3.968 -5.832 1.00 0.00 H new ATOM 702 N PHE A 45 5.232 8.376 -1.054 1.00 0.00 N ATOM 703 CA PHE A 45 4.192 8.426 -0.034 1.00 0.00 C ATOM 704 C PHE A 45 2.804 8.381 -0.662 1.00 0.00 C ATOM 705 O PHE A 45 1.906 7.704 -0.160 1.00 0.00 O ATOM 706 CB PHE A 45 4.332 9.691 0.813 1.00 0.00 C ATOM 707 CG PHE A 45 3.389 9.748 1.981 1.00 0.00 C ATOM 708 CD1 PHE A 45 2.230 10.506 1.916 1.00 0.00 C ATOM 709 CD2 PHE A 45 3.659 9.044 3.144 1.00 0.00 C ATOM 710 CE1 PHE A 45 1.360 10.558 2.990 1.00 0.00 C ATOM 711 CE2 PHE A 45 2.792 9.094 4.218 1.00 0.00 C ATOM 712 CZ PHE A 45 1.641 9.853 4.141 1.00 0.00 C ATOM 0 H PHE A 45 5.869 9.173 -1.045 1.00 0.00 H new ATOM 0 HA PHE A 45 4.313 7.551 0.605 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.356 9.759 1.181 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.163 10.562 0.179 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.004 11.061 1.018 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.558 8.449 3.211 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.460 11.151 2.927 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.014 8.540 5.118 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.963 9.894 4.980 1.00 0.00 H new ATOM 722 N LYS A 46 2.634 9.106 -1.761 1.00 0.00 N ATOM 723 CA LYS A 46 1.375 9.100 -2.497 1.00 0.00 C ATOM 724 C LYS A 46 1.081 7.721 -3.074 1.00 0.00 C ATOM 725 O LYS A 46 -0.064 7.269 -3.077 1.00 0.00 O ATOM 726 CB LYS A 46 1.401 10.144 -3.614 1.00 0.00 C ATOM 727 CG LYS A 46 1.356 11.587 -3.127 1.00 0.00 C ATOM 728 CD LYS A 46 1.421 12.564 -4.291 1.00 0.00 C ATOM 729 CE LYS A 46 1.364 14.006 -3.808 1.00 0.00 C ATOM 730 NZ LYS A 46 1.451 14.975 -4.934 1.00 0.00 N ATOM 0 H LYS A 46 3.354 9.707 -2.163 1.00 0.00 H new ATOM 0 HA LYS A 46 0.579 9.353 -1.797 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.304 10.001 -4.207 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.553 9.970 -4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.440 11.754 -2.560 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.189 11.770 -2.448 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.341 12.403 -4.853 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.593 12.374 -4.974 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.435 14.169 -3.261 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.181 14.187 -3.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.409 15.945 -4.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.348 14.838 -5.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.657 14.820 -5.587 1.00 0.00 H new ATOM 744 N GLU A 47 2.122 7.058 -3.565 1.00 0.00 N ATOM 745 CA GLU A 47 1.975 5.736 -4.164 1.00 0.00 C ATOM 746 C GLU A 47 1.503 4.716 -3.139 1.00 0.00 C ATOM 747 O GLU A 47 0.611 3.911 -3.413 1.00 0.00 O ATOM 748 CB GLU A 47 3.300 5.279 -4.780 1.00 0.00 C ATOM 749 CG GLU A 47 3.708 6.044 -6.032 1.00 0.00 C ATOM 750 CD GLU A 47 5.008 5.561 -6.614 1.00 0.00 C ATOM 751 OE1 GLU A 47 5.589 4.661 -6.056 1.00 0.00 O ATOM 752 OE2 GLU A 47 5.421 6.094 -7.617 1.00 0.00 O ATOM 0 H GLU A 47 3.078 7.414 -3.560 1.00 0.00 H new ATOM 0 HA GLU A 47 1.221 5.808 -4.948 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.088 5.381 -4.034 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.227 4.219 -5.024 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.922 5.950 -6.782 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.794 7.104 -5.792 1.00 0.00 H new ATOM 759 N ILE A 48 2.104 4.752 -1.954 1.00 0.00 N ATOM 760 CA ILE A 48 1.760 3.816 -0.891 1.00 0.00 C ATOM 761 C ILE A 48 0.445 4.202 -0.224 1.00 0.00 C ATOM 762 O ILE A 48 -0.197 3.377 0.429 1.00 0.00 O ATOM 763 CB ILE A 48 2.875 3.755 0.168 1.00 0.00 C ATOM 764 CG1 ILE A 48 3.043 5.116 0.848 1.00 0.00 C ATOM 765 CG2 ILE A 48 4.184 3.306 -0.462 1.00 0.00 C ATOM 766 CD1 ILE A 48 3.954 5.089 2.055 1.00 0.00 C ATOM 0 H ILE A 48 2.833 5.421 -1.706 1.00 0.00 H new ATOM 0 HA ILE A 48 1.648 2.832 -1.347 1.00 0.00 H new ATOM 0 HB ILE A 48 2.591 3.025 0.926 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.438 5.827 0.123 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.063 5.482 1.153 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.961 3.269 0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.057 2.316 -0.899 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.474 4.012 -1.241 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.023 6.090 2.482 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.550 4.404 2.800 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.947 4.754 1.754 1.00 0.00 H new ATOM 778 N SER A 49 0.049 5.458 -0.391 1.00 0.00 N ATOM 779 CA SER A 49 -1.246 5.925 0.093 1.00 0.00 C ATOM 780 C SER A 49 -2.382 5.382 -0.764 1.00 0.00 C ATOM 781 O SER A 49 -3.451 5.046 -0.254 1.00 0.00 O ATOM 782 CB SER A 49 -1.285 7.441 0.100 1.00 0.00 C ATOM 783 OG SER A 49 -0.422 7.961 1.073 1.00 0.00 O ATOM 0 H SER A 49 0.606 6.173 -0.859 1.00 0.00 H new ATOM 0 HA SER A 49 -1.378 5.556 1.110 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.002 7.820 -0.882 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.303 7.781 0.292 1.00 0.00 H new ATOM 0 HG SER A 49 0.440 8.180 0.662 1.00 0.00 H new ATOM 789 N GLU A 50 -2.144 5.297 -2.068 1.00 0.00 N ATOM 790 CA GLU A 50 -3.039 4.575 -2.964 1.00 0.00 C ATOM 791 C GLU A 50 -3.082 3.091 -2.624 1.00 0.00 C ATOM 792 O GLU A 50 -4.148 2.474 -2.627 1.00 0.00 O ATOM 793 CB GLU A 50 -2.600 4.761 -4.419 1.00 0.00 C ATOM 794 CG GLU A 50 -2.979 6.106 -5.023 1.00 0.00 C ATOM 795 CD GLU A 50 -2.479 6.277 -6.430 1.00 0.00 C ATOM 796 OE1 GLU A 50 -2.417 5.303 -7.142 1.00 0.00 O ATOM 797 OE2 GLU A 50 -2.159 7.384 -6.795 1.00 0.00 O ATOM 0 H GLU A 50 -1.338 5.720 -2.528 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.040 4.985 -2.835 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.518 4.642 -4.477 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.041 3.968 -5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.064 6.210 -5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.576 6.905 -4.400 1.00 0.00 H new ATOM 804 N ALA A 51 -1.918 2.523 -2.329 1.00 0.00 N ATOM 805 CA ALA A 51 -1.834 1.141 -1.869 1.00 0.00 C ATOM 806 C ALA A 51 -2.673 0.926 -0.616 1.00 0.00 C ATOM 807 O ALA A 51 -3.393 -0.068 -0.502 1.00 0.00 O ATOM 808 CB ALA A 51 -0.386 0.758 -1.607 1.00 0.00 C ATOM 0 H ALA A 51 -1.018 2.998 -2.400 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.232 0.500 -2.655 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.339 -0.276 -1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.190 0.862 -2.527 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.031 1.413 -0.842 1.00 0.00 H new ATOM 814 N PHE A 52 -2.578 1.862 0.322 1.00 0.00 N ATOM 815 CA PHE A 52 -3.359 1.796 1.552 1.00 0.00 C ATOM 816 C PHE A 52 -4.854 1.798 1.256 1.00 0.00 C ATOM 817 O PHE A 52 -5.568 0.858 1.607 1.00 0.00 O ATOM 818 CB PHE A 52 -3.015 2.971 2.468 1.00 0.00 C ATOM 819 CG PHE A 52 -3.932 3.109 3.649 1.00 0.00 C ATOM 820 CD1 PHE A 52 -4.005 2.111 4.609 1.00 0.00 C ATOM 821 CD2 PHE A 52 -4.725 4.236 3.804 1.00 0.00 C ATOM 822 CE1 PHE A 52 -4.848 2.236 5.696 1.00 0.00 C ATOM 823 CE2 PHE A 52 -5.568 4.365 4.889 1.00 0.00 C ATOM 824 CZ PHE A 52 -5.629 3.363 5.837 1.00 0.00 C ATOM 0 H PHE A 52 -1.967 2.676 0.254 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.106 0.862 2.054 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.992 2.853 2.826 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.045 3.893 1.887 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.395 1.225 4.506 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.682 5.023 3.066 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.895 1.450 6.436 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.179 5.249 4.996 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.287 3.462 6.687 1.00 0.00 H new ATOM 834 N GLU A 53 -5.322 2.859 0.608 1.00 0.00 N ATOM 835 CA GLU A 53 -6.744 3.023 0.334 1.00 0.00 C ATOM 836 C GLU A 53 -7.307 1.813 -0.402 1.00 0.00 C ATOM 837 O GLU A 53 -8.380 1.314 -0.063 1.00 0.00 O ATOM 838 CB GLU A 53 -6.987 4.291 -0.490 1.00 0.00 C ATOM 839 CG GLU A 53 -8.424 4.471 -0.958 1.00 0.00 C ATOM 840 CD GLU A 53 -9.388 4.678 0.176 1.00 0.00 C ATOM 841 OE1 GLU A 53 -8.961 5.106 1.222 1.00 0.00 O ATOM 842 OE2 GLU A 53 -10.552 4.410 -0.001 1.00 0.00 O ATOM 0 H GLU A 53 -4.736 3.619 0.262 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.258 3.113 1.291 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.701 5.157 0.106 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.333 4.274 -1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.476 5.325 -1.633 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.727 3.594 -1.530 1.00 0.00 H new ATOM 849 N ILE A 54 -6.577 1.347 -1.408 1.00 0.00 N ATOM 850 CA ILE A 54 -7.008 0.202 -2.201 1.00 0.00 C ATOM 851 C ILE A 54 -7.026 -1.071 -1.365 1.00 0.00 C ATOM 852 O ILE A 54 -7.990 -1.837 -1.405 1.00 0.00 O ATOM 853 CB ILE A 54 -6.090 0.002 -3.421 1.00 0.00 C ATOM 854 CG1 ILE A 54 -6.293 1.133 -4.433 1.00 0.00 C ATOM 855 CG2 ILE A 54 -6.352 -1.349 -4.068 1.00 0.00 C ATOM 856 CD1 ILE A 54 -5.230 1.189 -5.506 1.00 0.00 C ATOM 0 H ILE A 54 -5.683 1.745 -1.694 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.021 0.410 -2.547 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.054 0.025 -3.083 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.268 1.014 -4.906 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.310 2.085 -3.902 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.695 -1.474 -4.929 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.159 -2.142 -3.346 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.391 -1.401 -4.394 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.442 2.015 -6.185 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.254 1.340 -5.044 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.227 0.253 -6.064 1.00 0.00 H new ATOM 868 N LEU A 55 -5.957 -1.293 -0.609 1.00 0.00 N ATOM 869 CA LEU A 55 -5.772 -2.547 0.110 1.00 0.00 C ATOM 870 C LEU A 55 -6.408 -2.490 1.493 1.00 0.00 C ATOM 871 O LEU A 55 -6.448 -3.489 2.211 1.00 0.00 O ATOM 872 CB LEU A 55 -4.279 -2.870 0.239 1.00 0.00 C ATOM 873 CG LEU A 55 -3.524 -3.069 -1.082 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.050 -3.320 -0.791 1.00 0.00 C ATOM 875 CD2 LEU A 55 -4.136 -4.232 -1.847 1.00 0.00 C ATOM 0 H LEU A 55 -5.203 -0.618 -0.478 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.264 -3.334 -0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.798 -2.064 0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.172 -3.775 0.837 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.606 -2.173 -1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.513 -3.461 -1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.633 -2.464 -0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.948 -4.214 -0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.599 -4.373 -2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.064 -5.140 -1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.184 -4.018 -2.057 1.00 0.00 H new ATOM 887 N ASN A 56 -6.905 -1.314 1.861 1.00 0.00 N ATOM 888 CA ASN A 56 -7.686 -1.162 3.083 1.00 0.00 C ATOM 889 C ASN A 56 -9.129 -1.603 2.873 1.00 0.00 C ATOM 890 O ASN A 56 -9.635 -2.463 3.596 1.00 0.00 O ATOM 891 CB ASN A 56 -7.633 0.273 3.574 1.00 0.00 C ATOM 892 CG ASN A 56 -8.347 0.462 4.884 1.00 0.00 C ATOM 893 OD1 ASN A 56 -8.022 -0.193 5.882 1.00 0.00 O ATOM 894 ND2 ASN A 56 -9.312 1.344 4.903 1.00 0.00 N ATOM 0 H ASN A 56 -6.781 -0.452 1.330 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.246 -1.806 3.844 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.592 0.577 3.684 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.078 0.927 2.824 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.830 1.514 5.765 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.546 1.862 4.056 1.00 0.00 H new ATOM 901 N ASP A 57 -9.785 -1.012 1.881 1.00 0.00 N ATOM 902 CA ASP A 57 -11.123 -1.438 1.486 1.00 0.00 C ATOM 903 C ASP A 57 -11.096 -2.819 0.844 1.00 0.00 C ATOM 904 O ASP A 57 -10.505 -3.006 -0.220 1.00 0.00 O ATOM 905 CB ASP A 57 -11.743 -0.428 0.519 1.00 0.00 C ATOM 906 CG ASP A 57 -13.185 -0.762 0.156 1.00 0.00 C ATOM 907 OD1 ASP A 57 -13.606 -1.861 0.431 1.00 0.00 O ATOM 908 OD2 ASP A 57 -13.850 0.083 -0.390 1.00 0.00 O ATOM 0 H ASP A 57 -9.412 -0.236 1.335 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.733 -1.491 2.388 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.707 0.565 0.967 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.144 -0.389 -0.391 1.00 0.00 H new ATOM 913 N PRO A 58 -11.739 -3.781 1.495 1.00 0.00 N ATOM 914 CA PRO A 58 -11.762 -5.155 1.004 1.00 0.00 C ATOM 915 C PRO A 58 -12.216 -5.212 -0.449 1.00 0.00 C ATOM 916 O PRO A 58 -11.736 -6.036 -1.227 1.00 0.00 O ATOM 917 CB PRO A 58 -12.766 -5.839 1.938 1.00 0.00 C ATOM 918 CG PRO A 58 -12.629 -5.099 3.225 1.00 0.00 C ATOM 919 CD PRO A 58 -12.433 -3.664 2.814 1.00 0.00 C ATOM 0 HA PRO A 58 -10.783 -5.633 1.012 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -13.782 -5.774 1.547 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.538 -6.898 2.061 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -13.516 -5.216 3.847 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.782 -5.465 3.805 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -13.383 -3.137 2.724 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.831 -3.116 3.539 1.00 0.00 H new ATOM 927 N GLN A 59 -13.147 -4.333 -0.808 1.00 0.00 N ATOM 928 CA GLN A 59 -13.699 -4.311 -2.157 1.00 0.00 C ATOM 929 C GLN A 59 -12.657 -3.858 -3.172 1.00 0.00 C ATOM 930 O GLN A 59 -12.507 -4.462 -4.234 1.00 0.00 O ATOM 931 CB GLN A 59 -14.923 -3.393 -2.220 1.00 0.00 C ATOM 932 CG GLN A 59 -15.611 -3.363 -3.574 1.00 0.00 C ATOM 933 CD GLN A 59 -16.194 -4.709 -3.957 1.00 0.00 C ATOM 934 OE1 GLN A 59 -16.931 -5.324 -3.181 1.00 0.00 O ATOM 935 NE2 GLN A 59 -15.869 -5.175 -5.157 1.00 0.00 N ATOM 0 H GLN A 59 -13.535 -3.627 -0.183 1.00 0.00 H new ATOM 0 HA GLN A 59 -14.002 -5.327 -2.408 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -15.643 -3.714 -1.467 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -14.617 -2.380 -1.958 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -16.406 -2.617 -3.558 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -14.896 -3.050 -4.335 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -15.256 -4.633 -5.766 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -16.232 -6.075 -5.470 1.00 0.00 H new ATOM 944 N LYS A 60 -11.939 -2.791 -2.838 1.00 0.00 N ATOM 945 CA LYS A 60 -10.910 -2.253 -3.720 1.00 0.00 C ATOM 946 C LYS A 60 -9.710 -3.189 -3.802 1.00 0.00 C ATOM 947 O LYS A 60 -9.061 -3.293 -4.842 1.00 0.00 O ATOM 948 CB LYS A 60 -10.467 -0.868 -3.245 1.00 0.00 C ATOM 949 CG LYS A 60 -11.518 0.221 -3.416 1.00 0.00 C ATOM 950 CD LYS A 60 -10.999 1.568 -2.936 1.00 0.00 C ATOM 951 CE LYS A 60 -12.063 2.649 -3.061 1.00 0.00 C ATOM 952 NZ LYS A 60 -11.559 3.980 -2.625 1.00 0.00 N ATOM 0 H LYS A 60 -12.051 -2.281 -1.962 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.340 -2.163 -4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.192 -0.929 -2.192 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.570 -0.579 -3.792 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.804 0.292 -4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.416 -0.046 -2.858 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.680 1.488 -1.897 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.121 1.850 -3.518 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.398 2.710 -4.096 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.930 2.375 -2.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.320 4.684 -2.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.247 3.926 -1.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.758 4.262 -3.226 1.00 0.00 H new ATOM 966 N ARG A 61 -9.420 -3.865 -2.697 1.00 0.00 N ATOM 967 CA ARG A 61 -8.368 -4.877 -2.672 1.00 0.00 C ATOM 968 C ARG A 61 -8.652 -5.990 -3.671 1.00 0.00 C ATOM 969 O ARG A 61 -7.767 -6.406 -4.419 1.00 0.00 O ATOM 970 CB ARG A 61 -8.230 -5.472 -1.278 1.00 0.00 C ATOM 971 CG ARG A 61 -7.170 -6.553 -1.147 1.00 0.00 C ATOM 972 CD ARG A 61 -7.219 -7.212 0.183 1.00 0.00 C ATOM 973 NE ARG A 61 -8.539 -7.744 0.476 1.00 0.00 N ATOM 974 CZ ARG A 61 -9.113 -8.772 -0.179 1.00 0.00 C ATOM 975 NH1 ARG A 61 -8.471 -9.366 -1.159 1.00 0.00 N ATOM 976 NH2 ARG A 61 -10.322 -9.182 0.163 1.00 0.00 N ATOM 0 H ARG A 61 -9.898 -3.732 -1.806 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.435 -4.387 -2.949 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.999 -4.670 -0.577 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.192 -5.888 -0.979 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.313 -7.299 -1.928 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.183 -6.116 -1.300 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.487 -8.019 0.215 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.937 -6.495 0.954 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.069 -7.308 1.231 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.538 -9.049 -1.424 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.905 -10.144 -1.655 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.821 -8.720 0.923 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.756 -9.960 -0.333 1.00 0.00 H new ATOM 990 N GLU A 62 -9.891 -6.470 -3.679 1.00 0.00 N ATOM 991 CA GLU A 62 -10.309 -7.495 -4.628 1.00 0.00 C ATOM 992 C GLU A 62 -10.236 -6.983 -6.060 1.00 0.00 C ATOM 993 O GLU A 62 -9.790 -7.694 -6.961 1.00 0.00 O ATOM 994 CB GLU A 62 -11.733 -7.962 -4.315 1.00 0.00 C ATOM 995 CG GLU A 62 -11.847 -8.854 -3.088 1.00 0.00 C ATOM 996 CD GLU A 62 -11.201 -10.199 -3.281 1.00 0.00 C ATOM 997 OE1 GLU A 62 -11.218 -10.693 -4.382 1.00 0.00 O ATOM 998 OE2 GLU A 62 -10.691 -10.733 -2.325 1.00 0.00 O ATOM 0 H GLU A 62 -10.624 -6.165 -3.038 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.625 -8.338 -4.530 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.366 -7.086 -4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.124 -8.501 -5.178 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.385 -8.353 -2.237 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.900 -8.994 -2.843 1.00 0.00 H new ATOM 1005 N ILE A 63 -10.673 -5.746 -6.264 1.00 0.00 N ATOM 1006 CA ILE A 63 -10.612 -5.120 -7.579 1.00 0.00 C ATOM 1007 C ILE A 63 -9.177 -5.027 -8.081 1.00 0.00 C ATOM 1008 O ILE A 63 -8.906 -5.245 -9.261 1.00 0.00 O ATOM 1009 CB ILE A 63 -11.236 -3.713 -7.547 1.00 0.00 C ATOM 1010 CG1 ILE A 63 -12.748 -3.803 -7.323 1.00 0.00 C ATOM 1011 CG2 ILE A 63 -10.930 -2.964 -8.835 1.00 0.00 C ATOM 1012 CD1 ILE A 63 -13.394 -2.480 -6.976 1.00 0.00 C ATOM 0 H ILE A 63 -11.074 -5.156 -5.535 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.182 -5.749 -8.263 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.797 -3.160 -6.716 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.216 -4.200 -8.224 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -12.945 -4.514 -6.521 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.379 -1.972 -8.794 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.851 -2.869 -8.953 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.341 -3.514 -9.682 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -14.465 -2.625 -6.832 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -12.954 -2.090 -6.058 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -13.229 -1.771 -7.787 1.00 0.00 H new ATOM 1024 N TYR A 64 -8.259 -4.705 -7.176 1.00 0.00 N ATOM 1025 CA TYR A 64 -6.837 -4.699 -7.497 1.00 0.00 C ATOM 1026 C TYR A 64 -6.353 -6.090 -7.884 1.00 0.00 C ATOM 1027 O TYR A 64 -5.705 -6.267 -8.917 1.00 0.00 O ATOM 1028 CB TYR A 64 -6.024 -4.166 -6.314 1.00 0.00 C ATOM 1029 CG TYR A 64 -4.529 -4.213 -6.530 1.00 0.00 C ATOM 1030 CD1 TYR A 64 -3.952 -3.484 -7.560 1.00 0.00 C ATOM 1031 CD2 TYR A 64 -3.732 -4.987 -5.698 1.00 0.00 C ATOM 1032 CE1 TYR A 64 -2.587 -3.527 -7.758 1.00 0.00 C ATOM 1033 CE2 TYR A 64 -2.365 -5.030 -5.896 1.00 0.00 C ATOM 1034 CZ TYR A 64 -1.793 -4.305 -6.921 1.00 0.00 C ATOM 1035 OH TYR A 64 -0.432 -4.348 -7.117 1.00 0.00 O ATOM 0 H TYR A 64 -8.475 -4.445 -6.214 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.690 -4.040 -8.352 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.321 -3.136 -6.116 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.272 -4.746 -5.425 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.572 -2.882 -8.208 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.180 -5.555 -4.896 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.137 -2.959 -8.559 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.744 -5.631 -5.248 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.223 -4.046 -8.026 1.00 0.00 H new ATOM 1045 N ASP A 65 -6.671 -7.076 -7.051 1.00 0.00 N ATOM 1046 CA ASP A 65 -6.189 -8.436 -7.254 1.00 0.00 C ATOM 1047 C ASP A 65 -6.768 -9.041 -8.528 1.00 0.00 C ATOM 1048 O ASP A 65 -6.163 -9.923 -9.138 1.00 0.00 O ATOM 1049 CB ASP A 65 -6.548 -9.318 -6.056 1.00 0.00 C ATOM 1050 CG ASP A 65 -5.773 -8.950 -4.797 1.00 0.00 C ATOM 1051 OD1 ASP A 65 -4.809 -8.231 -4.906 1.00 0.00 O ATOM 1052 OD2 ASP A 65 -6.154 -9.392 -3.740 1.00 0.00 O ATOM 0 H ASP A 65 -7.262 -6.957 -6.228 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.104 -8.390 -7.353 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.616 -9.234 -5.857 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.351 -10.360 -6.306 1.00 0.00 H new ATOM 1057 N GLN A 66 -7.940 -8.560 -8.926 1.00 0.00 N ATOM 1058 CA GLN A 66 -8.658 -9.130 -10.059 1.00 0.00 C ATOM 1059 C GLN A 66 -8.379 -8.351 -11.337 1.00 0.00 C ATOM 1060 O GLN A 66 -8.160 -8.935 -12.398 1.00 0.00 O ATOM 1061 CB GLN A 66 -10.164 -9.158 -9.782 1.00 0.00 C ATOM 1062 CG GLN A 66 -10.578 -10.131 -8.693 1.00 0.00 C ATOM 1063 CD GLN A 66 -12.066 -10.072 -8.398 1.00 0.00 C ATOM 1064 OE1 GLN A 66 -12.881 -9.842 -9.295 1.00 0.00 O ATOM 1065 NE2 GLN A 66 -12.427 -10.279 -7.137 1.00 0.00 N ATOM 0 H GLN A 66 -8.414 -7.775 -8.480 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.303 -10.151 -10.196 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -10.489 -8.156 -9.501 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.687 -9.417 -10.703 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -10.310 -11.144 -8.994 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.021 -9.911 -7.782 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.718 -10.466 -6.428 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.413 -10.251 -6.878 1.00 0.00 H new ATOM 1074 N TYR A 67 -8.388 -7.026 -11.229 1.00 0.00 N ATOM 1075 CA TYR A 67 -8.377 -6.161 -12.403 1.00 0.00 C ATOM 1076 C TYR A 67 -7.055 -5.415 -12.525 1.00 0.00 C ATOM 1077 O TYR A 67 -6.416 -5.431 -13.578 1.00 0.00 O ATOM 1078 CB TYR A 67 -9.542 -5.171 -12.351 1.00 0.00 C ATOM 1079 CG TYR A 67 -10.905 -5.827 -12.413 1.00 0.00 C ATOM 1080 CD1 TYR A 67 -11.384 -6.314 -13.619 1.00 0.00 C ATOM 1081 CD2 TYR A 67 -11.672 -5.941 -11.262 1.00 0.00 C ATOM 1082 CE1 TYR A 67 -12.629 -6.914 -13.675 1.00 0.00 C ATOM 1083 CE2 TYR A 67 -12.915 -6.539 -11.319 1.00 0.00 C ATOM 1084 CZ TYR A 67 -13.395 -7.025 -12.519 1.00 0.00 C ATOM 1085 OH TYR A 67 -14.632 -7.622 -12.576 1.00 0.00 O ATOM 0 H TYR A 67 -8.403 -6.528 -10.339 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.492 -6.792 -13.284 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -9.471 -4.589 -11.432 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -9.448 -4.470 -13.181 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -10.786 -6.225 -14.514 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -11.297 -5.562 -10.323 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -13.005 -7.295 -14.613 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.513 -6.627 -10.424 1.00 0.00 H new ATOM 0 HH TYR A 67 -15.037 -7.621 -11.684 1.00 0.00 H new ATOM 1095 N GLY A 68 -6.649 -4.760 -11.442 1.00 0.00 N ATOM 1096 CA GLY A 68 -5.340 -4.121 -11.381 1.00 0.00 C ATOM 1097 C GLY A 68 -5.421 -2.764 -10.692 1.00 0.00 C ATOM 1098 O GLY A 68 -6.482 -2.365 -10.210 1.00 0.00 O ATOM 0 H GLY A 68 -7.208 -4.658 -10.595 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.643 -4.764 -10.843 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.946 -3.997 -12.390 1.00 0.00 H new ATOM 1102 N LEU A 69 -4.296 -2.060 -10.648 1.00 0.00 N ATOM 1103 CA LEU A 69 -4.181 -0.848 -9.845 1.00 0.00 C ATOM 1104 C LEU A 69 -5.152 0.223 -10.322 1.00 0.00 C ATOM 1105 O LEU A 69 -5.942 0.752 -9.539 1.00 0.00 O ATOM 1106 CB LEU A 69 -2.747 -0.309 -9.901 1.00 0.00 C ATOM 1107 CG LEU A 69 -2.420 0.818 -8.913 1.00 0.00 C ATOM 1108 CD1 LEU A 69 -0.915 0.880 -8.691 1.00 0.00 C ATOM 1109 CD2 LEU A 69 -2.946 2.137 -9.458 1.00 0.00 C ATOM 0 H LEU A 69 -3.449 -2.308 -11.160 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.431 -1.104 -8.815 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.060 -1.136 -9.720 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.553 0.051 -10.911 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.901 0.624 -7.954 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.683 1.681 -7.989 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.568 -0.070 -8.285 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.415 1.074 -9.640 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.714 2.939 -8.757 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.475 2.347 -10.418 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.026 2.071 -9.590 1.00 0.00 H new ATOM 1121 N GLU A 70 -5.090 0.540 -11.610 1.00 0.00 N ATOM 1122 CA GLU A 70 -5.899 1.614 -12.175 1.00 0.00 C ATOM 1123 C GLU A 70 -7.376 1.409 -11.869 1.00 0.00 C ATOM 1124 O GLU A 70 -8.072 2.342 -11.468 1.00 0.00 O ATOM 1125 CB GLU A 70 -5.688 1.700 -13.690 1.00 0.00 C ATOM 1126 CG GLU A 70 -6.554 2.740 -14.386 1.00 0.00 C ATOM 1127 CD GLU A 70 -6.227 4.146 -13.969 1.00 0.00 C ATOM 1128 OE1 GLU A 70 -5.171 4.354 -13.421 1.00 0.00 O ATOM 1129 OE2 GLU A 70 -7.035 5.016 -14.199 1.00 0.00 O ATOM 0 H GLU A 70 -4.487 0.068 -12.284 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.580 2.549 -11.715 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.640 1.927 -13.887 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.891 0.723 -14.129 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.428 2.648 -15.465 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.603 2.536 -14.169 1.00 0.00 H new ATOM 1136 N ALA A 71 -7.851 0.183 -12.061 1.00 0.00 N ATOM 1137 CA ALA A 71 -9.249 -0.146 -11.809 1.00 0.00 C ATOM 1138 C ALA A 71 -9.608 0.060 -10.342 1.00 0.00 C ATOM 1139 O ALA A 71 -10.705 0.511 -10.018 1.00 0.00 O ATOM 1140 CB ALA A 71 -9.541 -1.579 -12.229 1.00 0.00 C ATOM 0 H ALA A 71 -7.287 -0.600 -12.391 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.865 0.528 -12.405 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.589 -1.809 -12.034 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.336 -1.695 -13.293 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.908 -2.261 -11.661 1.00 0.00 H new ATOM 1146 N ALA A 72 -8.673 -0.278 -9.458 1.00 0.00 N ATOM 1147 CA ALA A 72 -8.912 -0.190 -8.023 1.00 0.00 C ATOM 1148 C ALA A 72 -9.112 1.256 -7.584 1.00 0.00 C ATOM 1149 O ALA A 72 -10.087 1.578 -6.905 1.00 0.00 O ATOM 1150 CB ALA A 72 -7.756 -0.818 -7.255 1.00 0.00 C ATOM 0 H ALA A 72 -7.744 -0.615 -9.711 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.827 -0.740 -7.801 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.948 -0.745 -6.185 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.660 -1.867 -7.536 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.832 -0.292 -7.494 1.00 0.00 H new ATOM 1156 N ARG A 73 -8.186 2.123 -7.978 1.00 0.00 N ATOM 1157 CA ARG A 73 -8.205 3.514 -7.545 1.00 0.00 C ATOM 1158 C ARG A 73 -9.240 4.319 -8.321 1.00 0.00 C ATOM 1159 O ARG A 73 -9.584 5.437 -7.940 1.00 0.00 O ATOM 1160 CB ARG A 73 -6.834 4.150 -7.723 1.00 0.00 C ATOM 1161 CG ARG A 73 -6.374 4.282 -9.165 1.00 0.00 C ATOM 1162 CD ARG A 73 -5.057 4.964 -9.262 1.00 0.00 C ATOM 1163 NE ARG A 73 -4.617 5.099 -10.640 1.00 0.00 N ATOM 1164 CZ ARG A 73 -3.402 5.544 -11.014 1.00 0.00 C ATOM 1165 NH1 ARG A 73 -2.519 5.892 -10.104 1.00 0.00 N ATOM 1166 NH2 ARG A 73 -3.095 5.631 -12.298 1.00 0.00 N ATOM 0 H ARG A 73 -7.411 1.886 -8.598 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.473 3.524 -6.489 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.847 5.141 -7.269 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -6.101 3.558 -7.175 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.306 3.293 -9.617 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.116 4.842 -9.734 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.125 5.951 -8.804 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.314 4.401 -8.697 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.274 4.839 -11.376 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.754 5.825 -9.114 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.599 6.229 -10.388 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.779 5.361 -13.005 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.175 5.968 -12.581 1.00 0.00 H new ATOM 1180 N SER A 74 -9.733 3.742 -9.411 1.00 0.00 N ATOM 1181 CA SER A 74 -10.837 4.333 -10.158 1.00 0.00 C ATOM 1182 C SER A 74 -12.171 4.065 -9.472 1.00 0.00 C ATOM 1183 O SER A 74 -13.197 4.630 -9.850 1.00 0.00 O ATOM 1184 CB SER A 74 -10.865 3.784 -11.571 1.00 0.00 C ATOM 1185 OG SER A 74 -11.208 2.425 -11.575 1.00 0.00 O ATOM 0 H SER A 74 -9.385 2.864 -9.797 1.00 0.00 H new ATOM 0 HA SER A 74 -10.681 5.411 -10.193 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.583 4.346 -12.169 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.888 3.918 -12.036 1.00 0.00 H new ATOM 0 HG SER A 74 -11.064 2.049 -10.682 1.00 0.00 H new ATOM 1191 N GLY A 75 -12.150 3.202 -8.463 1.00 0.00 N ATOM 1192 CA GLY A 75 -13.370 2.792 -7.779 1.00 0.00 C ATOM 1193 C GLY A 75 -14.060 1.651 -8.519 1.00 0.00 C ATOM 1194 O GLY A 75 -15.276 1.485 -8.425 1.00 0.00 O ATOM 0 H GLY A 75 -11.299 2.772 -8.100 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.132 2.479 -6.762 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -14.049 3.641 -7.700 1.00 0.00 H new ATOM 1198 N GLY A 76 -13.276 0.869 -9.253 1.00 0.00 N ATOM 1199 CA GLY A 76 -13.821 -0.197 -10.083 1.00 0.00 C ATOM 1200 C GLY A 76 -13.581 0.078 -11.562 1.00 0.00 C ATOM 1201 O GLY A 76 -13.497 1.233 -11.983 1.00 0.00 O ATOM 0 H GLY A 76 -12.260 0.954 -9.290 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -13.362 -1.146 -9.808 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -14.891 -0.295 -9.898 1.00 0.00 H new ATOM 1205 N PRO A 77 -13.470 -0.988 -12.347 1.00 0.00 N ATOM 1206 CA PRO A 77 -13.281 -0.863 -13.787 1.00 0.00 C ATOM 1207 C PRO A 77 -14.564 -0.411 -14.475 1.00 0.00 C ATOM 1208 O PRO A 77 -15.664 -0.709 -14.011 1.00 0.00 O ATOM 1209 CB PRO A 77 -12.883 -2.281 -14.208 1.00 0.00 C ATOM 1210 CG PRO A 77 -13.567 -3.161 -13.217 1.00 0.00 C ATOM 1211 CD PRO A 77 -13.476 -2.403 -11.919 1.00 0.00 C ATOM 0 HA PRO A 77 -12.537 -0.115 -14.061 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -13.206 -2.500 -15.226 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -11.802 -2.416 -14.181 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -14.604 -3.345 -13.498 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -13.079 -4.133 -13.145 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -14.321 -2.622 -11.266 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -12.572 -2.659 -11.367 1.00 0.00 H new ATOM 1219 N SER A 78 -14.414 0.307 -15.582 1.00 0.00 N ATOM 1220 CA SER A 78 -15.561 0.800 -16.335 1.00 0.00 C ATOM 1221 C SER A 78 -16.529 1.554 -15.433 1.00 0.00 C ATOM 1222 O SER A 78 -16.181 2.580 -14.850 1.00 0.00 O ATOM 1223 CB SER A 78 -16.276 -0.352 -17.012 1.00 0.00 C ATOM 1224 OG SER A 78 -17.267 0.115 -17.883 1.00 0.00 O ATOM 0 H SER A 78 -13.509 0.561 -15.978 1.00 0.00 H new ATOM 0 HA SER A 78 -15.194 1.491 -17.094 1.00 0.00 H new ATOM 0 HB2 SER A 78 -15.557 -0.957 -17.564 1.00 0.00 H new ATOM 0 HB3 SER A 78 -16.725 -0.999 -16.259 1.00 0.00 H new ATOM 0 HG SER A 78 -17.713 -0.646 -18.309 1.00 0.00 H new ATOM 1230 N PHE A 79 -17.748 1.037 -15.320 1.00 0.00 N ATOM 1231 CA PHE A 79 -18.754 1.628 -14.445 1.00 0.00 C ATOM 1232 C PHE A 79 -19.101 0.692 -13.295 1.00 0.00 C ATOM 1233 O PHE A 79 -20.216 0.719 -12.774 1.00 0.00 O ATOM 1234 CB PHE A 79 -20.019 1.963 -15.236 1.00 0.00 C ATOM 1235 CG PHE A 79 -19.801 2.967 -16.331 1.00 0.00 C ATOM 1236 CD1 PHE A 79 -19.714 2.562 -17.656 1.00 0.00 C ATOM 1237 CD2 PHE A 79 -19.680 4.318 -16.042 1.00 0.00 C ATOM 1238 CE1 PHE A 79 -19.513 3.485 -18.665 1.00 0.00 C ATOM 1239 CE2 PHE A 79 -19.480 5.242 -17.049 1.00 0.00 C ATOM 1240 CZ PHE A 79 -19.396 4.825 -18.363 1.00 0.00 C ATOM 0 H PHE A 79 -18.063 0.208 -15.824 1.00 0.00 H new ATOM 0 HA PHE A 79 -18.336 2.545 -14.030 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -20.418 1.046 -15.670 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -20.775 2.346 -14.550 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -19.804 1.514 -17.901 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -19.743 4.652 -15.017 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -19.448 3.156 -19.692 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -19.389 6.291 -16.809 1.00 0.00 H new ATOM 0 HZ PHE A 79 -19.239 5.546 -19.151 1.00 0.00 H new ATOM 1250 N GLY A 80 -18.139 -0.137 -12.901 1.00 0.00 N ATOM 1251 CA GLY A 80 -18.330 -1.057 -11.788 1.00 0.00 C ATOM 1252 C GLY A 80 -17.858 -2.461 -12.145 1.00 0.00 C ATOM 1253 O GLY A 80 -18.013 -2.907 -13.282 1.00 0.00 O ATOM 0 H GLY A 80 -17.219 -0.189 -13.338 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -17.782 -0.697 -10.917 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -19.384 -1.084 -11.512 1.00 0.00 H new ATOM 1257 N PRO A 81 -17.281 -3.153 -11.169 1.00 0.00 N ATOM 1258 CA PRO A 81 -16.776 -4.505 -11.383 1.00 0.00 C ATOM 1259 C PRO A 81 -17.915 -5.515 -11.442 1.00 0.00 C ATOM 1260 O PRO A 81 -18.550 -5.645 -12.452 1.00 0.00 O ATOM 1261 CB PRO A 81 -15.879 -4.734 -10.161 1.00 0.00 C ATOM 1262 CG PRO A 81 -16.500 -3.902 -9.090 1.00 0.00 C ATOM 1263 CD PRO A 81 -16.983 -2.668 -9.807 1.00 0.00 C ATOM 1264 OXT PRO A 81 -18.176 -6.180 -10.479 1.00 0.00 O ATOM 0 HA PRO A 81 -16.245 -4.624 -12.327 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -15.849 -5.787 -9.880 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -14.852 -4.428 -10.358 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -17.323 -4.428 -8.605 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -15.779 -3.653 -8.312 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -17.867 -2.247 -9.329 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -16.223 -1.887 -9.817 1.00 0.00 H new TER 1272 PRO A 81